--- _id: '12920' abstract: - lang: eng text: The multicomponent approach allows to incorporate several functionalities into a single covalent organic framework (COF) and consequently allows the construction of bifunctional materials for cooperative catalysis. The well-defined structure of such multicomponent COFs is furthermore ideally suited for structure-activity relationship studies. We report a series of multicomponent COFs that contain acridine- and 2,2’-bipyridine linkers connected through 1,3,5-benzenetrialdehyde derivatives. The acridine motif is responsible for broad light absorption, while the bipyridine unit enables complexation of nickel catalysts. These features enable the usage of the framework materials as catalysts for light-mediated carbon−heteroatom cross-couplings. Variation of the node units shows that the catalytic activity correlates to the keto-enamine tautomer isomerism. This allows switching between high charge-carrier mobility and persistent, localized charge-separated species depending on the nodes, a tool to tailor the materials for specific reactions. Moreover, nickel-loaded COFs are recyclable and catalyze cross-couplings even using red light irradiation. article_number: e202202967 article_processing_charge: No article_type: original author: - first_name: Michael full_name: Traxler, Michael last_name: Traxler - first_name: Susanne full_name: Reischauer, Susanne last_name: Reischauer - first_name: Sarah full_name: Vogl, Sarah last_name: Vogl - first_name: Jérôme full_name: Roeser, Jérôme last_name: Roeser - first_name: Jabor full_name: Rabeah, Jabor last_name: Rabeah - first_name: Christopher full_name: Penschke, Christopher last_name: Penschke - first_name: Peter full_name: Saalfrank, Peter last_name: Saalfrank - first_name: Bartholomäus full_name: Pieber, Bartholomäus id: 93e5e5b2-0da6-11ed-8a41-af589a024726 last_name: Pieber orcid: 0000-0001-8689-388X - first_name: Arne full_name: Thomas, Arne last_name: Thomas citation: ama: Traxler M, Reischauer S, Vogl S, et al. Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts. Chemistry – A European Journal. 2023;29(4). doi:10.1002/chem.202202967 apa: Traxler, M., Reischauer, S., Vogl, S., Roeser, J., Rabeah, J., Penschke, C., … Thomas, A. (2023). Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts. Chemistry – A European Journal. Wiley. https://doi.org/10.1002/chem.202202967 chicago: Traxler, Michael, Susanne Reischauer, Sarah Vogl, Jérôme Roeser, Jabor Rabeah, Christopher Penschke, Peter Saalfrank, Bartholomäus Pieber, and Arne Thomas. “Programmable Photocatalytic Activity of Multicomponent Covalent Organic Frameworks Used as Metallaphotocatalysts.” Chemistry – A European Journal. Wiley, 2023. https://doi.org/10.1002/chem.202202967. ieee: M. Traxler et al., “Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts,” Chemistry – A European Journal, vol. 29, no. 4. Wiley, 2023. ista: Traxler M, Reischauer S, Vogl S, Roeser J, Rabeah J, Penschke C, Saalfrank P, Pieber B, Thomas A. 2023. Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts. Chemistry – A European Journal. 29(4), e202202967. mla: Traxler, Michael, et al. “Programmable Photocatalytic Activity of Multicomponent Covalent Organic Frameworks Used as Metallaphotocatalysts.” Chemistry – A European Journal, vol. 29, no. 4, e202202967, Wiley, 2023, doi:10.1002/chem.202202967. short: M. Traxler, S. Reischauer, S. Vogl, J. Roeser, J. Rabeah, C. Penschke, P. Saalfrank, B. Pieber, A. Thomas, Chemistry – A European Journal 29 (2023). date_created: 2023-05-08T08:25:34Z date_published: 2023-01-18T00:00:00Z date_updated: 2023-05-15T08:39:24Z day: '18' doi: 10.1002/chem.202202967 extern: '1' intvolume: ' 29' issue: '4' keyword: - General Chemistry - Catalysis - Organic Chemistry language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1002/chem.202202967 month: '01' oa: 1 oa_version: Published Version publication: Chemistry – A European Journal publication_identifier: eissn: - 1521-3765 issn: - 0947-6539 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 29 year: '2023' ... --- _id: '12921' abstract: - lang: eng text: Visible-light photocatalysis provides numerous useful methodologies for synthetic organic chemistry. However, the mechanisms of these reactions are often not fully understood. Common mechanistic experiments mainly aim to characterize excited state properties of photocatalysts and their interaction with other species. Recently, in situ reaction monitoring using dedicated techniques was shown to be well-suited for the identification of intermediates and to obtain kinetic insights, thereby providing more holistic pictures of the reactions of interest. This minireview surveys these technologies and discusses selected examples where reaction monitoring was used to elucidate the mechanism of photocatalytic reactions. article_number: e202201583 article_processing_charge: No article_type: original author: - first_name: Amiera full_name: Madani, Amiera last_name: Madani - first_name: Bartholomäus full_name: Pieber, Bartholomäus id: 93e5e5b2-0da6-11ed-8a41-af589a024726 last_name: Pieber orcid: 0000-0001-8689-388X citation: ama: Madani A, Pieber B. In situ reaction monitoring in photocatalytic organic synthesis. ChemCatChem. 2023;15(7). doi:10.1002/cctc.202201583 apa: Madani, A., & Pieber, B. (2023). In situ reaction monitoring in photocatalytic organic synthesis. ChemCatChem. Wiley. https://doi.org/10.1002/cctc.202201583 chicago: Madani, Amiera, and Bartholomäus Pieber. “In Situ Reaction Monitoring in Photocatalytic Organic Synthesis.” ChemCatChem. Wiley, 2023. https://doi.org/10.1002/cctc.202201583. ieee: A. Madani and B. Pieber, “In situ reaction monitoring in photocatalytic organic synthesis,” ChemCatChem, vol. 15, no. 7. Wiley, 2023. ista: Madani A, Pieber B. 2023. In situ reaction monitoring in photocatalytic organic synthesis. ChemCatChem. 15(7), e202201583. mla: Madani, Amiera, and Bartholomäus Pieber. “In Situ Reaction Monitoring in Photocatalytic Organic Synthesis.” ChemCatChem, vol. 15, no. 7, e202201583, Wiley, 2023, doi:10.1002/cctc.202201583. short: A. Madani, B. Pieber, ChemCatChem 15 (2023). date_created: 2023-05-08T08:25:55Z date_published: 2023-04-06T00:00:00Z date_updated: 2023-05-15T08:35:48Z day: '06' doi: 10.1002/cctc.202201583 extern: '1' intvolume: ' 15' issue: '7' keyword: - Inorganic Chemistry - Organic Chemistry - Physical and Theoretical Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1002/cctc.202201583 month: '04' oa: 1 oa_version: Published Version publication: ChemCatChem publication_identifier: eissn: - 1867-3899 issn: - 1867-3880 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: In situ reaction monitoring in photocatalytic organic synthesis type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 15 year: '2023' ... --- _id: '12919' abstract: - lang: eng text: We report the visible light photocatalytic cleavage of trityl thioethers or ethers under pH-neutral conditions. The method results in the formation of the respective symmetrical disulfides and alcohols in moderate to excellent yield. The protocol only requires the addition of a suitable photocatalyst and light rendering it orthogonal to several functionalities, including acid labile protective groups. The same conditions can be used to directly convert trityl-protected thiols into unsymmetrical disulfides or selenosulfides, and to cleave trityl resins in solid phase organic synthesis. article_processing_charge: No article_type: original author: - first_name: Sho full_name: Murakami, Sho last_name: Murakami - first_name: Cosima full_name: Brudy, Cosima last_name: Brudy - first_name: Moritz full_name: Bachmann, Moritz last_name: Bachmann - first_name: Yoshiji full_name: Takemoto, Yoshiji last_name: Takemoto - first_name: Bartholomäus full_name: Pieber, Bartholomäus id: 93e5e5b2-0da6-11ed-8a41-af589a024726 last_name: Pieber orcid: 0000-0001-8689-388X citation: ama: Murakami S, Brudy C, Bachmann M, Takemoto Y, Pieber B. Photocatalytic cleavage of trityl protected thiols and alcohols. Synthesis. 2023;55(09):1367-1374. doi:10.1055/a-1979-5933 apa: Murakami, S., Brudy, C., Bachmann, M., Takemoto, Y., & Pieber, B. (2023). Photocatalytic cleavage of trityl protected thiols and alcohols. Synthesis. Georg Thieme Verlag. https://doi.org/10.1055/a-1979-5933 chicago: Murakami, Sho, Cosima Brudy, Moritz Bachmann, Yoshiji Takemoto, and Bartholomäus Pieber. “Photocatalytic Cleavage of Trityl Protected Thiols and Alcohols.” Synthesis. Georg Thieme Verlag, 2023. https://doi.org/10.1055/a-1979-5933. ieee: S. Murakami, C. Brudy, M. Bachmann, Y. Takemoto, and B. Pieber, “Photocatalytic cleavage of trityl protected thiols and alcohols,” Synthesis, vol. 55, no. 09. Georg Thieme Verlag, pp. 1367–1374, 2023. ista: Murakami S, Brudy C, Bachmann M, Takemoto Y, Pieber B. 2023. Photocatalytic cleavage of trityl protected thiols and alcohols. Synthesis. 55(09), 1367–1374. mla: Murakami, Sho, et al. “Photocatalytic Cleavage of Trityl Protected Thiols and Alcohols.” Synthesis, vol. 55, no. 09, Georg Thieme Verlag, 2023, pp. 1367–74, doi:10.1055/a-1979-5933. short: S. Murakami, C. Brudy, M. Bachmann, Y. Takemoto, B. Pieber, Synthesis 55 (2023) 1367–1374. date_created: 2023-05-08T08:25:08Z date_published: 2023-05-01T00:00:00Z date_updated: 2023-05-15T08:43:50Z day: '01' doi: 10.1055/a-1979-5933 extern: '1' intvolume: ' 55' issue: '09' keyword: - Organic Chemistry - Catalysis language: - iso: eng month: '05' oa_version: None page: 1367-1374 publication: Synthesis publication_identifier: eissn: - 1437-210X issn: - 0039-7881 publication_status: published publisher: Georg Thieme Verlag quality_controlled: '1' scopus_import: '1' status: public title: Photocatalytic cleavage of trityl protected thiols and alcohols type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 55 year: '2023' ... --- _id: '13354' abstract: - lang: eng text: 'Integrating light-sensitive molecules within nanoparticle (NP) assemblies is an attractive approach to fabricate new photoresponsive nanomaterials. Here, we describe the concept of photocleavable anionic glue (PAG): small trianions capable of mediating interactions between (and inducing the aggregation of) cationic NPs by means of electrostatic interactions. Exposure to light converts PAGs into dianionic products incapable of maintaining the NPs in an assembled state, resulting in light-triggered disassembly of NP aggregates. To demonstrate the proof-of-concept, we work with an organic PAG incorporating the UV-cleavable o-nitrobenzyl moiety and an inorganic PAG, the photosensitive trioxalatocobaltate(III) complex, which absorbs light across the entire visible spectrum. Both PAGs were used to prepare either amorphous NP assemblies or regular superlattices with a long-range NP order. These NP aggregates disassembled rapidly upon light exposure for a specific time, which could be tuned by the incident light wavelength or the amount of PAG used. Selective excitation of the inorganic PAG in a system combining the two PAGs results in a photodecomposition product that deactivates the organic PAG, enabling nontrivial disassembly profiles under a single type of external stimulus.' article_processing_charge: No article_type: original author: - first_name: Jinhua full_name: Wang, Jinhua last_name: Wang - first_name: Tzuf Shay full_name: Peled, Tzuf Shay last_name: Peled - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Wang J, Peled TS, Klajn R. Photocleavable anionic glues for light-responsive nanoparticle aggregates. Journal of the American Chemical Society. 2023;145(7):4098-4108. doi:10.1021/jacs.2c11973 apa: Wang, J., Peled, T. S., & Klajn, R. (2023). Photocleavable anionic glues for light-responsive nanoparticle aggregates. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.2c11973 chicago: Wang, Jinhua, Tzuf Shay Peled, and Rafal Klajn. “Photocleavable Anionic Glues for Light-Responsive Nanoparticle Aggregates.” Journal of the American Chemical Society. American Chemical Society, 2023. https://doi.org/10.1021/jacs.2c11973. ieee: J. Wang, T. S. Peled, and R. Klajn, “Photocleavable anionic glues for light-responsive nanoparticle aggregates,” Journal of the American Chemical Society, vol. 145, no. 7. American Chemical Society, pp. 4098–4108, 2023. ista: Wang J, Peled TS, Klajn R. 2023. Photocleavable anionic glues for light-responsive nanoparticle aggregates. Journal of the American Chemical Society. 145(7), 4098–4108. mla: Wang, Jinhua, et al. “Photocleavable Anionic Glues for Light-Responsive Nanoparticle Aggregates.” Journal of the American Chemical Society, vol. 145, no. 7, American Chemical Society, 2023, pp. 4098–108, doi:10.1021/jacs.2c11973. short: J. Wang, T.S. Peled, R. Klajn, Journal of the American Chemical Society 145 (2023) 4098–4108. date_created: 2023-08-01T09:33:08Z date_published: 2023-02-09T00:00:00Z date_updated: 2023-08-02T10:44:22Z day: '09' doi: 10.1021/jacs.2c11973 extern: '1' external_id: pmid: - '36757850' intvolume: ' 145' issue: '7' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/jacs.2c11973 month: '02' oa: 1 oa_version: Published Version page: 4098-4108 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Photocleavable anionic glues for light-responsive nanoparticle aggregates type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 145 year: '2023' ... --- _id: '12922' abstract: - lang: eng text: The influence of structural modifications on the catalytic activity of carbon materials is poorly understood. A collection of carbonaceous materials with different pore networks and high nitrogen content was characterized and used to catalyze four reactions to deduce structure–activity relationships. The CO2 cycloaddition and Knoevenagel reaction depend on Lewis basic sites (electron-rich nitrogen species). The absence of large conjugated carbon domains resulting from the introduction of large amounts of nitrogen in the carbon network is responsible for poor redox activity, as observed through the catalytic reduction of nitrobenzene with hydrazine and the catalytic oxidation of 3,3′,5,5′-tetramethylbenzidine using hydroperoxide. The material with the highest activity towards Lewis acid catalysis (in the hydrolysis of (dimethoxymethyl)benzene to benzaldehyde) is the most effective for small molecule activation and presents the highest concentration of electron-poor nitrogen species. article_number: e202211663 article_processing_charge: No article_type: original author: - first_name: Enrico full_name: Lepre, Enrico last_name: Lepre - first_name: Sylvain full_name: Rat, Sylvain last_name: Rat - first_name: Cristian full_name: Cavedon, Cristian last_name: Cavedon - first_name: Peter H. full_name: Seeberger, Peter H. last_name: Seeberger - first_name: Bartholomäus full_name: Pieber, Bartholomäus id: 93e5e5b2-0da6-11ed-8a41-af589a024726 last_name: Pieber orcid: 0000-0001-8689-388X - first_name: Markus full_name: Antonietti, Markus last_name: Antonietti - first_name: Nieves full_name: López‐Salas, Nieves last_name: López‐Salas citation: ama: Lepre E, Rat S, Cavedon C, et al. Catalytic properties of high nitrogen content carbonaceous materials. Angewandte Chemie International Edition. 2023;62(2). doi:10.1002/anie.202211663 apa: Lepre, E., Rat, S., Cavedon, C., Seeberger, P. H., Pieber, B., Antonietti, M., & López‐Salas, N. (2023). Catalytic properties of high nitrogen content carbonaceous materials. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.202211663 chicago: Lepre, Enrico, Sylvain Rat, Cristian Cavedon, Peter H. Seeberger, Bartholomäus Pieber, Markus Antonietti, and Nieves López‐Salas. “Catalytic Properties of High Nitrogen Content Carbonaceous Materials.” Angewandte Chemie International Edition. Wiley, 2023. https://doi.org/10.1002/anie.202211663. ieee: E. Lepre et al., “Catalytic properties of high nitrogen content carbonaceous materials,” Angewandte Chemie International Edition, vol. 62, no. 2. Wiley, 2023. ista: Lepre E, Rat S, Cavedon C, Seeberger PH, Pieber B, Antonietti M, López‐Salas N. 2023. Catalytic properties of high nitrogen content carbonaceous materials. Angewandte Chemie International Edition. 62(2), e202211663. mla: Lepre, Enrico, et al. “Catalytic Properties of High Nitrogen Content Carbonaceous Materials.” Angewandte Chemie International Edition, vol. 62, no. 2, e202211663, Wiley, 2023, doi:10.1002/anie.202211663. short: E. Lepre, S. Rat, C. Cavedon, P.H. Seeberger, B. Pieber, M. Antonietti, N. López‐Salas, Angewandte Chemie International Edition 62 (2023). date_created: 2023-05-08T08:28:14Z date_published: 2023-01-09T00:00:00Z date_updated: 2023-08-21T09:18:12Z day: '09' doi: 10.1002/anie.202211663 extern: '1' intvolume: ' 62' issue: '2' keyword: - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1002/anie.202211663 month: '01' oa: 1 oa_version: Published Version publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: Catalytic properties of high nitrogen content carbonaceous materials type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 62 year: '2023' ... --- _id: '13216' abstract: - lang: eng text: Physical catalysts often have multiple sites where reactions can take place. One prominent example is single-atom alloys, where the reactive dopant atoms can preferentially locate in the bulk or at different sites on the surface of the nanoparticle. However, ab initio modeling of catalysts usually only considers one site of the catalyst, neglecting the effects of multiple sites. Here, nanoparticles of copper doped with single-atom rhodium or palladium are modeled for the dehydrogenation of propane. Single-atom alloy nanoparticles are simulated at 400–600 K, using machine learning potentials trained on density functional theory calculations, and then the occupation of different single-atom active sites is identified using a similarity kernel. Further, the turnover frequency for all possible sites is calculated for propane dehydrogenation to propene through microkinetic modeling using density functional theory calculations. The total turnover frequencies of the whole nanoparticle are then described from both the population and the individual turnover frequency of each site. Under operating conditions, rhodium as a dopant is found to almost exclusively occupy (111) surface sites while palladium as a dopant occupies a greater variety of facets. Undercoordinated dopant surface sites are found to tend to be more reactive for propane dehydrogenation compared to the (111) surface. It is found that considering the dynamics of the single-atom alloy nanoparticle has a profound effect on the calculated catalytic activity of single-atom alloys by several orders of magnitude. acknowledgement: "B.C. acknowledges resources provided by the Cambridge Tier2 system operated by the University of Cambridge Research\r\nComputing Service funded by EPSRC Tier-2 capital grant EP/\r\nP020259/1." article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Rhys full_name: Bunting, Rhys id: 91deeae8-1207-11ec-b130-c194ad5b50c6 last_name: Bunting orcid: 0000-0001-6928-074X - first_name: Felix full_name: Wodaczek, Felix id: 8b4b6a9f-32b0-11ee-9fa8-bbe85e26258e last_name: Wodaczek orcid: 0009-0000-1457-795X - first_name: Tina full_name: Torabi, Tina last_name: Torabi - first_name: Bingqing full_name: Cheng, Bingqing id: cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9 last_name: Cheng orcid: 0000-0002-3584-9632 citation: ama: 'Bunting R, Wodaczek F, Torabi T, Cheng B. Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. 2023;145(27):14894-14902. doi:10.1021/jacs.3c04030' apa: 'Bunting, R., Wodaczek, F., Torabi, T., & Cheng, B. (2023). Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.3c04030' chicago: 'Bunting, Rhys, Felix Wodaczek, Tina Torabi, and Bingqing Cheng. “Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane.” Journal of the American Chemical Society. American Chemical Society, 2023. https://doi.org/10.1021/jacs.3c04030.' ieee: 'R. Bunting, F. Wodaczek, T. Torabi, and B. Cheng, “Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane,” Journal of the American Chemical Society, vol. 145, no. 27. American Chemical Society, pp. 14894–14902, 2023.' ista: 'Bunting R, Wodaczek F, Torabi T, Cheng B. 2023. Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. 145(27), 14894–14902.' mla: 'Bunting, Rhys, et al. “Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane.” Journal of the American Chemical Society, vol. 145, no. 27, American Chemical Society, 2023, pp. 14894–902, doi:10.1021/jacs.3c04030.' short: R. Bunting, F. Wodaczek, T. Torabi, B. Cheng, Journal of the American Chemical Society 145 (2023) 14894–14902. date_created: 2023-07-12T09:16:40Z date_published: 2023-06-30T00:00:00Z date_updated: 2023-10-11T08:45:10Z day: '30' ddc: - '540' department: - _id: MaIb - _id: BiCh doi: 10.1021/jacs.3c04030 external_id: isi: - '001020623900001' pmid: - '37390457' file: - access_level: open_access checksum: e07d5323f9c0e5cbd1ad6453f29440ab content_type: application/pdf creator: cchlebak date_created: 2023-07-12T10:22:04Z date_updated: 2023-07-12T10:22:04Z file_id: '13219' file_name: 2023_JACS_Bunting.pdf file_size: 3155843 relation: main_file success: 1 file_date_updated: 2023-07-12T10:22:04Z has_accepted_license: '1' intvolume: ' 145' isi: 1 issue: '27' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '06' oa: 1 oa_version: Published Version page: 14894-14902 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: 'Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane' tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 8b945eb4-e2f2-11eb-945a-df72226e66a9 volume: 145 year: '2023' ... --- _id: '14776' abstract: - lang: eng text: Soluble chaperones residing in the endoplasmic reticulum (ER) play vitally important roles in folding and quality control of newly synthesized proteins that transiently pass through the ER en route to their final destinations. These soluble residents of the ER are themselves endowed with an ER retrieval signal that enables the cell to bring the escaped residents back from the Golgi. Here, by using purified proteins, we showed that Nicotiana tabacum phytaspase, a plant aspartate-specific protease, introduces two breaks at the C-terminus of the N. tabacum ER resident calreticulin-3. These cleavages resulted in removal of either a dipeptide or a hexapeptide from the C-terminus of calreticulin-3 encompassing part or all of the ER retrieval signal. Consistently, expression of the calreticulin-3 derivative mimicking the phytaspase cleavage product in Nicotiana benthamiana cells demonstrated loss of the ER accumulation of the protein. Notably, upon its escape from the ER, calreticulin-3 was further processed by an unknown protease(s) to generate the free N-terminal (N) domain of calreticulin-3, which was ultimately secreted into the apoplast. Our study thus identified a specific proteolytic enzyme capable of precise detachment of the ER retrieval signal from a plant ER resident protein, with implications for the further fate of the escaped resident. acknowledgement: "We thank C.U.T. Hellen for critically reading the manuscript. The MALDI MS facility and CLSM became available to us in the framework of Moscow State University Development Programs PNG 5.13 and PNR 5.13.\r\nThis work was funded by the Russian Science Foundation, grant numbers 19-14-00010 and 22-14-00071." article_number: '16527' article_processing_charge: Yes article_type: original author: - first_name: Anastasiia full_name: Teplova, Anastasiia id: e3736151-106c-11ec-b916-c2558e2762c6 last_name: Teplova - first_name: Artemii A. full_name: Pigidanov, Artemii A. last_name: Pigidanov - first_name: Marina V. full_name: Serebryakova, Marina V. last_name: Serebryakova - first_name: Sergei A. full_name: Golyshev, Sergei A. last_name: Golyshev - first_name: Raisa A. full_name: Galiullina, Raisa A. last_name: Galiullina - first_name: Nina V. full_name: Chichkova, Nina V. last_name: Chichkova - first_name: Andrey B. full_name: Vartapetian, Andrey B. last_name: Vartapetian citation: ama: Teplova A, Pigidanov AA, Serebryakova MV, et al. Phytaspase Is capable of detaching the endoplasmic reticulum retrieval signal from tobacco calreticulin-3. International Journal of Molecular Sciences. 2023;24(22). doi:10.3390/ijms242216527 apa: Teplova, A., Pigidanov, A. A., Serebryakova, M. V., Golyshev, S. A., Galiullina, R. A., Chichkova, N. V., & Vartapetian, A. B. (2023). Phytaspase Is capable of detaching the endoplasmic reticulum retrieval signal from tobacco calreticulin-3. International Journal of Molecular Sciences. MDPI. https://doi.org/10.3390/ijms242216527 chicago: Teplova, Anastasiia, Artemii A. Pigidanov, Marina V. Serebryakova, Sergei A. Golyshev, Raisa A. Galiullina, Nina V. Chichkova, and Andrey B. Vartapetian. “Phytaspase Is Capable of Detaching the Endoplasmic Reticulum Retrieval Signal from Tobacco Calreticulin-3.” International Journal of Molecular Sciences. MDPI, 2023. https://doi.org/10.3390/ijms242216527. ieee: A. Teplova et al., “Phytaspase Is capable of detaching the endoplasmic reticulum retrieval signal from tobacco calreticulin-3,” International Journal of Molecular Sciences, vol. 24, no. 22. MDPI, 2023. ista: Teplova A, Pigidanov AA, Serebryakova MV, Golyshev SA, Galiullina RA, Chichkova NV, Vartapetian AB. 2023. Phytaspase Is capable of detaching the endoplasmic reticulum retrieval signal from tobacco calreticulin-3. International Journal of Molecular Sciences. 24(22), 16527. mla: Teplova, Anastasiia, et al. “Phytaspase Is Capable of Detaching the Endoplasmic Reticulum Retrieval Signal from Tobacco Calreticulin-3.” International Journal of Molecular Sciences, vol. 24, no. 22, 16527, MDPI, 2023, doi:10.3390/ijms242216527. short: A. Teplova, A.A. Pigidanov, M.V. Serebryakova, S.A. Golyshev, R.A. Galiullina, N.V. Chichkova, A.B. Vartapetian, International Journal of Molecular Sciences 24 (2023). date_created: 2024-01-10T09:24:35Z date_published: 2023-11-01T00:00:00Z date_updated: 2024-01-10T13:41:10Z day: '01' ddc: - '580' department: - _id: JiFr doi: 10.3390/ijms242216527 external_id: isi: - '001113792600001' pmid: - '38003717' file: - access_level: open_access checksum: 4df7d206ba022b7f54eff1f0aec1659a content_type: application/pdf creator: dernst date_created: 2024-01-10T13:39:42Z date_updated: 2024-01-10T13:39:42Z file_id: '14791' file_name: 2023_IJMS_Teplova.pdf file_size: 2637784 relation: main_file success: 1 file_date_updated: 2024-01-10T13:39:42Z has_accepted_license: '1' intvolume: ' 24' isi: 1 issue: '22' keyword: - Inorganic Chemistry - Organic Chemistry - Physical and Theoretical Chemistry - Computer Science Applications - Spectroscopy - Molecular Biology - General Medicine - Catalysis language: - iso: eng month: '11' oa: 1 oa_version: Published Version pmid: 1 publication: International Journal of Molecular Sciences publication_identifier: issn: - 1422-0067 publication_status: published publisher: MDPI quality_controlled: '1' status: public title: Phytaspase Is capable of detaching the endoplasmic reticulum retrieval signal from tobacco calreticulin-3 tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 24 year: '2023' ... --- _id: '14861' abstract: - lang: eng text: Cover Page article_number: ' e202304138' article_processing_charge: No author: - first_name: Lea Marie full_name: Becker, Lea Marie id: 36336939-eb97-11eb-a6c2-c83f1214ca79 last_name: Becker orcid: 0000-0002-6401-5151 - first_name: Mélanie full_name: Berbon, Mélanie last_name: Berbon - first_name: Alicia full_name: Vallet, Alicia last_name: Vallet - first_name: Axelle full_name: Grelard, Axelle last_name: Grelard - first_name: Estelle full_name: Morvan, Estelle last_name: Morvan - first_name: Benjamin full_name: Bardiaux, Benjamin last_name: Bardiaux - first_name: Roman full_name: Lichtenecker, Roman last_name: Lichtenecker - first_name: Matthias full_name: Ernst, Matthias last_name: Ernst - first_name: Antoine full_name: Loquet, Antoine last_name: Loquet - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 citation: ama: 'Becker LM, Berbon M, Vallet A, et al. Cover Picture: The Rigid Core and Flexible Surface of Amyloid Fibrils Probed by Magic‐Angle‐Spinning NMR Spectroscopy of Aromatic Residues. Vol 62. Wiley; 2023. doi:10.1002/anie.202304138' apa: 'Becker, L. M., Berbon, M., Vallet, A., Grelard, A., Morvan, E., Bardiaux, B., … Schanda, P. (2023). Cover Picture: The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle‐Spinning NMR spectroscopy of aromatic residues. Angewandte Chemie International Edition (Vol. 62). Wiley. https://doi.org/10.1002/anie.202304138' chicago: 'Becker, Lea Marie, Mélanie Berbon, Alicia Vallet, Axelle Grelard, Estelle Morvan, Benjamin Bardiaux, Roman Lichtenecker, Matthias Ernst, Antoine Loquet, and Paul Schanda. Cover Picture: The Rigid Core and Flexible Surface of Amyloid Fibrils Probed by Magic‐Angle‐Spinning NMR Spectroscopy of Aromatic Residues. Angewandte Chemie International Edition. Vol. 62. Wiley, 2023. https://doi.org/10.1002/anie.202304138.' ieee: 'L. M. Becker et al., Cover Picture: The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle‐Spinning NMR spectroscopy of aromatic residues, vol. 62, no. 19. Wiley, 2023.' ista: 'Becker LM, Berbon M, Vallet A, Grelard A, Morvan E, Bardiaux B, Lichtenecker R, Ernst M, Loquet A, Schanda P. 2023. Cover Picture: The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle‐Spinning NMR spectroscopy of aromatic residues, Wiley,p.' mla: 'Becker, Lea Marie, et al. “Cover Picture: The Rigid Core and Flexible Surface of Amyloid Fibrils Probed by Magic‐Angle‐Spinning NMR Spectroscopy of Aromatic Residues.” Angewandte Chemie International Edition, vol. 62, no. 19, e202304138, Wiley, 2023, doi:10.1002/anie.202304138.' short: 'L.M. Becker, M. Berbon, A. Vallet, A. Grelard, E. Morvan, B. Bardiaux, R. Lichtenecker, M. Ernst, A. Loquet, P. Schanda, Cover Picture: The Rigid Core and Flexible Surface of Amyloid Fibrils Probed by Magic‐Angle‐Spinning NMR Spectroscopy of Aromatic Residues, Wiley, 2023.' date_created: 2024-01-22T11:54:34Z date_published: 2023-05-02T00:00:00Z date_updated: 2024-01-23T08:48:14Z day: '02' department: - _id: PaSc doi: 10.1002/anie.202304138 intvolume: ' 62' issue: '19' keyword: - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1002/anie.202304138 month: '05' oa: 1 oa_version: Published Version publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley related_material: link: - relation: translation url: https://doi.org/10.1002/ange.202304138 record: - id: '12675' relation: other status: public status: public title: 'Cover Picture: The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle‐Spinning NMR spectroscopy of aromatic residues' type: other_academic_publication user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 62 year: '2023' ... --- _id: '14687' abstract: - lang: eng text: The short history of research on Li-O2 batteries has seen a remarkable number of mechanistic U-turns over the years. From the initial use of carbonate electrolytes, that were then found to be entirely unsuitable, to the belief that (su)peroxide was solely responsible for degradation, before the more reactive singlet oxygen was found to form, to the hypothesis that capacity depends on a competing surface/solution mechanism before a practically exclusive solution mechanism was identified. Herein, we argue for an ever-fresh look at the reported data without bias towards supposedly established explanations. We explain how the latest findings on rate and capacity limits, as well as the origin of side reactions, are connected via the disproportionation (DISP) step in the (dis)charge mechanism. Therefrom, directions emerge for the design of electrolytes and mediators on how to suppress side reactions and to enable high rate and high reversible capacity. article_number: e202316476 article_processing_charge: Yes (via OA deal) article_type: review author: - first_name: Rajesh B full_name: Jethwa, Rajesh B id: 4cc538d5-803f-11ed-ab7e-8139573aad8f last_name: Jethwa orcid: 0000-0002-0404-4356 - first_name: Soumyadip full_name: Mondal, Soumyadip id: d25d21ef-dc8d-11ea-abe3-ec4576307f48 last_name: Mondal - first_name: Bhargavi full_name: Pant, Bhargavi id: 50c64d4d-eb97-11eb-a6c2-d33e5e14f112 last_name: Pant - first_name: Stefan Alexander full_name: Freunberger, Stefan Alexander id: A8CA28E6-CE23-11E9-AD2D-EC27E6697425 last_name: Freunberger orcid: 0000-0003-2902-5319 citation: ama: Jethwa RB, Mondal S, Pant B, Freunberger SA. To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries. Angewandte Chemie International Edition. 2023. doi:10.1002/anie.202316476 apa: Jethwa, R. B., Mondal, S., Pant, B., & Freunberger, S. A. (2023). To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.202316476 chicago: Jethwa, Rajesh B, Soumyadip Mondal, Bhargavi Pant, and Stefan Alexander Freunberger. “To DISP or Not? The Far‐reaching Reaction Mechanisms Underpinning Lithium‐air Batteries.” Angewandte Chemie International Edition. Wiley, 2023. https://doi.org/10.1002/anie.202316476. ieee: R. B. Jethwa, S. Mondal, B. Pant, and S. A. Freunberger, “To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries,” Angewandte Chemie International Edition. Wiley, 2023. ista: Jethwa RB, Mondal S, Pant B, Freunberger SA. 2023. To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries. Angewandte Chemie International Edition., e202316476. mla: Jethwa, Rajesh B., et al. “To DISP or Not? The Far‐reaching Reaction Mechanisms Underpinning Lithium‐air Batteries.” Angewandte Chemie International Edition, e202316476, Wiley, 2023, doi:10.1002/anie.202316476. short: R.B. Jethwa, S. Mondal, B. Pant, S.A. Freunberger, Angewandte Chemie International Edition (2023). date_created: 2023-12-15T16:10:13Z date_published: 2023-12-14T00:00:00Z date_updated: 2024-02-15T14:43:05Z day: '14' department: - _id: StFr - _id: GradSch doi: 10.1002/anie.202316476 keyword: - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: ' https://doi.org/10.1002/anie.202316476' month: '12' oa: 1 oa_version: Published Version publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: epub_ahead publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries type: journal_article user_id: 3E5EF7F0-F248-11E8-B48F-1D18A9856A87 year: '2023' ... --- _id: '12675' abstract: - lang: eng text: Aromatic side chains are important reporters of the plasticity of proteins, and often form important contacts in protein--protein interactions. By studying a pair of structurally homologous cross-β amyloid fibrils, HET-s and HELLF, with a specific isotope-labeling approach and magic-angle-spinning (MAS) NMR, we have characterized the dynamic behavior of Phe and Tyr aromatic rings to show that the hydrophobic amyloid core is rigid, without any sign of "breathing motions" over hundreds of milliseconds at least. Aromatic residues exposed at the fibril surface have a rigid ring axis but undergo ring flips, on a variety of time scales from ns to µs. Our approach provides direct insight into hydrophobic-core motions, enabling a better evaluation of the conformational heterogeneity generated from a NMR structural ensemble of such amyloid cross-β architecture. acknowledgement: We thank AlbertA. Smith (Leipzig)for insightful discussions. This work was supported by funding from the European Research Council (StG-2012-311318 to P.S.) and used the platforms of the Grenoble Instruct-ERIC center (ISBG;UMS 3518 CNRS-CEA-UJF-EMBL) within the Grenoble Partnership for Structural Biology(PSB) and facilities and expertiseof the Biophysical and Structural Chemistry platform (BPCS) at IECB,CNRSUAR3033,INSERMUS001 and Bordeaux University. article_number: e202219314 article_processing_charge: Yes (via OA deal) article_type: original author: - first_name: Lea Marie full_name: Becker, Lea Marie id: 36336939-eb97-11eb-a6c2-c83f1214ca79 last_name: Becker orcid: 0000-0002-6401-5151 - first_name: Mélanie full_name: Berbon, Mélanie last_name: Berbon - first_name: Alicia full_name: Vallet, Alicia last_name: Vallet - first_name: Axelle full_name: Grelard, Axelle last_name: Grelard - first_name: Estelle full_name: Morvan, Estelle last_name: Morvan - first_name: Benjamin full_name: Bardiaux, Benjamin last_name: Bardiaux - first_name: Roman full_name: Lichtenecker, Roman last_name: Lichtenecker - first_name: Matthias full_name: Ernst, Matthias last_name: Ernst - first_name: Antoine full_name: Loquet, Antoine last_name: Loquet - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 citation: ama: Becker LM, Berbon M, Vallet A, et al. The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle Spinning NMR of aromatic residues. Angewandte Chemie International Edition. 2023;62(19). doi:10.1002/anie.202219314 apa: Becker, L. M., Berbon, M., Vallet, A., Grelard, A., Morvan, E., Bardiaux, B., … Schanda, P. (2023). The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle Spinning NMR of aromatic residues. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.202219314 chicago: Becker, Lea Marie, Mélanie Berbon, Alicia Vallet, Axelle Grelard, Estelle Morvan, Benjamin Bardiaux, Roman Lichtenecker, Matthias Ernst, Antoine Loquet, and Paul Schanda. “The Rigid Core and Flexible Surface of Amyloid Fibrils Probed by Magic‐Angle Spinning NMR of Aromatic Residues.” Angewandte Chemie International Edition. Wiley, 2023. https://doi.org/10.1002/anie.202219314. ieee: L. M. Becker et al., “The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle Spinning NMR of aromatic residues,” Angewandte Chemie International Edition, vol. 62, no. 19. Wiley, 2023. ista: Becker LM, Berbon M, Vallet A, Grelard A, Morvan E, Bardiaux B, Lichtenecker R, Ernst M, Loquet A, Schanda P. 2023. The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle Spinning NMR of aromatic residues. Angewandte Chemie International Edition. 62(19), e202219314. mla: Becker, Lea Marie, et al. “The Rigid Core and Flexible Surface of Amyloid Fibrils Probed by Magic‐Angle Spinning NMR of Aromatic Residues.” Angewandte Chemie International Edition, vol. 62, no. 19, e202219314, Wiley, 2023, doi:10.1002/anie.202219314. short: L.M. Becker, M. Berbon, A. Vallet, A. Grelard, E. Morvan, B. Bardiaux, R. Lichtenecker, M. Ernst, A. Loquet, P. Schanda, Angewandte Chemie International Edition 62 (2023). date_created: 2023-02-24T10:45:01Z date_published: 2023-05-01T00:00:00Z date_updated: 2024-02-21T12:14:06Z day: '01' ddc: - '540' department: - _id: GradSch - _id: PaSc doi: 10.1002/anie.202219314 external_id: isi: - '000956919900001' pmid: - '36738230' file: - access_level: open_access checksum: 7dd083ed8850faa55c34e411ed390de9 content_type: application/pdf creator: dernst date_created: 2023-08-16T12:33:31Z date_updated: 2023-08-16T12:33:31Z file_id: '14072' file_name: 2023_AngewChemInt_Becker.pdf file_size: 1422445 relation: main_file success: 1 file_date_updated: 2023-08-16T12:33:31Z has_accepted_license: '1' intvolume: ' 62' isi: 1 issue: '19' keyword: - General Chemistry - Catalysis language: - iso: eng month: '05' oa: 1 oa_version: Published Version pmid: 1 publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' related_material: link: - description: News on ISTA website relation: press_release url: https://ista.ac.at/en/news/dancing-styles-of-atoms/ record: - id: '14861' relation: other status: public - id: '12497' relation: research_data status: public status: public title: The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle Spinning NMR of aromatic residues tmp: image: /images/cc_by_nc.png legal_code_url: https://creativecommons.org/licenses/by-nc/4.0/legalcode name: Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) short: CC BY-NC (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 62 year: '2023' ... --- _id: '12924' abstract: - lang: eng text: We demonstrate that several visible-light-mediated carbon−heteroatom cross-coupling reactions can be carried out using a photoactive NiII precatalyst that forms in situ from a nickel salt and a bipyridine ligand decorated with two carbazole groups (Ni(Czbpy)Cl2). The activation of this precatalyst towards cross-coupling reactions follows a hitherto undisclosed mechanism that is different from previously reported light-responsive nickel complexes that undergo metal-to-ligand charge transfer. Theoretical and spectroscopic investigations revealed that irradiation of Ni(Czbpy)Cl2 with visible light causes an initial intraligand charge transfer event that triggers productive catalysis. Ligand polymerization affords a porous, recyclable organic polymer for heterogeneous nickel catalysis of cross-coupling reactions. The heterogeneous catalyst shows stable performance in a packed-bed flow reactor during a week of continuous operation. article_number: e202211433 article_processing_charge: No article_type: original author: - first_name: Cristian full_name: Cavedon, Cristian last_name: Cavedon - first_name: Sebastian full_name: Gisbertz, Sebastian last_name: Gisbertz - first_name: Susanne full_name: Reischauer, Susanne last_name: Reischauer - first_name: Sarah full_name: Vogl, Sarah last_name: Vogl - first_name: Eric full_name: Sperlich, Eric last_name: Sperlich - first_name: John H. full_name: Burke, John H. last_name: Burke - first_name: Rachel F. full_name: Wallick, Rachel F. last_name: Wallick - first_name: Stefanie full_name: Schrottke, Stefanie last_name: Schrottke - first_name: Wei‐Hsin full_name: Hsu, Wei‐Hsin last_name: Hsu - first_name: Lucia full_name: Anghileri, Lucia last_name: Anghileri - first_name: Yannik full_name: Pfeifer, Yannik last_name: Pfeifer - first_name: Noah full_name: Richter, Noah last_name: Richter - first_name: Christian full_name: Teutloff, Christian last_name: Teutloff - first_name: Henrike full_name: Müller‐Werkmeister, Henrike last_name: Müller‐Werkmeister - first_name: Dario full_name: Cambié, Dario last_name: Cambié - first_name: Peter H. full_name: Seeberger, Peter H. last_name: Seeberger - first_name: Josh full_name: Vura‐Weis, Josh last_name: Vura‐Weis - first_name: Renske M. full_name: van der Veen, Renske M. last_name: van der Veen - first_name: Arne full_name: Thomas, Arne last_name: Thomas - first_name: Bartholomäus full_name: Pieber, Bartholomäus id: 93e5e5b2-0da6-11ed-8a41-af589a024726 last_name: Pieber orcid: 0000-0001-8689-388X citation: ama: Cavedon C, Gisbertz S, Reischauer S, et al. Intraligand charge transfer enables visible‐light‐mediated Nickel‐catalyzed cross-coupling reactions. Angewandte Chemie International Edition. 2022;61(46). doi:10.1002/anie.202211433 apa: Cavedon, C., Gisbertz, S., Reischauer, S., Vogl, S., Sperlich, E., Burke, J. H., … Pieber, B. (2022). Intraligand charge transfer enables visible‐light‐mediated Nickel‐catalyzed cross-coupling reactions. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.202211433 chicago: Cavedon, Cristian, Sebastian Gisbertz, Susanne Reischauer, Sarah Vogl, Eric Sperlich, John H. Burke, Rachel F. Wallick, et al. “Intraligand Charge Transfer Enables Visible‐light‐mediated Nickel‐catalyzed Cross-Coupling Reactions.” Angewandte Chemie International Edition. Wiley, 2022. https://doi.org/10.1002/anie.202211433. ieee: C. Cavedon et al., “Intraligand charge transfer enables visible‐light‐mediated Nickel‐catalyzed cross-coupling reactions,” Angewandte Chemie International Edition, vol. 61, no. 46. Wiley, 2022. ista: Cavedon C, Gisbertz S, Reischauer S, Vogl S, Sperlich E, Burke JH, Wallick RF, Schrottke S, Hsu W, Anghileri L, Pfeifer Y, Richter N, Teutloff C, Müller‐Werkmeister H, Cambié D, Seeberger PH, Vura‐Weis J, van der Veen RM, Thomas A, Pieber B. 2022. Intraligand charge transfer enables visible‐light‐mediated Nickel‐catalyzed cross-coupling reactions. Angewandte Chemie International Edition. 61(46), e202211433. mla: Cavedon, Cristian, et al. “Intraligand Charge Transfer Enables Visible‐light‐mediated Nickel‐catalyzed Cross-Coupling Reactions.” Angewandte Chemie International Edition, vol. 61, no. 46, e202211433, Wiley, 2022, doi:10.1002/anie.202211433. short: C. Cavedon, S. Gisbertz, S. Reischauer, S. Vogl, E. Sperlich, J.H. Burke, R.F. Wallick, S. Schrottke, W. Hsu, L. Anghileri, Y. Pfeifer, N. Richter, C. Teutloff, H. Müller‐Werkmeister, D. Cambié, P.H. Seeberger, J. Vura‐Weis, R.M. van der Veen, A. Thomas, B. Pieber, Angewandte Chemie International Edition 61 (2022). date_created: 2023-05-08T08:30:11Z date_published: 2022-11-14T00:00:00Z date_updated: 2023-05-15T08:27:25Z day: '14' doi: 10.1002/anie.202211433 extern: '1' intvolume: ' 61' issue: '46' keyword: - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1002/anie.202211433 month: '11' oa: 1 oa_version: Published Version publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: Intraligand charge transfer enables visible‐light‐mediated Nickel‐catalyzed cross-coupling reactions type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 61 year: '2022' ... --- _id: '12923' abstract: - lang: eng text: Photoredox-mediated Ni-catalyzed cross-couplings are powerful transformations to form carbon–heteroatom bonds and are generally photocatalyzed by noble metal complexes. Low-cost and easy-to-prepare carbon dots (CDs) are attractive quasi-homogeneous photocatalyst alternatives, but their applicability is limited by their short photoluminescence (PL) lifetimes. By tuning the surface and PL properties of CDs, we designed colloidal CD nano-photocatalysts for a broad range of Ni-mediated cross-couplings between aryl halides and nucleophiles. In particular, a CD decorated with amino groups permitted coupling to a wide range of aryl halides and thiols under mild, base-free conditions. Mechanistic studies suggested dynamic quenching of the CD excited state by the Ni co-catalyst and identified that pyridinium iodide (pyHI), a previously used additive in metallaphotocatalyzed cross-couplings, can also act as a photocatalyst in such transformations. article_processing_charge: No article_type: original author: - first_name: Zhouxiang full_name: Zhao, Zhouxiang last_name: Zhao - first_name: Bartholomäus full_name: Pieber, Bartholomäus id: 93e5e5b2-0da6-11ed-8a41-af589a024726 last_name: Pieber orcid: 0000-0001-8689-388X - first_name: Martina full_name: Delbianco, Martina last_name: Delbianco citation: ama: Zhao Z, Pieber B, Delbianco M. Modulating the surface and photophysical properties of carbon dots to access colloidal photocatalysts for cross-couplings. ACS Catalysis. 2022;12(22):13831-13837. doi:10.1021/acscatal.2c04025 apa: Zhao, Z., Pieber, B., & Delbianco, M. (2022). Modulating the surface and photophysical properties of carbon dots to access colloidal photocatalysts for cross-couplings. ACS Catalysis. American Chemical Society. https://doi.org/10.1021/acscatal.2c04025 chicago: Zhao, Zhouxiang, Bartholomäus Pieber, and Martina Delbianco. “Modulating the Surface and Photophysical Properties of Carbon Dots to Access Colloidal Photocatalysts for Cross-Couplings.” ACS Catalysis. American Chemical Society, 2022. https://doi.org/10.1021/acscatal.2c04025. ieee: Z. Zhao, B. Pieber, and M. Delbianco, “Modulating the surface and photophysical properties of carbon dots to access colloidal photocatalysts for cross-couplings,” ACS Catalysis, vol. 12, no. 22. American Chemical Society, pp. 13831–13837, 2022. ista: Zhao Z, Pieber B, Delbianco M. 2022. Modulating the surface and photophysical properties of carbon dots to access colloidal photocatalysts for cross-couplings. ACS Catalysis. 12(22), 13831–13837. mla: Zhao, Zhouxiang, et al. “Modulating the Surface and Photophysical Properties of Carbon Dots to Access Colloidal Photocatalysts for Cross-Couplings.” ACS Catalysis, vol. 12, no. 22, American Chemical Society, 2022, pp. 13831–37, doi:10.1021/acscatal.2c04025. short: Z. Zhao, B. Pieber, M. Delbianco, ACS Catalysis 12 (2022) 13831–13837. date_created: 2023-05-08T08:28:54Z date_published: 2022-10-27T00:00:00Z date_updated: 2023-05-15T08:30:13Z day: '27' doi: 10.1021/acscatal.2c04025 extern: '1' intvolume: ' 12' issue: '22' keyword: - Catalysis - General Chemistry language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/acscatal.2c04025 month: '10' oa: 1 oa_version: Published Version page: 13831-13837 publication: ACS Catalysis publication_identifier: eissn: - 2155-5435 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Modulating the surface and photophysical properties of carbon dots to access colloidal photocatalysts for cross-couplings type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 12 year: '2022' ... --- _id: '13348' abstract: - lang: eng text: Molecular confinement effects can profoundly alter the physicochemical properties of the confined species. A plethora of organic molecules were encapsulated within the cavities of supramolecular hosts, and the impact of the cavity size and polarity was widely investigated. However, the extent to which the properties of the confined guests can be affected by the symmetry of the cage─which dictates the shape of the cavity─remains to be understood. Here we show that cage symmetry has a dramatic effect on the equilibrium between two isomers of the encapsulated spiropyran guests. Working with two Pd-based coordination cages featuring similarly sized but differently shaped hydrophobic cavities, we found a highly selective stabilization of the isomer whose shape matches that of the cavity of the cage. A Td-symmetric cage stabilized the spiropyrans’ colorless form and rendered them photochemically inert. In contrast, a D2h-symmetric cage favored the colored isomer, while maintaining reversible photoswitching between the two states of the encapsulated spiropyrans. We also show that the switching kinetics strongly depend on the substitution pattern on the spiropyran scaffold. This finding was used to fabricate a time-sensitive information storage medium with tunable lifetimes of the encoded messages. article_processing_charge: No article_type: original author: - first_name: Jinhua full_name: Wang, Jinhua last_name: Wang - first_name: Liat full_name: Avram, Liat last_name: Avram - first_name: Yael full_name: Diskin-Posner, Yael last_name: Diskin-Posner - first_name: Michał J. full_name: Białek, Michał J. last_name: Białek - first_name: Wojciech full_name: Stawski, Wojciech last_name: Stawski - first_name: Moran full_name: Feller, Moran last_name: Feller - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Wang J, Avram L, Diskin-Posner Y, et al. Altering the properties of spiropyran switches using coordination cages with different symmetries. Journal of the American Chemical Society. 2022;144(46):21244-21254. doi:10.1021/jacs.2c08901 apa: Wang, J., Avram, L., Diskin-Posner, Y., Białek, M. J., Stawski, W., Feller, M., & Klajn, R. (2022). Altering the properties of spiropyran switches using coordination cages with different symmetries. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.2c08901 chicago: Wang, Jinhua, Liat Avram, Yael Diskin-Posner, Michał J. Białek, Wojciech Stawski, Moran Feller, and Rafal Klajn. “Altering the Properties of Spiropyran Switches Using Coordination Cages with Different Symmetries.” Journal of the American Chemical Society. American Chemical Society, 2022. https://doi.org/10.1021/jacs.2c08901. ieee: J. Wang et al., “Altering the properties of spiropyran switches using coordination cages with different symmetries,” Journal of the American Chemical Society, vol. 144, no. 46. American Chemical Society, pp. 21244–21254, 2022. ista: Wang J, Avram L, Diskin-Posner Y, Białek MJ, Stawski W, Feller M, Klajn R. 2022. Altering the properties of spiropyran switches using coordination cages with different symmetries. Journal of the American Chemical Society. 144(46), 21244–21254. mla: Wang, Jinhua, et al. “Altering the Properties of Spiropyran Switches Using Coordination Cages with Different Symmetries.” Journal of the American Chemical Society, vol. 144, no. 46, American Chemical Society, 2022, pp. 21244–54, doi:10.1021/jacs.2c08901. short: J. Wang, L. Avram, Y. Diskin-Posner, M.J. Białek, W. Stawski, M. Feller, R. Klajn, Journal of the American Chemical Society 144 (2022) 21244–21254. date_created: 2023-08-01T09:31:01Z date_published: 2022-11-15T00:00:00Z date_updated: 2023-08-02T06:39:50Z day: '15' doi: 10.1021/jacs.2c08901 extern: '1' intvolume: ' 144' issue: '46' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/jacs.2c08901 month: '11' oa: 1 oa_version: Published Version page: 21244-21254 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Altering the properties of spiropyran switches using coordination cages with different symmetries type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 144 year: '2022' ... --- _id: '13353' abstract: - lang: eng text: We show that the optical properties of indigo carmine can be modulated by encapsulation within a coordination cage. Depending on the host/guest molar ratio, the cage can predominantly encapsulate either one or two dye molecules. The 1 : 1 complex is fluorescent, unique for an indigo dye in an aqueous solution. We have also found that binding two dye molecules stabilizes a previously unknown conformation of the cage. article_processing_charge: No article_type: original author: - first_name: Oksana full_name: Yanshyna, Oksana last_name: Yanshyna - first_name: Liat full_name: Avram, Liat last_name: Avram - first_name: Linda J. W. full_name: Shimon, Linda J. W. last_name: Shimon - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Yanshyna O, Avram L, Shimon LJW, Klajn R. Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine. Chemical Communications. 2022;58(21):3461-3464. doi:10.1039/d1cc07081a apa: Yanshyna, O., Avram, L., Shimon, L. J. W., & Klajn, R. (2022). Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine. Chemical Communications. Royal Society of Chemistry. https://doi.org/10.1039/d1cc07081a chicago: Yanshyna, Oksana, Liat Avram, Linda J. W. Shimon, and Rafal Klajn. “Coexistence of 1:1 and 2:1 Inclusion Complexes of Indigo Carmine.” Chemical Communications. Royal Society of Chemistry, 2022. https://doi.org/10.1039/d1cc07081a. ieee: O. Yanshyna, L. Avram, L. J. W. Shimon, and R. Klajn, “Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine,” Chemical Communications, vol. 58, no. 21. Royal Society of Chemistry, pp. 3461–3464, 2022. ista: Yanshyna O, Avram L, Shimon LJW, Klajn R. 2022. Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine. Chemical Communications. 58(21), 3461–3464. mla: Yanshyna, Oksana, et al. “Coexistence of 1:1 and 2:1 Inclusion Complexes of Indigo Carmine.” Chemical Communications, vol. 58, no. 21, Royal Society of Chemistry, 2022, pp. 3461–64, doi:10.1039/d1cc07081a. short: O. Yanshyna, L. Avram, L.J.W. Shimon, R. Klajn, Chemical Communications 58 (2022) 3461–3464. date_created: 2023-08-01T09:32:55Z date_published: 2022-01-22T00:00:00Z date_updated: 2023-08-02T09:46:51Z day: '22' doi: 10.1039/d1cc07081a extern: '1' external_id: pmid: - '35064258' intvolume: ' 58' issue: '21' keyword: - Materials Chemistry - Metals and Alloys - Surfaces - Coatings and Films - General Chemistry - Ceramics and Composites - Electronic - Optical and Magnetic Materials - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1039/D1CC07081A month: '01' oa: 1 oa_version: Published Version page: 3461-3464 pmid: 1 publication: Chemical Communications publication_identifier: eissn: - 1364-548X issn: - 1359-7345 publication_status: published publisher: Royal Society of Chemistry quality_controlled: '1' scopus_import: '1' status: public title: Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 58 year: '2022' ... --- _id: '12228' abstract: - lang: eng text: The question of how RNA, as the principal carrier of genetic information evolved is fundamentally important for our understanding of the origin of life. The RNA molecule is far too complex to have formed in one evolutionary step, suggesting that ancestral proto-RNAs (first ancestor of RNA) may have existed, which evolved over time into the RNA of today. Here we show that isoxazole nucleosides, which are quickly formed from hydroxylamine, cyanoacetylene, urea and ribose, are plausible precursors for RNA. The isoxazole nucleoside can rearrange within an RNA-strand to give cytidine, which leads to an increase of pairing stability. If the proto-RNA contains a canonical seed-nucleoside with defined stereochemistry, the seed-nucleoside can control the configuration of the anomeric center that forms during the in-RNA transformation. The results demonstrate that RNA could have emerged from evolutionarily primitive precursor isoxazole ribosides after strand formation. acknowledgement: We thank Stefan Wiedemann for the synthesis of reference compounds and Pia Heinrichs for assistance in the NMR measurements of the oligonucleotides. We also thank Dr. Luis Escobar and Jonas Feldmann for valued discussions. This work was supported by the German Research Foundation (DFG) for financial support via CRC1309 (Project ID 325871075, A04), CRC1361 (Project ID 893547839, P02) and CRC1032 (Project ID 201269156, A5). This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program under grant agreement No 741912 (EpiR). We are grateful for additional funding from the Volkswagen Foundation (EvoRib). Open Access funding enabled and organized by Projekt DEAL. article_number: e202211945 article_processing_charge: No article_type: original author: - first_name: Felix full_name: Xu, Felix last_name: Xu - first_name: Antony full_name: Crisp, Antony last_name: Crisp - first_name: Thea full_name: Schinkel, Thea last_name: Schinkel - first_name: Romeo C. A. full_name: Dubini, Romeo C. A. last_name: Dubini - first_name: Sarah full_name: Hübner, Sarah last_name: Hübner - first_name: Sidney full_name: Becker, Sidney last_name: Becker - first_name: Florian full_name: Schelter, Florian last_name: Schelter - first_name: Petra full_name: Rovo, Petra id: c316e53f-b965-11eb-b128-bb26acc59c00 last_name: Rovo orcid: 0000-0001-8729-7326 - first_name: Thomas full_name: Carell, Thomas last_name: Carell citation: ama: Xu F, Crisp A, Schinkel T, et al. Isoxazole nucleosides as building blocks for a plausible proto‐RNA. Angewandte Chemie International Edition. 2022;61(45). doi:10.1002/anie.202211945 apa: Xu, F., Crisp, A., Schinkel, T., Dubini, R. C. A., Hübner, S., Becker, S., … Carell, T. (2022). Isoxazole nucleosides as building blocks for a plausible proto‐RNA. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.202211945 chicago: Xu, Felix, Antony Crisp, Thea Schinkel, Romeo C. A. Dubini, Sarah Hübner, Sidney Becker, Florian Schelter, Petra Rovo, and Thomas Carell. “Isoxazole Nucleosides as Building Blocks for a Plausible Proto‐RNA.” Angewandte Chemie International Edition. Wiley, 2022. https://doi.org/10.1002/anie.202211945. ieee: F. Xu et al., “Isoxazole nucleosides as building blocks for a plausible proto‐RNA,” Angewandte Chemie International Edition, vol. 61, no. 45. Wiley, 2022. ista: Xu F, Crisp A, Schinkel T, Dubini RCA, Hübner S, Becker S, Schelter F, Rovo P, Carell T. 2022. Isoxazole nucleosides as building blocks for a plausible proto‐RNA. Angewandte Chemie International Edition. 61(45), e202211945. mla: Xu, Felix, et al. “Isoxazole Nucleosides as Building Blocks for a Plausible Proto‐RNA.” Angewandte Chemie International Edition, vol. 61, no. 45, e202211945, Wiley, 2022, doi:10.1002/anie.202211945. short: F. Xu, A. Crisp, T. Schinkel, R.C.A. Dubini, S. Hübner, S. Becker, F. Schelter, P. Rovo, T. Carell, Angewandte Chemie International Edition 61 (2022). date_created: 2023-01-16T09:49:05Z date_published: 2022-11-07T00:00:00Z date_updated: 2023-08-04T09:32:42Z day: '07' ddc: - '540' department: - _id: NMR doi: 10.1002/anie.202211945 external_id: isi: - '000866428500001' file: - access_level: open_access checksum: 4e8152454d12025d13f6e6e9ca06b5d0 content_type: application/pdf creator: dernst date_created: 2023-01-27T10:28:45Z date_updated: 2023-01-27T10:28:45Z file_id: '12422' file_name: 2022_AngewandteChemieInternat_Xu.pdf file_size: 1076715 relation: main_file success: 1 file_date_updated: 2023-01-27T10:28:45Z has_accepted_license: '1' intvolume: ' 61' isi: 1 issue: '45' keyword: - General Chemistry - Catalysis language: - iso: eng month: '11' oa: 1 oa_version: Published Version publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: Isoxazole nucleosides as building blocks for a plausible proto‐RNA tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 61 year: '2022' ... --- _id: '10813' abstract: - lang: eng text: Redox mediators could catalyse otherwise slow and energy-inefficient cycling of Li–S and Li–O2 batteries by shuttling electrons or holes between the electrode and the solid insulating storage materials. For mediators to work efficiently they need to oxidize the solid with fast kinetics but with the lowest possible overpotential. However, the dependence of kinetics and overpotential is unclear, which hinders informed improvement. Here, we find that when the redox potentials of mediators are tuned via, for example, Li+ concentration in the electrolyte, they exhibit distinct threshold potentials, where the kinetics accelerate several-fold within a range as small as 10 mV. This phenomenon is independent of types of mediator and electrolyte. The acceleration originates from the overpotentials required to activate fast Li+/e− extraction and the following chemical step at specific abundant surface facets. Efficient redox catalysis at insulating solids therefore requires careful consideration of the surface conditions of the storage materials and electrolyte-dependent redox potentials, which may be tuned by salt concentrations or solvents. acknowledgement: This work was financially supported by the National Natural Science Foundation of China (grant nos. 51773092, 21975124, 11874254, 51802187 and U2030206). It was further supported by Fujian science & technology innovation laboratory for energy devices of China (21C-LAB), Key Research Project of Zhejiang Laboratory (grant no. 2021PE0AC02) and the Cultivation Program for the Excellent Doctoral Dissertation of Nanjing Tech University. S.A.F. is indebted to IST Austria for support. article_processing_charge: No article_type: original author: - first_name: Deqing full_name: Cao, Deqing last_name: Cao - first_name: Xiaoxiao full_name: Shen, Xiaoxiao last_name: Shen - first_name: Aiping full_name: Wang, Aiping last_name: Wang - first_name: Fengjiao full_name: Yu, Fengjiao last_name: Yu - first_name: Yuping full_name: Wu, Yuping last_name: Wu - first_name: Siqi full_name: Shi, Siqi last_name: Shi - first_name: Stefan Alexander full_name: Freunberger, Stefan Alexander id: A8CA28E6-CE23-11E9-AD2D-EC27E6697425 last_name: Freunberger orcid: 0000-0003-2902-5319 - first_name: Yuhui full_name: Chen, Yuhui last_name: Chen citation: ama: Cao D, Shen X, Wang A, et al. Threshold potentials for fast kinetics during mediated redox catalysis of insulators in Li–O2 and Li–S batteries. Nature Catalysis. 2022;5:193-201. doi:10.1038/s41929-022-00752-z apa: Cao, D., Shen, X., Wang, A., Yu, F., Wu, Y., Shi, S., … Chen, Y. (2022). Threshold potentials for fast kinetics during mediated redox catalysis of insulators in Li–O2 and Li–S batteries. Nature Catalysis. Springer Nature. https://doi.org/10.1038/s41929-022-00752-z chicago: Cao, Deqing, Xiaoxiao Shen, Aiping Wang, Fengjiao Yu, Yuping Wu, Siqi Shi, Stefan Alexander Freunberger, and Yuhui Chen. “Threshold Potentials for Fast Kinetics during Mediated Redox Catalysis of Insulators in Li–O2 and Li–S Batteries.” Nature Catalysis. Springer Nature, 2022. https://doi.org/10.1038/s41929-022-00752-z. ieee: D. Cao et al., “Threshold potentials for fast kinetics during mediated redox catalysis of insulators in Li–O2 and Li–S batteries,” Nature Catalysis, vol. 5. Springer Nature, pp. 193–201, 2022. ista: Cao D, Shen X, Wang A, Yu F, Wu Y, Shi S, Freunberger SA, Chen Y. 2022. Threshold potentials for fast kinetics during mediated redox catalysis of insulators in Li–O2 and Li–S batteries. Nature Catalysis. 5, 193–201. mla: Cao, Deqing, et al. “Threshold Potentials for Fast Kinetics during Mediated Redox Catalysis of Insulators in Li–O2 and Li–S Batteries.” Nature Catalysis, vol. 5, Springer Nature, 2022, pp. 193–201, doi:10.1038/s41929-022-00752-z. short: D. Cao, X. Shen, A. Wang, F. Yu, Y. Wu, S. Shi, S.A. Freunberger, Y. Chen, Nature Catalysis 5 (2022) 193–201. date_created: 2022-03-04T07:50:10Z date_published: 2022-03-03T00:00:00Z date_updated: 2023-10-17T13:06:28Z day: '03' department: - _id: StFr doi: 10.1038/s41929-022-00752-z external_id: isi: - '000763879400001' intvolume: ' 5' isi: 1 keyword: - Process Chemistry and Technology - Biochemistry - Bioengineering - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.21203/rs.3.rs-750965/v1 month: '03' oa: 1 oa_version: Preprint page: 193-201 publication: Nature Catalysis publication_identifier: issn: - 2520-1158 publication_status: published publisher: Springer Nature quality_controlled: '1' related_material: record: - id: '9978' relation: earlier_version status: public scopus_import: '1' status: public title: Threshold potentials for fast kinetics during mediated redox catalysis of insulators in Li–O2 and Li–S batteries type: journal_article user_id: 4359f0d1-fa6c-11eb-b949-802e58b17ae8 volume: 5 year: '2022' ... --- _id: '13358' abstract: - lang: eng text: DNA nanotechnology offers a versatile toolbox for precise spatial and temporal manipulation of matter on the nanoscale. However, rendering DNA-based systems responsive to light has remained challenging. Herein, we describe the remote manipulation of native (non-photoresponsive) chiral plasmonic molecules (CPMs) using light. Our strategy is based on the use of a photoresponsive medium comprising a merocyanine-based photoacid. Upon exposure to visible light, the medium decreases its pH, inducing the formation of DNA triplex links, leading to a spatial reconfiguration of the CPMs. The process can be reversed simply by turning the light off and it can be repeated for multiple cycles. The degree of the overall chirality change in an ensemble of CPMs depends on the CPM fraction undergoing reconfiguration, which, remarkably, depends on and can be tuned by the intensity of incident light. Such a dynamic, remotely controlled system could aid in further advancing DNA-based devices and nanomaterials. article_processing_charge: No article_type: original author: - first_name: Joonas full_name: Ryssy, Joonas last_name: Ryssy - first_name: Ashwin K. full_name: Natarajan, Ashwin K. last_name: Natarajan - first_name: Jinhua full_name: Wang, Jinhua last_name: Wang - first_name: Arttu J. full_name: Lehtonen, Arttu J. last_name: Lehtonen - first_name: Minh‐Kha full_name: Nguyen, Minh‐Kha last_name: Nguyen - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Anton full_name: Kuzyk, Anton last_name: Kuzyk citation: ama: Ryssy J, Natarajan AK, Wang J, et al. Light‐responsive dynamic DNA‐origami‐based plasmonic assemblies. Angewandte Chemie International Edition. 2021;60(11):5859-5863. doi:10.1002/anie.202014963 apa: Ryssy, J., Natarajan, A. K., Wang, J., Lehtonen, A. J., Nguyen, M., Klajn, R., & Kuzyk, A. (2021). Light‐responsive dynamic DNA‐origami‐based plasmonic assemblies. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.202014963 chicago: Ryssy, Joonas, Ashwin K. Natarajan, Jinhua Wang, Arttu J. Lehtonen, Minh‐Kha Nguyen, Rafal Klajn, and Anton Kuzyk. “Light‐responsive Dynamic DNA‐origami‐based Plasmonic Assemblies.” Angewandte Chemie International Edition. Wiley, 2021. https://doi.org/10.1002/anie.202014963. ieee: J. Ryssy et al., “Light‐responsive dynamic DNA‐origami‐based plasmonic assemblies,” Angewandte Chemie International Edition, vol. 60, no. 11. Wiley, pp. 5859–5863, 2021. ista: Ryssy J, Natarajan AK, Wang J, Lehtonen AJ, Nguyen M, Klajn R, Kuzyk A. 2021. Light‐responsive dynamic DNA‐origami‐based plasmonic assemblies. Angewandte Chemie International Edition. 60(11), 5859–5863. mla: Ryssy, Joonas, et al. “Light‐responsive Dynamic DNA‐origami‐based Plasmonic Assemblies.” Angewandte Chemie International Edition, vol. 60, no. 11, Wiley, 2021, pp. 5859–63, doi:10.1002/anie.202014963. short: J. Ryssy, A.K. Natarajan, J. Wang, A.J. Lehtonen, M. Nguyen, R. Klajn, A. Kuzyk, Angewandte Chemie International Edition 60 (2021) 5859–5863. date_created: 2023-08-01T09:35:06Z date_published: 2021-03-08T00:00:00Z date_updated: 2023-08-02T07:22:23Z day: '08' doi: 10.1002/anie.202014963 extern: '1' intvolume: ' 60' issue: '11' keyword: - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1002/anie.202014963 month: '03' oa: 1 oa_version: Published Version page: 5859-5863 publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' related_material: link: - relation: erratum url: https://doi.org/10.1002/anie.202210394 scopus_import: '1' status: public title: Light‐responsive dynamic DNA‐origami‐based plasmonic assemblies type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 60 year: '2021' ... --- _id: '9978' abstract: - lang: eng text: Redox mediators could catalyse otherwise slow and energy-inefficient cycling of Li-S and Li-O 2 batteries by shuttling electrons/holes between the electrode and the solid insulating storage materials. For mediators to work efficiently they need to oxidize the solid with fast kinetics yet the lowest possible overpotential. Here, we found that when the redox potentials of mediators are tuned via, e.g., Li + concentration in the electrolyte, they exhibit distinct threshold potentials, where the kinetics accelerate several-fold within a range as small as 10 mV. This phenomenon is independent of types of mediators and electrolyte. The acceleration originates from the overpotentials required to activate fast Li + /e – extraction and the following chemical step at specific abundant surface facets. Efficient redox catalysis at insulating solids requires therefore carefully considering the surface conditions of the storage materials and electrolyte-dependent redox potentials, which may be tuned by salt concentrations or solvents. acknowledgement: 'This work was financially supported by the National Natural Science Foundation of China (51773092, 21975124, 11874254, 51802187, U2030206). S.A.F. is indebted to IST Austria for support. ' article_processing_charge: No author: - first_name: Deqing full_name: Cao, Deqing last_name: Cao - first_name: Xiaoxiao full_name: Shen, Xiaoxiao last_name: Shen - first_name: Aiping full_name: Wang, Aiping last_name: Wang - first_name: Fengjiao full_name: Yu, Fengjiao last_name: Yu - first_name: Yuping full_name: Wu, Yuping last_name: Wu - first_name: Siqi full_name: Shi, Siqi last_name: Shi - first_name: Stefan Alexander full_name: Freunberger, Stefan Alexander id: A8CA28E6-CE23-11E9-AD2D-EC27E6697425 last_name: Freunberger orcid: 0000-0003-2902-5319 - first_name: Yuhui full_name: Chen, Yuhui last_name: Chen citation: ama: Cao D, Shen X, Wang A, et al. Sharp kinetic acceleration potentials during mediated redox catalysis of insulators. Research Square. doi:10.21203/rs.3.rs-750965/v1 apa: Cao, D., Shen, X., Wang, A., Yu, F., Wu, Y., Shi, S., … Chen, Y. (n.d.). Sharp kinetic acceleration potentials during mediated redox catalysis of insulators. Research Square. Research Square. https://doi.org/10.21203/rs.3.rs-750965/v1 chicago: Cao, Deqing, Xiaoxiao Shen, Aiping Wang, Fengjiao Yu, Yuping Wu, Siqi Shi, Stefan Alexander Freunberger, and Yuhui Chen. “Sharp Kinetic Acceleration Potentials during Mediated Redox Catalysis of Insulators.” Research Square. Research Square, n.d. https://doi.org/10.21203/rs.3.rs-750965/v1. ieee: D. Cao et al., “Sharp kinetic acceleration potentials during mediated redox catalysis of insulators,” Research Square. Research Square. ista: Cao D, Shen X, Wang A, Yu F, Wu Y, Shi S, Freunberger SA, Chen Y. Sharp kinetic acceleration potentials during mediated redox catalysis of insulators. Research Square, 10.21203/rs.3.rs-750965/v1. mla: Cao, Deqing, et al. “Sharp Kinetic Acceleration Potentials during Mediated Redox Catalysis of Insulators.” Research Square, Research Square, doi:10.21203/rs.3.rs-750965/v1. short: D. Cao, X. Shen, A. Wang, F. Yu, Y. Wu, S. Shi, S.A. Freunberger, Y. Chen, Research Square (n.d.). date_created: 2021-08-31T12:54:16Z date_published: 2021-08-18T00:00:00Z date_updated: 2023-10-17T13:06:29Z day: '18' ddc: - '541' department: - _id: StFr doi: 10.21203/rs.3.rs-750965/v1 file: - access_level: open_access checksum: 1878e91c29d5769ed5a827b0b7addf00 content_type: application/pdf creator: cchlebak date_created: 2021-08-31T14:02:19Z date_updated: 2021-08-31T14:02:19Z file_id: '9979' file_name: 2021_ResearchSquare_Cao.pdf file_size: 1019662 relation: main_file success: 1 file_date_updated: 2021-08-31T14:02:19Z has_accepted_license: '1' keyword: - Catalysis - Energy engineering - Materials theory and modeling language: - iso: eng month: '08' oa: 1 oa_version: Preprint page: '21' publication: Research Square publication_identifier: eissn: - 2693-5015 publication_status: submitted publisher: Research Square related_material: record: - id: '10813' relation: later_version status: public status: public title: Sharp kinetic acceleration potentials during mediated redox catalysis of insulators tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: preprint user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 year: '2021' ... --- _id: '13362' abstract: - lang: eng text: Aggregation of organic molecules can drastically affect their physicochemical properties. For instance, the optical properties of BODIPY dyes are inherently related to the degree of aggregation and the mutual orientation of BODIPY units within these aggregates. Whereas the noncovalent aggregation of various BODIPY dyes has been studied in diverse media, the ill-defined nature of these aggregates has made it difficult to elucidate the structure–property relationships. Here, we studied the encapsulation of three structurally simple BODIPY derivatives within the hydrophobic cavity of a water-soluble, flexible PdII6L4 coordination cage. The cavity size allowed for the selective encapsulation of two dye molecules, irrespective of the substitution pattern on the BODIPY core. Working with a model, a pentamethyl-substituted derivative, we found that the mutual orientation of two BODIPY units in the cage’s cavity was remarkably similar to that in the crystalline state of the free dye, allowing us to isolate and characterize the smallest possible noncovalent H-type BODIPY aggregate, namely, an H-dimer. Interestingly, a CF3-substituted BODIPY, known for forming J-type aggregates, was also encapsulated as an H-dimer. Taking advantage of the dynamic nature of encapsulation, we developed a system in which reversible switching between H- and J-aggregates can be induced for multiple cycles simply by addition and subsequent destruction of the cage. We expect that the ability to rapidly and reversibly manipulate the optical properties of supramolecular inclusion complexes in aqueous media will open up avenues for developing detection systems that operate within biological environments. article_processing_charge: No article_type: original author: - first_name: Julius full_name: Gemen, Julius last_name: Gemen - first_name: Johannes full_name: Ahrens, Johannes last_name: Ahrens - first_name: Linda J. W. full_name: Shimon, Linda J. W. last_name: Shimon - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Gemen J, Ahrens J, Shimon LJW, Klajn R. Modulating the optical properties of BODIPY dyes by noncovalent dimerization within a flexible coordination cage. Journal of the American Chemical Society. 2020;142(41):17721-17729. doi:10.1021/jacs.0c08589 apa: Gemen, J., Ahrens, J., Shimon, L. J. W., & Klajn, R. (2020). Modulating the optical properties of BODIPY dyes by noncovalent dimerization within a flexible coordination cage. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.0c08589 chicago: Gemen, Julius, Johannes Ahrens, Linda J. W. Shimon, and Rafal Klajn. “Modulating the Optical Properties of BODIPY Dyes by Noncovalent Dimerization within a Flexible Coordination Cage.” Journal of the American Chemical Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c08589. ieee: J. Gemen, J. Ahrens, L. J. W. Shimon, and R. Klajn, “Modulating the optical properties of BODIPY dyes by noncovalent dimerization within a flexible coordination cage,” Journal of the American Chemical Society, vol. 142, no. 41. American Chemical Society, pp. 17721–17729, 2020. ista: Gemen J, Ahrens J, Shimon LJW, Klajn R. 2020. Modulating the optical properties of BODIPY dyes by noncovalent dimerization within a flexible coordination cage. Journal of the American Chemical Society. 142(41), 17721–17729. mla: Gemen, Julius, et al. “Modulating the Optical Properties of BODIPY Dyes by Noncovalent Dimerization within a Flexible Coordination Cage.” Journal of the American Chemical Society, vol. 142, no. 41, American Chemical Society, 2020, pp. 17721–29, doi:10.1021/jacs.0c08589. short: J. Gemen, J. Ahrens, L.J.W. Shimon, R. Klajn, Journal of the American Chemical Society 142 (2020) 17721–17729. date_created: 2023-08-01T09:36:10Z date_published: 2020-10-04T00:00:00Z date_updated: 2023-08-07T10:09:54Z day: '04' doi: 10.1021/jacs.0c08589 extern: '1' external_id: pmid: - '33006898' intvolume: ' 142' issue: '41' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/jacs.0c08589 month: '10' oa: 1 oa_version: Published Version page: 17721-17729 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Modulating the optical properties of BODIPY dyes by noncovalent dimerization within a flexible coordination cage type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 142 year: '2020' ... --- _id: '13364' abstract: - lang: eng text: Photochromic molecules undergo reversible isomerization upon irradiation with light at different wavelengths, a process that can alter their physical and chemical properties. For instance, dihydropyrene (DHP) is a deep-colored compound that isomerizes to light-brown cyclophanediene (CPD) upon irradiation with visible light. CPD can then isomerize back to DHP upon irradiation with UV light or thermally in the dark. Conversion between DHP and CPD is thought to proceed via a biradical intermediate; bimolecular events involving this unstable intermediate thus result in rapid decomposition and poor cycling performance. Here, we show that the reversible isomerization of DHP can be stabilized upon confinement within a PdII6L4 coordination cage. By protecting this reactive intermediate using the cage, each isomerization reaction proceeds to higher yield, which significantly decreases the fatigue experienced by the system upon repeated photocycling. Although molecular confinement is known to help stabilize reactive species, this effect is not typically employed to protect reactive intermediates and thus improve reaction yields. We envisage that performing reactions under confinement will not only improve the cyclic performance of photochromic molecules, but may also increase the amount of product obtainable from traditionally low-yielding organic reactions. article_processing_charge: No article_type: original author: - first_name: Martina full_name: Canton, Martina last_name: Canton - first_name: Angela B. full_name: Grommet, Angela B. last_name: Grommet - first_name: Luca full_name: Pesce, Luca last_name: Pesce - first_name: Julius full_name: Gemen, Julius last_name: Gemen - first_name: Shiming full_name: Li, Shiming last_name: Li - first_name: Yael full_name: Diskin-Posner, Yael last_name: Diskin-Posner - first_name: Alberto full_name: Credi, Alberto last_name: Credi - first_name: Giovanni M. full_name: Pavan, Giovanni M. last_name: Pavan - first_name: Joakim full_name: Andréasson, Joakim last_name: Andréasson - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Canton M, Grommet AB, Pesce L, et al. Improving fatigue resistance of dihydropyrene by encapsulation within a coordination cage. Journal of the American Chemical Society. 2020;142(34):14557-14565. doi:10.1021/jacs.0c06146 apa: Canton, M., Grommet, A. B., Pesce, L., Gemen, J., Li, S., Diskin-Posner, Y., … Klajn, R. (2020). Improving fatigue resistance of dihydropyrene by encapsulation within a coordination cage. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.0c06146 chicago: Canton, Martina, Angela B. Grommet, Luca Pesce, Julius Gemen, Shiming Li, Yael Diskin-Posner, Alberto Credi, Giovanni M. Pavan, Joakim Andréasson, and Rafal Klajn. “Improving Fatigue Resistance of Dihydropyrene by Encapsulation within a Coordination Cage.” Journal of the American Chemical Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c06146. ieee: M. Canton et al., “Improving fatigue resistance of dihydropyrene by encapsulation within a coordination cage,” Journal of the American Chemical Society, vol. 142, no. 34. American Chemical Society, pp. 14557–14565, 2020. ista: Canton M, Grommet AB, Pesce L, Gemen J, Li S, Diskin-Posner Y, Credi A, Pavan GM, Andréasson J, Klajn R. 2020. Improving fatigue resistance of dihydropyrene by encapsulation within a coordination cage. Journal of the American Chemical Society. 142(34), 14557–14565. mla: Canton, Martina, et al. “Improving Fatigue Resistance of Dihydropyrene by Encapsulation within a Coordination Cage.” Journal of the American Chemical Society, vol. 142, no. 34, American Chemical Society, 2020, pp. 14557–65, doi:10.1021/jacs.0c06146. short: M. Canton, A.B. Grommet, L. Pesce, J. Gemen, S. Li, Y. Diskin-Posner, A. Credi, G.M. Pavan, J. Andréasson, R. Klajn, Journal of the American Chemical Society 142 (2020) 14557–14565. date_created: 2023-08-01T09:36:59Z date_published: 2020-08-14T00:00:00Z date_updated: 2023-08-07T10:15:38Z day: '14' doi: 10.1021/jacs.0c06146 extern: '1' external_id: pmid: - '32791832' intvolume: ' 142' issue: '34' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/jacs.0c06146 month: '08' oa: 1 oa_version: Published Version page: 14557-14565 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Improving fatigue resistance of dihydropyrene by encapsulation within a coordination cage type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 142 year: '2020' ... --- _id: '13365' abstract: - lang: eng text: Photoswitchable molecules are employed for many applications, from the development of active materials to the design of stimuli-responsive molecular systems and light-powered molecular machines. To fully exploit their potential, we must learn ways to control the mechanism and kinetics of their photoinduced isomerization. One possible strategy involves confinement of photoresponsive switches such as azobenzenes or spiropyrans within crowded molecular environments, which may allow control over their light-induced conversion. However, the molecular factors that influence and control the switching process under realistic conditions and within dynamic molecular regimes often remain difficult to ascertain. As a case study, here we have employed molecular models to probe the isomerization of azobenzene guests within a Pd(II)-based coordination cage host in water. Atomistic molecular dynamics and metadynamics simulations allow us to characterize the flexibility of the cage in the solvent, the (rare) guest encapsulation and release events, and the relative probability/kinetics of light-induced isomerization of azobenzene analogues in these host–guest systems. In this way, we can reconstruct the mechanism of azobenzene switching inside the cage cavity and explore key molecular factors that may control this event. We obtain a molecular-level insight on the effects of crowding and host–guest interactions on azobenzene isomerization. The detailed picture elucidated by this study may enable the rational design of photoswitchable systems whose reactivity can be controlled via host–guest interactions. article_processing_charge: No article_type: original author: - first_name: Luca full_name: Pesce, Luca last_name: Pesce - first_name: Claudio full_name: Perego, Claudio last_name: Perego - first_name: Angela B. full_name: Grommet, Angela B. last_name: Grommet - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Giovanni M. full_name: Pavan, Giovanni M. last_name: Pavan citation: ama: Pesce L, Perego C, Grommet AB, Klajn R, Pavan GM. Molecular factors controlling the isomerization of Azobenzenes in the cavity of a flexible coordination cage. Journal of the American Chemical Society. 2020;142(21):9792-9802. doi:10.1021/jacs.0c03444 apa: Pesce, L., Perego, C., Grommet, A. B., Klajn, R., & Pavan, G. M. (2020). Molecular factors controlling the isomerization of Azobenzenes in the cavity of a flexible coordination cage. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.0c03444 chicago: Pesce, Luca, Claudio Perego, Angela B. Grommet, Rafal Klajn, and Giovanni M. Pavan. “Molecular Factors Controlling the Isomerization of Azobenzenes in the Cavity of a Flexible Coordination Cage.” Journal of the American Chemical Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c03444. ieee: L. Pesce, C. Perego, A. B. Grommet, R. Klajn, and G. M. Pavan, “Molecular factors controlling the isomerization of Azobenzenes in the cavity of a flexible coordination cage,” Journal of the American Chemical Society, vol. 142, no. 21. American Chemical Society, pp. 9792–9802, 2020. ista: Pesce L, Perego C, Grommet AB, Klajn R, Pavan GM. 2020. Molecular factors controlling the isomerization of Azobenzenes in the cavity of a flexible coordination cage. Journal of the American Chemical Society. 142(21), 9792–9802. mla: Pesce, Luca, et al. “Molecular Factors Controlling the Isomerization of Azobenzenes in the Cavity of a Flexible Coordination Cage.” Journal of the American Chemical Society, vol. 142, no. 21, American Chemical Society, 2020, pp. 9792–802, doi:10.1021/jacs.0c03444. short: L. Pesce, C. Perego, A.B. Grommet, R. Klajn, G.M. Pavan, Journal of the American Chemical Society 142 (2020) 9792–9802. date_created: 2023-08-01T09:37:12Z date_published: 2020-04-30T00:00:00Z date_updated: 2023-08-07T10:18:53Z day: '30' doi: 10.1021/jacs.0c03444 extern: '1' external_id: pmid: - '32353237' intvolume: ' 142' issue: '21' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1021/jacs.0c03444 month: '04' oa: 1 oa_version: Published Version page: 9792-9802 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Molecular factors controlling the isomerization of Azobenzenes in the cavity of a flexible coordination cage type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 142 year: '2020' ... --- _id: '8413' abstract: - lang: eng text: NMR relaxation dispersion methods provide a holistic way to observe microsecond time-scale protein backbone motion both in solution and in the solid state. Different nuclei (1H and 15N) and different relaxation dispersion techniques (Bloch–McConnell and near-rotary-resonance) give complementary information about the amplitudes and time scales of the conformational dynamics and provide comprehensive insights into the mechanistic details of the structural rearrangements. In this paper, we exemplify the benefits of the combination of various solution- and solid-state relaxation dispersion methods on a microcrystalline protein (α-spectrin SH3 domain), for which we are able to identify and model the functionally relevant conformational rearrangements around the ligand recognition loop occurring on multiple microsecond time scales. The observed loop motions suggest that the SH3 domain exists in a binding-competent conformation in dynamic equilibrium with a sterically impaired ground-state conformation both in solution and in crystalline form. This inherent plasticity between the interconverting macrostates is compatible with a conformational-preselection model and provides new insights into the recognition mechanisms of SH3 domains. article_processing_charge: No article_type: original author: - first_name: Petra full_name: Rovó, Petra last_name: Rovó - first_name: Colin A. full_name: Smith, Colin A. last_name: Smith - first_name: Diego full_name: Gauto, Diego last_name: Gauto - first_name: Bert L. full_name: de Groot, Bert L. last_name: de Groot - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 - first_name: Rasmus full_name: Linser, Rasmus last_name: Linser citation: ama: Rovó P, Smith CA, Gauto D, de Groot BL, Schanda P, Linser R. Mechanistic insights into microsecond time-scale motion of solid proteins using complementary 15N and 1H relaxation dispersion techniques. Journal of the American Chemical Society. 2019;141(2):858-869. doi:10.1021/jacs.8b09258 apa: Rovó, P., Smith, C. A., Gauto, D., de Groot, B. L., Schanda, P., & Linser, R. (2019). Mechanistic insights into microsecond time-scale motion of solid proteins using complementary 15N and 1H relaxation dispersion techniques. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.8b09258 chicago: Rovó, Petra, Colin A. Smith, Diego Gauto, Bert L. de Groot, Paul Schanda, and Rasmus Linser. “Mechanistic Insights into Microsecond Time-Scale Motion of Solid Proteins Using Complementary 15N and 1H Relaxation Dispersion Techniques.” Journal of the American Chemical Society. American Chemical Society, 2019. https://doi.org/10.1021/jacs.8b09258. ieee: P. Rovó, C. A. Smith, D. Gauto, B. L. de Groot, P. Schanda, and R. Linser, “Mechanistic insights into microsecond time-scale motion of solid proteins using complementary 15N and 1H relaxation dispersion techniques,” Journal of the American Chemical Society, vol. 141, no. 2. American Chemical Society, pp. 858–869, 2019. ista: Rovó P, Smith CA, Gauto D, de Groot BL, Schanda P, Linser R. 2019. Mechanistic insights into microsecond time-scale motion of solid proteins using complementary 15N and 1H relaxation dispersion techniques. Journal of the American Chemical Society. 141(2), 858–869. mla: Rovó, Petra, et al. “Mechanistic Insights into Microsecond Time-Scale Motion of Solid Proteins Using Complementary 15N and 1H Relaxation Dispersion Techniques.” Journal of the American Chemical Society, vol. 141, no. 2, American Chemical Society, 2019, pp. 858–69, doi:10.1021/jacs.8b09258. short: P. Rovó, C.A. Smith, D. Gauto, B.L. de Groot, P. Schanda, R. Linser, Journal of the American Chemical Society 141 (2019) 858–869. date_created: 2020-09-17T10:29:50Z date_published: 2019-01-08T00:00:00Z date_updated: 2021-01-12T08:19:07Z day: '08' doi: 10.1021/jacs.8b09258 extern: '1' external_id: pmid: - '30620186' intvolume: ' 141' issue: '2' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '01' oa_version: Submitted Version page: 858-869 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: issn: - 0002-7863 - 1520-5126 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: Mechanistic insights into microsecond time-scale motion of solid proteins using complementary 15N and 1H relaxation dispersion techniques type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 141 year: '2019' ... --- _id: '8408' abstract: - lang: eng text: Aromatic residues are located at structurally important sites of many proteins. Probing their interactions and dynamics can provide important functional insight but is challenging in large proteins. Here, we introduce approaches to characterize dynamics of phenylalanine residues using 1H-detected fast magic-angle spinning (MAS) NMR combined with a tailored isotope-labeling scheme. Our approach yields isolated two-spin systems that are ideally suited for artefact-free dynamics measurements, and allows probing motions effectively without molecular-weight limitations. The application to the TET2 enzyme assembly of ~0.5 MDa size, the currently largest protein assigned by MAS NMR, provides insights into motions occurring on a wide range of time scales (ps-ms). We quantitatively probe ring flip motions, and show the temperature dependence by MAS NMR measurements down to 100 K. Interestingly, favorable line widths are observed down to 100 K, with potential implications for DNP NMR. Furthermore, we report the first 13C R1ρ MAS NMR relaxation-dispersion measurements and detect structural excursions occurring on a microsecond time scale in the entry pore to the catalytic chamber and at a trimer interface that was proposed as exit pore. We show that the labeling scheme with deuteration at ca. 50 kHz MAS provides superior resolution compared to 100 kHz MAS experiments with protonated, uniformly 13C-labeled samples. article_processing_charge: No article_type: original author: - first_name: Diego F. full_name: Gauto, Diego F. last_name: Gauto - first_name: Pavel full_name: Macek, Pavel last_name: Macek - first_name: Alessandro full_name: Barducci, Alessandro last_name: Barducci - first_name: Hugo full_name: Fraga, Hugo last_name: Fraga - first_name: Audrey full_name: Hessel, Audrey last_name: Hessel - first_name: Tsutomu full_name: Terauchi, Tsutomu last_name: Terauchi - first_name: David full_name: Gajan, David last_name: Gajan - first_name: Yohei full_name: Miyanoiri, Yohei last_name: Miyanoiri - first_name: Jerome full_name: Boisbouvier, Jerome last_name: Boisbouvier - first_name: Roman full_name: Lichtenecker, Roman last_name: Lichtenecker - first_name: Masatsune full_name: Kainosho, Masatsune last_name: Kainosho - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 citation: ama: Gauto DF, Macek P, Barducci A, et al. Aromatic ring dynamics, thermal activation, and transient conformations of a 468 kDa enzyme by specific 1H–13C labeling and fast magic-angle spinning NMR. Journal of the American Chemical Society. 2019;141(28):11183-11195. doi:10.1021/jacs.9b04219 apa: Gauto, D. F., Macek, P., Barducci, A., Fraga, H., Hessel, A., Terauchi, T., … Schanda, P. (2019). Aromatic ring dynamics, thermal activation, and transient conformations of a 468 kDa enzyme by specific 1H–13C labeling and fast magic-angle spinning NMR. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.9b04219 chicago: Gauto, Diego F., Pavel Macek, Alessandro Barducci, Hugo Fraga, Audrey Hessel, Tsutomu Terauchi, David Gajan, et al. “Aromatic Ring Dynamics, Thermal Activation, and Transient Conformations of a 468 KDa Enzyme by Specific 1H–13C Labeling and Fast Magic-Angle Spinning NMR.” Journal of the American Chemical Society. American Chemical Society, 2019. https://doi.org/10.1021/jacs.9b04219. ieee: D. F. Gauto et al., “Aromatic ring dynamics, thermal activation, and transient conformations of a 468 kDa enzyme by specific 1H–13C labeling and fast magic-angle spinning NMR,” Journal of the American Chemical Society, vol. 141, no. 28. American Chemical Society, pp. 11183–11195, 2019. ista: Gauto DF, Macek P, Barducci A, Fraga H, Hessel A, Terauchi T, Gajan D, Miyanoiri Y, Boisbouvier J, Lichtenecker R, Kainosho M, Schanda P. 2019. Aromatic ring dynamics, thermal activation, and transient conformations of a 468 kDa enzyme by specific 1H–13C labeling and fast magic-angle spinning NMR. Journal of the American Chemical Society. 141(28), 11183–11195. mla: Gauto, Diego F., et al. “Aromatic Ring Dynamics, Thermal Activation, and Transient Conformations of a 468 KDa Enzyme by Specific 1H–13C Labeling and Fast Magic-Angle Spinning NMR.” Journal of the American Chemical Society, vol. 141, no. 28, American Chemical Society, 2019, pp. 11183–95, doi:10.1021/jacs.9b04219. short: D.F. Gauto, P. Macek, A. Barducci, H. Fraga, A. Hessel, T. Terauchi, D. Gajan, Y. Miyanoiri, J. Boisbouvier, R. Lichtenecker, M. Kainosho, P. Schanda, Journal of the American Chemical Society 141 (2019) 11183–11195. date_created: 2020-09-17T10:29:00Z date_published: 2019-06-14T00:00:00Z date_updated: 2021-01-12T08:19:04Z day: '14' doi: 10.1021/jacs.9b04219 extern: '1' external_id: pmid: - '31199882' intvolume: ' 141' issue: '28' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '06' oa_version: Submitted Version page: 11183-11195 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: issn: - 0002-7863 - 1520-5126 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: Aromatic ring dynamics, thermal activation, and transient conformations of a 468 kDa enzyme by specific 1H–13C labeling and fast magic-angle spinning NMR type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 141 year: '2019' ... --- _id: '13373' abstract: - lang: eng text: The reversible photoisomerization of azobenzene has been utilized to construct a plethora of systems in which optical, electronic, catalytic, and other properties can be controlled by light. However, owing to azobenzene’s hydrophobic nature, most of these examples have been realized only in organic solvents, and systems operating in water are relatively scarce. Here, we show that by coadsorbing the inherently hydrophobic azobenzenes with water-solubilizing ligands on the same nanoparticulate platforms, it is possible to render them essentially water-soluble. To this end, we developed a modified nanoparticle functionalization procedure allowing us to precisely fine-tune the amount of azobenzene on the functionalized nanoparticles. Molecular dynamics simulations helped us to identify two distinct supramolecular architectures (depending on the length of the background ligand) on these nanoparticles, which can explain their excellent aqueous solubilities. Azobenzenes adsorbed on these water-soluble nanoparticles exhibit highly reversible photoisomerization upon exposure to UV and visible light. Importantly, the mixed-monolayer approach allowed us to systematically investigate how the background ligand affects the switching properties of azobenzene. We found that the nature of the background ligand has a profound effect on the kinetics of azobenzene switching. For example, a hydroxy-terminated background ligand is capable of accelerating the back-isomerization reaction by more than 6000-fold. These results pave the way toward the development of novel light-responsive nanomaterials operating in aqueous media and, in the long run, in biological environments. article_processing_charge: No article_type: original author: - first_name: Zonglin full_name: Chu, Zonglin last_name: Chu - first_name: Yanxiao full_name: Han, Yanxiao last_name: Han - first_name: Tong full_name: Bian, Tong last_name: Bian - first_name: Soumen full_name: De, Soumen last_name: De - first_name: Petr full_name: Král, Petr last_name: Král - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Chu Z, Han Y, Bian T, De S, Král P, Klajn R. Supramolecular control of azobenzene switching on nanoparticles. Journal of the American Chemical Society. 2019;141(5):1949-1960. doi:10.1021/jacs.8b09638 apa: Chu, Z., Han, Y., Bian, T., De, S., Král, P., & Klajn, R. (2019). Supramolecular control of azobenzene switching on nanoparticles. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.8b09638 chicago: Chu, Zonglin, Yanxiao Han, Tong Bian, Soumen De, Petr Král, and Rafal Klajn. “Supramolecular Control of Azobenzene Switching on Nanoparticles.” Journal of the American Chemical Society. American Chemical Society, 2019. https://doi.org/10.1021/jacs.8b09638. ieee: Z. Chu, Y. Han, T. Bian, S. De, P. Král, and R. Klajn, “Supramolecular control of azobenzene switching on nanoparticles,” Journal of the American Chemical Society, vol. 141, no. 5. American Chemical Society, pp. 1949–1960, 2019. ista: Chu Z, Han Y, Bian T, De S, Král P, Klajn R. 2019. Supramolecular control of azobenzene switching on nanoparticles. Journal of the American Chemical Society. 141(5), 1949–1960. mla: Chu, Zonglin, et al. “Supramolecular Control of Azobenzene Switching on Nanoparticles.” Journal of the American Chemical Society, vol. 141, no. 5, American Chemical Society, 2019, pp. 1949–60, doi:10.1021/jacs.8b09638. short: Z. Chu, Y. Han, T. Bian, S. De, P. Král, R. Klajn, Journal of the American Chemical Society 141 (2019) 1949–1960. date_created: 2023-08-01T09:39:19Z date_published: 2019-02-06T00:00:00Z date_updated: 2023-08-07T10:51:12Z day: '06' doi: 10.1021/jacs.8b09638 extern: '1' external_id: pmid: - '30595017' intvolume: ' 141' issue: '5' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '02' oa_version: Published Version page: 1949-1960 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Supramolecular control of azobenzene switching on nanoparticles type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 141 year: '2019' ... --- _id: '13377' abstract: - lang: eng text: Confining organic molecules to the surfaces of inorganic nanoparticles can induce intermolecular interactions between them, which can affect the composition of the mixed self-assembled monolayers obtained by co-adsorption from solution of two different molecules. Two thiolated ligands (a dialkylviologen and a zwitterionic sulfobetaine) that can interact with each other electrostatically were coadsorbed onto gold nanoparticles. The nanoparticles favor a narrow range of ratios of these two molecules that is largely independent of the molar ratio in solution. Changing the solution molar ratio of the two ligands by a factor of 5 000 affects the on-nanoparticle ratio of these ligands by only threefold. This behavior is reminiscent of the formation of insoluble inorganic salts (such as AgCl), which similarly compensate positive and negative charges upon crystallizing. Our results pave the way towards developing well-defined hybrid organic–inorganic nanostructures. article_processing_charge: No article_type: original author: - first_name: Zonglin full_name: Chu, Zonglin last_name: Chu - first_name: Yanxiao full_name: Han, Yanxiao last_name: Han - first_name: Petr full_name: Král, Petr last_name: Král - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: 'Chu Z, Han Y, Král P, Klajn R. “Precipitation on nanoparticles”: Attractive intermolecular interactions stabilize specific ligand ratios on the surfaces of nanoparticles. Angewandte Chemie International Edition. 2018;57(24):7023-7027. doi:10.1002/anie.201800673' apa: 'Chu, Z., Han, Y., Král, P., & Klajn, R. (2018). “Precipitation on nanoparticles”: Attractive intermolecular interactions stabilize specific ligand ratios on the surfaces of nanoparticles. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.201800673' chicago: 'Chu, Zonglin, Yanxiao Han, Petr Král, and Rafal Klajn. “‘Precipitation on Nanoparticles’: Attractive Intermolecular Interactions Stabilize Specific Ligand Ratios on the Surfaces of Nanoparticles.” Angewandte Chemie International Edition. Wiley, 2018. https://doi.org/10.1002/anie.201800673.' ieee: 'Z. Chu, Y. Han, P. Král, and R. Klajn, “‘Precipitation on nanoparticles’: Attractive intermolecular interactions stabilize specific ligand ratios on the surfaces of nanoparticles,” Angewandte Chemie International Edition, vol. 57, no. 24. Wiley, pp. 7023–7027, 2018.' ista: 'Chu Z, Han Y, Král P, Klajn R. 2018. “Precipitation on nanoparticles”: Attractive intermolecular interactions stabilize specific ligand ratios on the surfaces of nanoparticles. Angewandte Chemie International Edition. 57(24), 7023–7027.' mla: 'Chu, Zonglin, et al. “‘Precipitation on Nanoparticles’: Attractive Intermolecular Interactions Stabilize Specific Ligand Ratios on the Surfaces of Nanoparticles.” Angewandte Chemie International Edition, vol. 57, no. 24, Wiley, 2018, pp. 7023–27, doi:10.1002/anie.201800673.' short: Z. Chu, Y. Han, P. Král, R. Klajn, Angewandte Chemie International Edition 57 (2018) 7023–7027. date_created: 2023-08-01T09:40:16Z date_published: 2018-06-11T00:00:00Z date_updated: 2023-08-07T11:14:28Z day: '11' doi: 10.1002/anie.201800673 extern: '1' external_id: pmid: - '29673022' intvolume: ' 57' issue: '24' keyword: - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1002/anie.201800673 month: '06' oa: 1 oa_version: Published Version page: 7023-7027 pmid: 1 publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: '“Precipitation on nanoparticles”: Attractive intermolecular interactions stabilize specific ligand ratios on the surfaces of nanoparticles' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 57 year: '2018' ... --- _id: '13380' abstract: - lang: eng text: Although dissipative self-assembly is ubiquitous in nature, where it gives rise to structures and functions critical to life, examples of artificial systems featuring this mode of self-assembly are rare. Here, we identify the presence of ephemeral assemblies during seeded growth of gold nanoparticles. In this process, hydrazine reduces Au(III) ions, which attach to the existing nanoparticles “seeds”. The attachment is accompanied by a local increase in the concentration of a surfactant, which therefore forms a bilayer on nanoparticle surfaces, inducing their assembly. The resulting aggregates gradually disassemble as the surfactant concentration throughout the solution equilibrates. The lifetimes of the out-of-equilibrium aggregates depend on and can be controlled by the size of the constituent nanoparticles. We demonstrate the utility of our out-of-equilibrium aggregates to form transient reflective coatings on polar surfaces. article_processing_charge: No article_type: original author: - first_name: Michał full_name: Sawczyk, Michał last_name: Sawczyk - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Sawczyk M, Klajn R. Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles. Journal of the American Chemical Society. 2017;139(49):17973-17978. doi:10.1021/jacs.7b09111 apa: Sawczyk, M., & Klajn, R. (2017). Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.7b09111 chicago: Sawczyk, Michał, and Rafal Klajn. “Out-of-Equilibrium Aggregates and Coatings during Seeded Growth of Metallic Nanoparticles.” Journal of the American Chemical Society. American Chemical Society, 2017. https://doi.org/10.1021/jacs.7b09111. ieee: M. Sawczyk and R. Klajn, “Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles,” Journal of the American Chemical Society, vol. 139, no. 49. American Chemical Society, pp. 17973–17978, 2017. ista: Sawczyk M, Klajn R. 2017. Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles. Journal of the American Chemical Society. 139(49), 17973–17978. mla: Sawczyk, Michał, and Rafal Klajn. “Out-of-Equilibrium Aggregates and Coatings during Seeded Growth of Metallic Nanoparticles.” Journal of the American Chemical Society, vol. 139, no. 49, American Chemical Society, 2017, pp. 17973–78, doi:10.1021/jacs.7b09111. short: M. Sawczyk, R. Klajn, Journal of the American Chemical Society 139 (2017) 17973–17978. date_created: 2023-08-01T09:41:01Z date_published: 2017-12-01T00:00:00Z date_updated: 2023-08-07T11:19:30Z day: '01' doi: 10.1021/jacs.7b09111 extern: '1' external_id: pmid: - '29193964' intvolume: ' 139' issue: '49' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '12' oa_version: None page: 17973-17978 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Out-of-equilibrium aggregates and coatings during seeded growth of metallic nanoparticles type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 139 year: '2017' ... --- _id: '8455' abstract: - lang: eng text: Solid-state NMR spectroscopy allows the characterization of the structure, interactions and dynamics of insoluble and/or very large proteins. Sensitivity and resolution are often major challenges for obtaining atomic-resolution information, in particular for very large protein complexes. Here we show that the use of deuterated, specifically CH3-labelled proteins result in significant sensitivity gains compared to previously employed CHD2 labelling, while line widths increase only marginally. We apply this labelling strategy to a 468 kDa-large dodecameric aminopeptidase, TET2, and the 1.6 MDa-large 50S ribosome subunit of Thermus thermophilus. article_processing_charge: No article_type: original author: - first_name: Vilius full_name: Kurauskas, Vilius last_name: Kurauskas - first_name: Elodie full_name: Crublet, Elodie last_name: Crublet - first_name: Pavel full_name: Macek, Pavel last_name: Macek - first_name: Rime full_name: Kerfah, Rime last_name: Kerfah - first_name: Diego F. full_name: Gauto, Diego F. last_name: Gauto - first_name: Jérôme full_name: Boisbouvier, Jérôme last_name: Boisbouvier - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 citation: ama: 'Kurauskas V, Crublet E, Macek P, et al. Sensitive proton-detected solid-state NMR spectroscopy of large proteins with selective CH3labelling: Application to the 50S ribosome subunit. Chemical Communications. 2016;52(61):9558-9561. doi:10.1039/c6cc04484k' apa: 'Kurauskas, V., Crublet, E., Macek, P., Kerfah, R., Gauto, D. F., Boisbouvier, J., & Schanda, P. (2016). Sensitive proton-detected solid-state NMR spectroscopy of large proteins with selective CH3labelling: Application to the 50S ribosome subunit. Chemical Communications. Royal Society of Chemistry. https://doi.org/10.1039/c6cc04484k' chicago: 'Kurauskas, Vilius, Elodie Crublet, Pavel Macek, Rime Kerfah, Diego F. Gauto, Jérôme Boisbouvier, and Paul Schanda. “Sensitive Proton-Detected Solid-State NMR Spectroscopy of Large Proteins with Selective CH3labelling: Application to the 50S Ribosome Subunit.” Chemical Communications. Royal Society of Chemistry, 2016. https://doi.org/10.1039/c6cc04484k.' ieee: 'V. Kurauskas et al., “Sensitive proton-detected solid-state NMR spectroscopy of large proteins with selective CH3labelling: Application to the 50S ribosome subunit,” Chemical Communications, vol. 52, no. 61. Royal Society of Chemistry, pp. 9558–9561, 2016.' ista: 'Kurauskas V, Crublet E, Macek P, Kerfah R, Gauto DF, Boisbouvier J, Schanda P. 2016. Sensitive proton-detected solid-state NMR spectroscopy of large proteins with selective CH3labelling: Application to the 50S ribosome subunit. Chemical Communications. 52(61), 9558–9561.' mla: 'Kurauskas, Vilius, et al. “Sensitive Proton-Detected Solid-State NMR Spectroscopy of Large Proteins with Selective CH3labelling: Application to the 50S Ribosome Subunit.” Chemical Communications, vol. 52, no. 61, Royal Society of Chemistry, 2016, pp. 9558–61, doi:10.1039/c6cc04484k.' short: V. Kurauskas, E. Crublet, P. Macek, R. Kerfah, D.F. Gauto, J. Boisbouvier, P. Schanda, Chemical Communications 52 (2016) 9558–9561. date_created: 2020-09-18T10:07:29Z date_published: 2016-07-04T00:00:00Z date_updated: 2021-01-12T08:19:23Z day: '04' doi: 10.1039/c6cc04484k extern: '1' intvolume: ' 52' issue: '61' keyword: - Materials Chemistry - Electronic - Optical and Magnetic Materials - General Chemistry - Surfaces - Coatings and Films - Metals and Alloys - Ceramics and Composites - Catalysis language: - iso: eng month: '07' oa_version: None page: 9558-9561 publication: Chemical Communications publication_identifier: issn: - 1359-7345 - 1364-548X publication_status: published publisher: Royal Society of Chemistry quality_controlled: '1' status: public title: 'Sensitive proton-detected solid-state NMR spectroscopy of large proteins with selective CH3labelling: Application to the 50S ribosome subunit' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 52 year: '2016' ... --- _id: '13393' abstract: - lang: eng text: Precise control of the self-assembly of selected components within complex mixtures is a challenging goal whose realization is important for fabricating novel nanomaterials. Herein we show that by decorating the surfaces of metallic nanoparticles with differently substituted azobenzenes, it is possible to modulate the wavelength of light at which the self-assembly of these nanoparticles is induced. Exposing a mixture of two types of nanoparticles, each functionalized with a different azobenzene, to UV or blue light induces the selective self-assembly of only one type of nanoparticles. Irradiation with the other wavelength triggers the disassembly of the aggregates, and the simultaneous self-assembly of nanoparticles of the other type. By placing both types of azobenzenes on the same nanoparticles, we created unique materials (“frustrated” nanoparticles) whose self-assembly is induced irrespective of the wavelength of the incident light. article_processing_charge: No article_type: original author: - first_name: Debasish full_name: Manna, Debasish last_name: Manna - first_name: Thumu full_name: Udayabhaskararao, Thumu last_name: Udayabhaskararao - first_name: Hui full_name: Zhao, Hui last_name: Zhao - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Manna D, Udayabhaskararao T, Zhao H, Klajn R. Orthogonal light-induced self-assembly of nanoparticles using differently substituted azobenzenes. Angewandte Chemie International Edition. 2015;54(42):12394-12397. doi:10.1002/anie.201502419 apa: Manna, D., Udayabhaskararao, T., Zhao, H., & Klajn, R. (2015). Orthogonal light-induced self-assembly of nanoparticles using differently substituted azobenzenes. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.201502419 chicago: Manna, Debasish, Thumu Udayabhaskararao, Hui Zhao, and Rafal Klajn. “Orthogonal Light-Induced Self-Assembly of Nanoparticles Using Differently Substituted Azobenzenes.” Angewandte Chemie International Edition. Wiley, 2015. https://doi.org/10.1002/anie.201502419. ieee: D. Manna, T. Udayabhaskararao, H. Zhao, and R. Klajn, “Orthogonal light-induced self-assembly of nanoparticles using differently substituted azobenzenes,” Angewandte Chemie International Edition, vol. 54, no. 42. Wiley, pp. 12394–12397, 2015. ista: Manna D, Udayabhaskararao T, Zhao H, Klajn R. 2015. Orthogonal light-induced self-assembly of nanoparticles using differently substituted azobenzenes. Angewandte Chemie International Edition. 54(42), 12394–12397. mla: Manna, Debasish, et al. “Orthogonal Light-Induced Self-Assembly of Nanoparticles Using Differently Substituted Azobenzenes.” Angewandte Chemie International Edition, vol. 54, no. 42, Wiley, 2015, pp. 12394–97, doi:10.1002/anie.201502419. short: D. Manna, T. Udayabhaskararao, H. Zhao, R. Klajn, Angewandte Chemie International Edition 54 (2015) 12394–12397. date_created: 2023-08-01T09:44:19Z date_published: 2015-10-01T00:00:00Z date_updated: 2023-08-07T12:58:29Z day: '01' doi: 10.1002/anie.201502419 extern: '1' external_id: pmid: - '25959725' intvolume: ' 54' issue: '42' keyword: - General Chemistry - Catalysis language: - iso: eng month: '10' oa_version: None page: 12394-12397 pmid: 1 publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: Orthogonal light-induced self-assembly of nanoparticles using differently substituted azobenzenes type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 54 year: '2015' ... --- _id: '13395' abstract: - lang: eng text: Metallic nanoparticles co-functionalised with monolayers of UV- and CO2-sensitive ligands were prepared and shown to respond to these two types of stimuli reversibly and in an orthogonal fashion. The composition of the coating could be tailored to yield nanoparticles capable of aggregating exclusively when both UV and CO2 were applied at the same time, analogously to the behaviour of an AND logic gate. article_processing_charge: No article_type: original author: - first_name: Ji-Woong full_name: Lee, Ji-Woong last_name: Lee - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Lee J-W, Klajn R. Dual-responsive nanoparticles that aggregate under the simultaneous action of light and CO2. Chemical Communications. 2015;51(11):2036-2039. doi:10.1039/c4cc08541h apa: Lee, J.-W., & Klajn, R. (2015). Dual-responsive nanoparticles that aggregate under the simultaneous action of light and CO2. Chemical Communications. Royal Society of Chemistry. https://doi.org/10.1039/c4cc08541h chicago: Lee, Ji-Woong, and Rafal Klajn. “Dual-Responsive Nanoparticles That Aggregate under the Simultaneous Action of Light and CO2.” Chemical Communications. Royal Society of Chemistry, 2015. https://doi.org/10.1039/c4cc08541h. ieee: J.-W. Lee and R. Klajn, “Dual-responsive nanoparticles that aggregate under the simultaneous action of light and CO2,” Chemical Communications, vol. 51, no. 11. Royal Society of Chemistry, pp. 2036–2039, 2015. ista: Lee J-W, Klajn R. 2015. Dual-responsive nanoparticles that aggregate under the simultaneous action of light and CO2. Chemical Communications. 51(11), 2036–2039. mla: Lee, Ji-Woong, and Rafal Klajn. “Dual-Responsive Nanoparticles That Aggregate under the Simultaneous Action of Light and CO2.” Chemical Communications, vol. 51, no. 11, Royal Society of Chemistry, 2015, pp. 2036–39, doi:10.1039/c4cc08541h. short: J.-W. Lee, R. Klajn, Chemical Communications 51 (2015) 2036–2039. date_created: 2023-08-01T09:44:48Z date_published: 2015-11-18T00:00:00Z date_updated: 2023-08-07T13:01:53Z day: '18' doi: 10.1039/c4cc08541h extern: '1' external_id: pmid: - '25417754' intvolume: ' 51' issue: '11' keyword: - Materials Chemistry - Metals and Alloys - Surfaces - Coatings and Films - General Chemistry - Ceramics and Composites - Electronic - Optical and Magnetic Materials - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1039/C4CC08541H month: '11' oa: 1 oa_version: Published Version page: 2036-2039 pmid: 1 publication: Chemical Communications publication_identifier: eissn: - 1364-548X issn: - 1359-7345 publication_status: published publisher: Royal Society of Chemistry quality_controlled: '1' scopus_import: '1' status: public title: Dual-responsive nanoparticles that aggregate under the simultaneous action of light and CO2 type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 51 year: '2015' ... --- _id: '13401' abstract: - lang: eng text: A compound combining the features of a molecular rotor and a photoswitch was synthesized and was shown to exist as three diastereomers, which interconvert via a reversible cyclic reaction scheme. Each of the three diastereomers was isolated, and by following the equilibration kinetics, activation barriers for all reactions were calculated. The results indicate that the properties of molecular switches depend heavily on their immediate chemical environment. The conclusions are important in the context of designing new switchable molecules and materials. article_processing_charge: No article_type: original author: - first_name: Pintu K. full_name: Kundu, Pintu K. last_name: Kundu - first_name: Avishai full_name: Lerner, Avishai last_name: Lerner - first_name: Kristina full_name: Kučanda, Kristina last_name: Kučanda - first_name: Gregory full_name: Leitus, Gregory last_name: Leitus - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Kundu PK, Lerner A, Kučanda K, Leitus G, Klajn R. Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran. Journal of the American Chemical Society. 2014;136(32):11276-11279. doi:10.1021/ja505948q apa: Kundu, P. K., Lerner, A., Kučanda, K., Leitus, G., & Klajn, R. (2014). Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja505948q chicago: Kundu, Pintu K., Avishai Lerner, Kristina Kučanda, Gregory Leitus, and Rafal Klajn. “Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.” Journal of the American Chemical Society. American Chemical Society, 2014. https://doi.org/10.1021/ja505948q. ieee: P. K. Kundu, A. Lerner, K. Kučanda, G. Leitus, and R. Klajn, “Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran,” Journal of the American Chemical Society, vol. 136, no. 32. American Chemical Society, pp. 11276–11279, 2014. ista: Kundu PK, Lerner A, Kučanda K, Leitus G, Klajn R. 2014. Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran. Journal of the American Chemical Society. 136(32), 11276–11279. mla: Kundu, Pintu K., et al. “Cyclic Kinetics during Thermal Equilibration of an Axially Chiral Bis-Spiropyran.” Journal of the American Chemical Society, vol. 136, no. 32, American Chemical Society, 2014, pp. 11276–79, doi:10.1021/ja505948q. short: P.K. Kundu, A. Lerner, K. Kučanda, G. Leitus, R. Klajn, Journal of the American Chemical Society 136 (2014) 11276–11279. date_created: 2023-08-01T09:46:12Z date_published: 2014-08-13T00:00:00Z date_updated: 2023-08-08T07:25:37Z day: '13' doi: 10.1021/ja505948q extern: '1' external_id: pmid: - '25072292' intvolume: ' 136' issue: '32' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '08' oa_version: None page: 11276-11279 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Cyclic kinetics during thermal equilibration of an axially chiral bis-spiropyran type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 136 year: '2014' ... --- _id: '13403' abstract: - lang: eng text: We show that bimolecular reactions between species confined to the surfaces of nanoparticles can be manipulated by the nature of the linker, as well as by the curvature of the underlying particles. article_processing_charge: No article_type: original author: - first_name: Tino full_name: Zdobinsky, Tino last_name: Zdobinsky - first_name: Pradipta full_name: Sankar Maiti, Pradipta last_name: Sankar Maiti - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Zdobinsky T, Sankar Maiti P, Klajn R. Support curvature and conformational freedom control chemical reactivity of immobilized species. Journal of the American Chemical Society. 2014;136(7):2711-2714. doi:10.1021/ja411573a apa: Zdobinsky, T., Sankar Maiti, P., & Klajn, R. (2014). Support curvature and conformational freedom control chemical reactivity of immobilized species. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja411573a chicago: Zdobinsky, Tino, Pradipta Sankar Maiti, and Rafal Klajn. “Support Curvature and Conformational Freedom Control Chemical Reactivity of Immobilized Species.” Journal of the American Chemical Society. American Chemical Society, 2014. https://doi.org/10.1021/ja411573a. ieee: T. Zdobinsky, P. Sankar Maiti, and R. Klajn, “Support curvature and conformational freedom control chemical reactivity of immobilized species,” Journal of the American Chemical Society, vol. 136, no. 7. American Chemical Society, pp. 2711–2714, 2014. ista: Zdobinsky T, Sankar Maiti P, Klajn R. 2014. Support curvature and conformational freedom control chemical reactivity of immobilized species. Journal of the American Chemical Society. 136(7), 2711–2714. mla: Zdobinsky, Tino, et al. “Support Curvature and Conformational Freedom Control Chemical Reactivity of Immobilized Species.” Journal of the American Chemical Society, vol. 136, no. 7, American Chemical Society, 2014, pp. 2711–14, doi:10.1021/ja411573a. short: T. Zdobinsky, P. Sankar Maiti, R. Klajn, Journal of the American Chemical Society 136 (2014) 2711–2714. date_created: 2023-08-01T09:46:44Z date_published: 2014-02-19T00:00:00Z date_updated: 2023-08-08T07:32:11Z day: '19' doi: 10.1021/ja411573a extern: '1' external_id: pmid: - '24320557' intvolume: ' 136' issue: '7' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '02' oa_version: None page: 2711-2714 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Support curvature and conformational freedom control chemical reactivity of immobilized species type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 136 year: '2014' ... --- _id: '9167' abstract: - lang: eng text: We introduce a self-propelled colloidal hematite docker that can be steered to a small particle cargo many times its size, dock, transport the cargo to a remote location, and then release it. The self-propulsion and docking are reversible and activated by visible light. The docker can be steered either by a weak uniform magnetic field or by nanoscale tracks in a textured substrate. The light-activated motion and docking originate from osmotic/phoretic particle transport in a concentration gradient of fuel, hydrogen peroxide, induced by the photocatalytic activity of the hematite. The docking mechanism is versatile and can be applied to various materials and shapes. The hematite dockers are simple single-component particles and are synthesized in bulk quantities. This system opens up new possibilities for designing complex micrometer-size factories as well as new biomimetic systems. article_processing_charge: No article_type: original author: - first_name: Jérémie A full_name: Palacci, Jérémie A id: 8fb92548-2b22-11eb-b7c1-a3f0d08d7c7d last_name: Palacci orcid: 0000-0002-7253-9465 - first_name: Stefano full_name: Sacanna, Stefano last_name: Sacanna - first_name: Adrian full_name: Vatchinsky, Adrian last_name: Vatchinsky - first_name: Paul M. full_name: Chaikin, Paul M. last_name: Chaikin - first_name: David J. full_name: Pine, David J. last_name: Pine citation: ama: Palacci JA, Sacanna S, Vatchinsky A, Chaikin PM, Pine DJ. Photoactivated colloidal dockers for cargo transportation. Journal of the American Chemical Society. 2013;135(43):15978-15981. doi:10.1021/ja406090s apa: Palacci, J. A., Sacanna, S., Vatchinsky, A., Chaikin, P. M., & Pine, D. J. (2013). Photoactivated colloidal dockers for cargo transportation. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja406090s chicago: Palacci, Jérémie A, Stefano Sacanna, Adrian Vatchinsky, Paul M. Chaikin, and David J. Pine. “Photoactivated Colloidal Dockers for Cargo Transportation.” Journal of the American Chemical Society. American Chemical Society, 2013. https://doi.org/10.1021/ja406090s. ieee: J. A. Palacci, S. Sacanna, A. Vatchinsky, P. M. Chaikin, and D. J. Pine, “Photoactivated colloidal dockers for cargo transportation,” Journal of the American Chemical Society, vol. 135, no. 43. American Chemical Society, pp. 15978–15981, 2013. ista: Palacci JA, Sacanna S, Vatchinsky A, Chaikin PM, Pine DJ. 2013. Photoactivated colloidal dockers for cargo transportation. Journal of the American Chemical Society. 135(43), 15978–15981. mla: Palacci, Jérémie A., et al. “Photoactivated Colloidal Dockers for Cargo Transportation.” Journal of the American Chemical Society, vol. 135, no. 43, American Chemical Society, 2013, pp. 15978–81, doi:10.1021/ja406090s. short: J.A. Palacci, S. Sacanna, A. Vatchinsky, P.M. Chaikin, D.J. Pine, Journal of the American Chemical Society 135 (2013) 15978–15981. date_created: 2021-02-18T14:31:26Z date_published: 2013-10-30T00:00:00Z date_updated: 2021-02-22T10:10:41Z day: '30' doi: 10.1021/ja406090s extern: '1' external_id: arxiv: - '1310.5724' pmid: - '24131488' intvolume: ' 135' issue: '43' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng main_file_link: - open_access: '1' url: https://arxiv.org/abs/1310.5724 month: '10' oa: 1 oa_version: Preprint page: 15978-15981 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - '15205126' issn: - '00027863' publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Photoactivated colloidal dockers for cargo transportation type: journal_article user_id: D865714E-FA4E-11E9-B85B-F5C5E5697425 volume: 135 year: '2013' ... --- _id: '13407' abstract: - lang: eng text: We show that diamagnetic particles can be remotely manipulated by a magnet by the reversible adsorption of dual-responsive, light-switchable/superparamagnetic nanoparticles down to their surface. Adsorption occurs upon exposure to UV light, and can be reversed thermally or by ambient light. The dynamic self-assembly of thin films of the dual-responsive nanoparticles induces attractive interactions between diamagnetic particles. We demonstrate that catalytic amounts of the dual-responsive nanoparticles are sufficient to magnetically guide and deliver the diamagnetic particles to desired locations, where they can then be released by disassembling the dynamic layers of superparamagnetic nanoparticles with visible light. article_processing_charge: No article_type: original author: - first_name: Olga full_name: Chovnik, Olga last_name: Chovnik - first_name: Renata full_name: Balgley, Renata last_name: Balgley - first_name: Joel R. full_name: Goldman, Joel R. last_name: Goldman - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn citation: ama: Chovnik O, Balgley R, Goldman JR, Klajn R. Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets. Journal of the American Chemical Society. 2012;134(48):19564-19567. doi:10.1021/ja309633v apa: Chovnik, O., Balgley, R., Goldman, J. R., & Klajn, R. (2012). Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja309633v chicago: Chovnik, Olga, Renata Balgley, Joel R. Goldman, and Rafal Klajn. “Dynamically Self-Assembling Carriers Enable Guiding of Diamagnetic Particles by Weak Magnets.” Journal of the American Chemical Society. American Chemical Society, 2012. https://doi.org/10.1021/ja309633v. ieee: O. Chovnik, R. Balgley, J. R. Goldman, and R. Klajn, “Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets,” Journal of the American Chemical Society, vol. 134, no. 48. American Chemical Society, pp. 19564–19567, 2012. ista: Chovnik O, Balgley R, Goldman JR, Klajn R. 2012. Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets. Journal of the American Chemical Society. 134(48), 19564–19567. mla: Chovnik, Olga, et al. “Dynamically Self-Assembling Carriers Enable Guiding of Diamagnetic Particles by Weak Magnets.” Journal of the American Chemical Society, vol. 134, no. 48, American Chemical Society, 2012, pp. 19564–67, doi:10.1021/ja309633v. short: O. Chovnik, R. Balgley, J.R. Goldman, R. Klajn, Journal of the American Chemical Society 134 (2012) 19564–19567. date_created: 2023-08-01T09:47:42Z date_published: 2012-11-26T00:00:00Z date_updated: 2023-08-08T07:51:10Z day: '26' doi: 10.1021/ja309633v extern: '1' external_id: pmid: - '23181449' intvolume: ' 134' issue: '48' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '11' oa_version: Published Version page: 19564-19567 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Dynamically self-assembling carriers enable guiding of diamagnetic particles by weak magnets type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 134 year: '2012' ... --- _id: '13410' abstract: - lang: eng text: A range (Au, Pt, Pd) of metal nanoparticles (MNPs) has been prepared and functionalized with (a) redox-active stalks containing tetrathiafulvalene (TTF) units, (b) [2]pseudorotaxanes formed between these stalks and cyclobis(paraquat-p-phenylene) (CBPQT4+) rings, and (c) bistable [2]rotaxane molecules where the dumbbell component contains a 1,5-dioxynaphthalene (DNP) unit, as well as a TTF unit, encircled by a CBPQT4+ ring. It transpires that the molecules present in (a) and (c) and the supermolecules described in (b) retain their switching characteristics, previously observed in solution, when they are immobilized onto MNPs. Moreover, their oxidation potentials depend on the fraction, χ, of the molecules or supermolecules on the surface of the nanoparticles. A variation in χ affects the oxidation potentials of the TTF units to the extent that switching can be subjected to fine tuning as a result. Specifically, increasing χ results in positive shifts (i) in the oxidation potentials of the TTF unit in (a)−(c) and (ii) the reduction potentials of the CBPQT4+ rings in (c). These shifts can be attributed to an increase in the electrostatic potential surrounding the MNPs. Both the magnitude and the direction of these shifts are reproduced by a model, based on the Poisson−Boltzmann equation coupled with charge-regulating boundary conditions. Furthermore, the kinetics of relaxation from the metastable state coconformation (MSCC) to the ground-state coconformation (GSCC) of the bistable [2]rotaxane molecules also depends on χ, as well as on the nanoparticle diameter. Increasing either of these parameters accelerates the rate of relaxation from the MSCC to the GSCC. This rate is a function of (i) the activation energy for the relaxation process associated with the bistable [2]rotaxane molecules in solution and (ii) the electrostatic potential surrounding the MNPs. The electrostatic potential depends on (i) the diameter of the MNPs, (ii) the amount of the bistable [2]rotaxane molecules on the surface of the MNPs, and (iii) the equilibrium distribution of the CBPQT4+ rings between the DNP and TTF recognition sites in the GSCC. This electrostatic potential has also been quantified using the Poisson−Boltzmann equation, leading to faithful estimates of the rate constants. article_processing_charge: No article_type: original author: - first_name: Ali full_name: Coskun, Ali last_name: Coskun - first_name: Paul J. full_name: Wesson, Paul J. last_name: Wesson - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Ali full_name: Trabolsi, Ali last_name: Trabolsi - first_name: Lei full_name: Fang, Lei last_name: Fang - first_name: Mark A. full_name: Olson, Mark A. last_name: Olson - first_name: Sanjeev K. full_name: Dey, Sanjeev K. last_name: Dey - first_name: Bartosz A. full_name: Grzybowski, Bartosz A. last_name: Grzybowski - first_name: J. Fraser full_name: Stoddart, J. Fraser last_name: Stoddart citation: ama: 'Coskun A, Wesson PJ, Klajn R, et al. Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory. Journal of the American Chemical Society. 2010;132(12):4310-4320. doi:10.1021/ja9102327' apa: 'Coskun, A., Wesson, P. J., Klajn, R., Trabolsi, A., Fang, L., Olson, M. A., … Stoddart, J. F. (2010). Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja9102327' chicago: 'Coskun, Ali, Paul J. Wesson, Rafal Klajn, Ali Trabolsi, Lei Fang, Mark A. Olson, Sanjeev K. Dey, Bartosz A. Grzybowski, and J. Fraser Stoddart. “Molecular-Mechanical Switching at the Nanoparticle−solvent Interface: Practice and Theory.” Journal of the American Chemical Society. American Chemical Society, 2010. https://doi.org/10.1021/ja9102327.' ieee: 'A. Coskun et al., “Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory,” Journal of the American Chemical Society, vol. 132, no. 12. American Chemical Society, pp. 4310–4320, 2010.' ista: 'Coskun A, Wesson PJ, Klajn R, Trabolsi A, Fang L, Olson MA, Dey SK, Grzybowski BA, Stoddart JF. 2010. Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory. Journal of the American Chemical Society. 132(12), 4310–4320.' mla: 'Coskun, Ali, et al. “Molecular-Mechanical Switching at the Nanoparticle−solvent Interface: Practice and Theory.” Journal of the American Chemical Society, vol. 132, no. 12, American Chemical Society, 2010, pp. 4310–20, doi:10.1021/ja9102327.' short: A. Coskun, P.J. Wesson, R. Klajn, A. Trabolsi, L. Fang, M.A. Olson, S.K. Dey, B.A. Grzybowski, J.F. Stoddart, Journal of the American Chemical Society 132 (2010) 4310–4320. date_created: 2023-08-01T09:48:27Z date_published: 2010-03-31T00:00:00Z date_updated: 2023-08-08T08:00:31Z day: '31' doi: 10.1021/ja9102327 extern: '1' external_id: pmid: - '20218598' intvolume: ' 132' issue: '12' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '03' oa_version: None page: 4310-4320 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: 'Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 132 year: '2010' ... --- _id: '8474' abstract: - lang: eng text: Hydrogen bonds are ubiquitous interactions in proteins, and are important for their folding and functionality. Scalar coupling constants across hydrogen bonds in the protein backbone, some as small as 0.5 Hz, can be directly measured in the solid state by NMR spectroscopy (see figure). The nuclei on both sides of the hydrogen bond can be identified and the size of the coupling constant can be measured accurately. article_processing_charge: No article_type: original author: - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 - first_name: Matthias full_name: Huber, Matthias last_name: Huber - first_name: René full_name: Verel, René last_name: Verel - first_name: Matthias full_name: Ernst, Matthias last_name: Ernst - first_name: "Beatâ\x80\NH." full_name: "Meier, Beatâ\x80\NH." last_name: Meier citation: ama: Schanda P, Huber M, Verel R, Ernst M, Meier B. Direct detection of 3hJN’ hydrogen-bond scalar couplings in proteins by solid-state NMR spectroscopy. Angewandte Chemie International Edition. 2009;48(49):9322-9325. doi:10.1002/anie.200904411 apa: Schanda, P., Huber, M., Verel, R., Ernst, M., & Meier, B. (2009). Direct detection of 3hJN’ hydrogen-bond scalar couplings in proteins by solid-state NMR spectroscopy. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.200904411 chicago: "Schanda, Paul, Matthias Huber, René Verel, Matthias Ernst, and Beatâ\x80\NH. Meier. “Direct Detection of 3hJN’ Hydrogen-Bond Scalar Couplings in Proteins by Solid-State NMR Spectroscopy.” Angewandte Chemie International Edition. Wiley, 2009. https://doi.org/10.1002/anie.200904411." ieee: P. Schanda, M. Huber, R. Verel, M. Ernst, and B. Meier, “Direct detection of 3hJN’ hydrogen-bond scalar couplings in proteins by solid-state NMR spectroscopy,” Angewandte Chemie International Edition, vol. 48, no. 49. Wiley, pp. 9322–9325, 2009. ista: Schanda P, Huber M, Verel R, Ernst M, Meier B. 2009. Direct detection of 3hJN’ hydrogen-bond scalar couplings in proteins by solid-state NMR spectroscopy. Angewandte Chemie International Edition. 48(49), 9322–9325. mla: Schanda, Paul, et al. “Direct Detection of 3hJN’ Hydrogen-Bond Scalar Couplings in Proteins by Solid-State NMR Spectroscopy.” Angewandte Chemie International Edition, vol. 48, no. 49, Wiley, 2009, pp. 9322–25, doi:10.1002/anie.200904411. short: P. Schanda, M. Huber, R. Verel, M. Ernst, B. Meier, Angewandte Chemie International Edition 48 (2009) 9322–9325. date_created: 2020-09-18T10:11:33Z date_published: 2009-11-17T00:00:00Z date_updated: 2021-01-12T08:19:31Z day: '17' doi: 10.1002/anie.200904411 extern: '1' intvolume: ' 48' issue: '49' keyword: - General Chemistry - Catalysis language: - iso: eng month: '11' oa_version: None page: 9322-9325 publication: Angewandte Chemie International Edition publication_identifier: issn: - 1433-7851 - 1521-3773 publication_status: published publisher: Wiley quality_controlled: '1' status: public title: Direct detection of 3hJN' hydrogen-bond scalar couplings in proteins by solid-state NMR spectroscopy type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 48 year: '2009' ... --- _id: '13417' abstract: - lang: eng text: 'Mission Impossible: Metal nanoparticles (NPs) coated with photoresponsive ligands are used as “inks” for self-erasing “paper” whereby light-induced self-assembly of the NPs is transduced into local color changes (see picture). Depending on the degree of self-assembly, multicolor images can be written using only one type of NP ink. Duration of image erasure is regulated by the surface concentration of photoactive groups and can range from seconds to days.' article_processing_charge: No article_type: original author: - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Paul J. full_name: Wesson, Paul J. last_name: Wesson - first_name: Kyle J. M. full_name: Bishop, Kyle J. M. last_name: Bishop - first_name: Bartosz A. full_name: Grzybowski, Bartosz A. last_name: Grzybowski citation: ama: Klajn R, Wesson PJ, Bishop KJM, Grzybowski BA. Writing self-erasing images using metastable nanoparticle “inks.” Angewandte Chemie International Edition. 2009;48(38):7035-7039. doi:10.1002/anie.200901119 apa: Klajn, R., Wesson, P. J., Bishop, K. J. M., & Grzybowski, B. A. (2009). Writing self-erasing images using metastable nanoparticle “inks.” Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.200901119 chicago: Klajn, Rafal, Paul J. Wesson, Kyle J. M. Bishop, and Bartosz A. Grzybowski. “Writing Self-Erasing Images Using Metastable Nanoparticle ‘Inks.’” Angewandte Chemie International Edition. Wiley, 2009. https://doi.org/10.1002/anie.200901119. ieee: R. Klajn, P. J. Wesson, K. J. M. Bishop, and B. A. Grzybowski, “Writing self-erasing images using metastable nanoparticle ‘inks,’” Angewandte Chemie International Edition, vol. 48, no. 38. Wiley, pp. 7035–7039, 2009. ista: Klajn R, Wesson PJ, Bishop KJM, Grzybowski BA. 2009. Writing self-erasing images using metastable nanoparticle “inks”. Angewandte Chemie International Edition. 48(38), 7035–7039. mla: Klajn, Rafal, et al. “Writing Self-Erasing Images Using Metastable Nanoparticle ‘Inks.’” Angewandte Chemie International Edition, vol. 48, no. 38, Wiley, 2009, pp. 7035–39, doi:10.1002/anie.200901119. short: R. Klajn, P.J. Wesson, K.J.M. Bishop, B.A. Grzybowski, Angewandte Chemie International Edition 48 (2009) 7035–7039. date_created: 2023-08-01T10:29:38Z date_published: 2009-09-01T00:00:00Z date_updated: 2023-08-08T08:59:15Z day: '01' doi: 10.1002/anie.200901119 extern: '1' external_id: pmid: - '19533698' intvolume: ' 48' issue: '38' keyword: - General Chemistry - Catalysis language: - iso: eng month: '09' oa_version: None page: 7035-7039 pmid: 1 publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: Writing self-erasing images using metastable nanoparticle “inks” type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 48 year: '2009' ... --- _id: '13421' abstract: - lang: eng text: Side-chain poly[2]catenanes at the click of a switch! A bistable side-chain poly[2]catenane has been synthesized and found to form hierarchical self-assembled hollow superstructures of nanoscale dimensions in solution. Molecular electromechanical switching (see picture) of the material is demonstrated, and the ground-state equilibrium thermodynamics and switching kinetics are examined as the initial steps towards processible molecular-based electronic devices and nanoelectromechanical systems. article_processing_charge: No article_type: original author: - first_name: Mark A. full_name: Olson, Mark A. last_name: Olson - first_name: Adam B. full_name: Braunschweig, Adam B. last_name: Braunschweig - first_name: Lei full_name: Fang, Lei last_name: Fang - first_name: Taichi full_name: Ikeda, Taichi last_name: Ikeda - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Ali full_name: Trabolsi, Ali last_name: Trabolsi - first_name: Paul J. full_name: Wesson, Paul J. last_name: Wesson - first_name: Diego full_name: Benítez, Diego last_name: Benítez - first_name: Chad A. full_name: Mirkin, Chad A. last_name: Mirkin - first_name: Bartosz A. full_name: Grzybowski, Bartosz A. last_name: Grzybowski - first_name: J. Fraser full_name: Stoddart, J. Fraser last_name: Stoddart citation: ama: Olson MA, Braunschweig AB, Fang L, et al. A bistable poly[2]catenane forms nanosuperstructures. Angewandte Chemie International Edition. 2009;48(10):1792-1797. doi:10.1002/anie.200804558 apa: Olson, M. A., Braunschweig, A. B., Fang, L., Ikeda, T., Klajn, R., Trabolsi, A., … Stoddart, J. F. (2009). A bistable poly[2]catenane forms nanosuperstructures. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.200804558 chicago: Olson, Mark A., Adam B. Braunschweig, Lei Fang, Taichi Ikeda, Rafal Klajn, Ali Trabolsi, Paul J. Wesson, et al. “A Bistable Poly[2]Catenane Forms Nanosuperstructures.” Angewandte Chemie International Edition. Wiley, 2009. https://doi.org/10.1002/anie.200804558. ieee: M. A. Olson et al., “A bistable poly[2]catenane forms nanosuperstructures,” Angewandte Chemie International Edition, vol. 48, no. 10. Wiley, pp. 1792–1797, 2009. ista: Olson MA, Braunschweig AB, Fang L, Ikeda T, Klajn R, Trabolsi A, Wesson PJ, Benítez D, Mirkin CA, Grzybowski BA, Stoddart JF. 2009. A bistable poly[2]catenane forms nanosuperstructures. Angewandte Chemie International Edition. 48(10), 1792–1797. mla: Olson, Mark A., et al. “A Bistable Poly[2]Catenane Forms Nanosuperstructures.” Angewandte Chemie International Edition, vol. 48, no. 10, Wiley, 2009, pp. 1792–97, doi:10.1002/anie.200804558. short: M.A. Olson, A.B. Braunschweig, L. Fang, T. Ikeda, R. Klajn, A. Trabolsi, P.J. Wesson, D. Benítez, C.A. Mirkin, B.A. Grzybowski, J.F. Stoddart, Angewandte Chemie International Edition 48 (2009) 1792–1797. date_created: 2023-08-01T10:30:30Z date_published: 2009-02-23T00:00:00Z date_updated: 2023-08-08T11:12:29Z day: '23' doi: 10.1002/anie.200804558 extern: '1' external_id: pmid: - '19180620' intvolume: ' 48' issue: '10' keyword: - General Chemistry - Catalysis language: - iso: eng month: '02' oa_version: None page: 1792-1797 pmid: 1 publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: A bistable poly[2]catenane forms nanosuperstructures type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 48 year: '2009' ... --- _id: '13420' abstract: - lang: eng text: Weakly protected metal nanoparticles (MNPs) are used as precursors for the preparation of catenane- and pseudorotaxane-decorated NPs of various compositions (gold, palladium, platinum). When attached to the surface of MNPs, the molecular switches retain their switching abilities. The redox potentials of these switches depend on and can be regulated by the composition of the mixed self-assembled monolayers covering the MNPs. article_processing_charge: No article_type: original author: - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Lei full_name: Fang, Lei last_name: Fang - first_name: Ali full_name: Coskun, Ali last_name: Coskun - first_name: Mark A. full_name: Olson, Mark A. last_name: Olson - first_name: Paul J. full_name: Wesson, Paul J. last_name: Wesson - first_name: J. Fraser full_name: Stoddart, J. Fraser last_name: Stoddart - first_name: Bartosz A. full_name: Grzybowski, Bartosz A. last_name: Grzybowski citation: ama: Klajn R, Fang L, Coskun A, et al. Metal nanoparticles functionalized with molecular and supramolecular switches. Journal of the American Chemical Society. 2009;131(12):4233-4235. doi:10.1021/ja9001585 apa: Klajn, R., Fang, L., Coskun, A., Olson, M. A., Wesson, P. J., Stoddart, J. F., & Grzybowski, B. A. (2009). Metal nanoparticles functionalized with molecular and supramolecular switches. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja9001585 chicago: Klajn, Rafal, Lei Fang, Ali Coskun, Mark A. Olson, Paul J. Wesson, J. Fraser Stoddart, and Bartosz A. Grzybowski. “Metal Nanoparticles Functionalized with Molecular and Supramolecular Switches.” Journal of the American Chemical Society. American Chemical Society, 2009. https://doi.org/10.1021/ja9001585. ieee: R. Klajn et al., “Metal nanoparticles functionalized with molecular and supramolecular switches,” Journal of the American Chemical Society, vol. 131, no. 12. American Chemical Society, pp. 4233–4235, 2009. ista: Klajn R, Fang L, Coskun A, Olson MA, Wesson PJ, Stoddart JF, Grzybowski BA. 2009. Metal nanoparticles functionalized with molecular and supramolecular switches. Journal of the American Chemical Society. 131(12), 4233–4235. mla: Klajn, Rafal, et al. “Metal Nanoparticles Functionalized with Molecular and Supramolecular Switches.” Journal of the American Chemical Society, vol. 131, no. 12, American Chemical Society, 2009, pp. 4233–35, doi:10.1021/ja9001585. short: R. Klajn, L. Fang, A. Coskun, M.A. Olson, P.J. Wesson, J.F. Stoddart, B.A. Grzybowski, Journal of the American Chemical Society 131 (2009) 4233–4235. date_created: 2023-08-01T10:30:17Z date_published: 2009-04-01T00:00:00Z date_updated: 2023-08-08T09:06:00Z day: '01' doi: 10.1021/ja9001585 extern: '1' external_id: pmid: - '19265400' intvolume: ' 131' issue: '12' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '04' oa_version: None page: 4233-4235 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Metal nanoparticles functionalized with molecular and supramolecular switches type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 131 year: '2009' ... --- _id: '8487' abstract: - lang: eng text: Following unidirectional biophysical events such as the folding of proteins or the equilibration of binding interactions, requires experimental methods that yield information at both atomic-level resolution and at high repetition rates. Toward this end a number of different approaches enabling the rapid acquisition of 2D NMR spectra have been recently introduced, including spatially encoded “ultrafast” 2D NMR spectroscopy and SOFAST HMQC NMR. Whereas the former accelerates acquisitions by reducing the number of scans that are necessary for completing arbitrary 2D NMR experiments, the latter operates by reducing the delay between consecutive scans while preserving sensitivity. Given the complementarities between these two approaches it seems natural to combine them into a single tool, enabling the acquisition of full 2D protein NMR spectra at high repetition rates. We demonstrate here this capability with the introduction of “ultraSOFAST” HMQC NMR, a spatially encoded and relaxation-optimized approach that can provide 2D protein correlation spectra at ∼1 s repetition rates for samples in the ∼2 mM concentration range. The principles, relative advantages, and current limitations of this new approach are discussed, and its application is exemplified with a study of the fast hydrogen−deuterium exchange characterizing amide sites in Ubiquitin. article_processing_charge: No article_type: original author: - first_name: Maayan full_name: Gal, Maayan last_name: Gal - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 - first_name: Bernhard full_name: Brutscher, Bernhard last_name: Brutscher - first_name: Lucio full_name: Frydman, Lucio last_name: Frydman citation: ama: Gal M, Schanda P, Brutscher B, Frydman L. UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates. Journal of the American Chemical Society. 2007;129(5):1372-1377. doi:10.1021/ja066915g apa: Gal, M., Schanda, P., Brutscher, B., & Frydman, L. (2007). UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja066915g chicago: Gal, Maayan, Paul Schanda, Bernhard Brutscher, and Lucio Frydman. “UltraSOFAST HMQC NMR and the Repetitive Acquisition of 2D Protein Spectra at Hz Rates.” Journal of the American Chemical Society. American Chemical Society, 2007. https://doi.org/10.1021/ja066915g. ieee: M. Gal, P. Schanda, B. Brutscher, and L. Frydman, “UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates,” Journal of the American Chemical Society, vol. 129, no. 5. American Chemical Society, pp. 1372–1377, 2007. ista: Gal M, Schanda P, Brutscher B, Frydman L. 2007. UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates. Journal of the American Chemical Society. 129(5), 1372–1377. mla: Gal, Maayan, et al. “UltraSOFAST HMQC NMR and the Repetitive Acquisition of 2D Protein Spectra at Hz Rates.” Journal of the American Chemical Society, vol. 129, no. 5, American Chemical Society, 2007, pp. 1372–77, doi:10.1021/ja066915g. short: M. Gal, P. Schanda, B. Brutscher, L. Frydman, Journal of the American Chemical Society 129 (2007) 1372–1377. date_created: 2020-09-18T10:13:27Z date_published: 2007-01-10T00:00:00Z date_updated: 2021-01-12T08:19:37Z day: '10' doi: 10.1021/ja066915g extern: '1' intvolume: ' 129' issue: '5' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '01' oa_version: None page: 1372-1377 publication: Journal of the American Chemical Society publication_identifier: issn: - 0002-7863 - 1520-5126 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 129 year: '2007' ... --- _id: '8486' abstract: - lang: eng text: A technique is described that allows reducing acquisition times of multidimensional NMR experiments by extensive spectral folding. The method is simple and has many interesting applications for NMR studies of molecular structure, dynamics, and kinetics. article_processing_charge: No article_type: original author: - first_name: Ewen full_name: Lescop, Ewen last_name: Lescop - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 - first_name: Rodolfo full_name: Rasia, Rodolfo last_name: Rasia - first_name: Bernhard full_name: Brutscher, Bernhard last_name: Brutscher citation: ama: Lescop E, Schanda P, Rasia R, Brutscher B. Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy. Journal of the American Chemical Society. 2007;129(10):2756-2757. doi:10.1021/ja068949u apa: Lescop, E., Schanda, P., Rasia, R., & Brutscher, B. (2007). Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja068949u chicago: Lescop, Ewen, Paul Schanda, Rodolfo Rasia, and Bernhard Brutscher. “Automated Spectral Compression for Fast Multidimensional NMR and Increased Time Resolution in Real-Time NMR Spectroscopy.” Journal of the American Chemical Society. American Chemical Society, 2007. https://doi.org/10.1021/ja068949u. ieee: E. Lescop, P. Schanda, R. Rasia, and B. Brutscher, “Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy,” Journal of the American Chemical Society, vol. 129, no. 10. American Chemical Society, pp. 2756–2757, 2007. ista: Lescop E, Schanda P, Rasia R, Brutscher B. 2007. Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy. Journal of the American Chemical Society. 129(10), 2756–2757. mla: Lescop, Ewen, et al. “Automated Spectral Compression for Fast Multidimensional NMR and Increased Time Resolution in Real-Time NMR Spectroscopy.” Journal of the American Chemical Society, vol. 129, no. 10, American Chemical Society, 2007, pp. 2756–57, doi:10.1021/ja068949u. short: E. Lescop, P. Schanda, R. Rasia, B. Brutscher, Journal of the American Chemical Society 129 (2007) 2756–2757. date_created: 2020-09-18T10:13:21Z date_published: 2007-02-17T00:00:00Z date_updated: 2021-01-12T08:19:36Z day: '17' doi: 10.1021/ja068949u extern: '1' intvolume: ' 129' issue: '10' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '02' oa_version: None page: 2756-2757 publication: Journal of the American Chemical Society publication_identifier: issn: - 0002-7863 - 1520-5126 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 129 year: '2007' ... --- _id: '13424' abstract: - lang: eng text: 'Changing shapes: Metastable spherical aggregates of gold nanoparticles undergo a one-to-one, thermally induced transformation into heterodimers comprising connected plate and spherical domains. By controlling the reaction time, it is possible to isolate a variety of structures differing in the relative sizes of the domains and in the overall optical properties (see picture).' article_processing_charge: No article_type: original author: - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Anatoliy O. full_name: Pinchuk, Anatoliy O. last_name: Pinchuk - first_name: George C. full_name: Schatz, George C. last_name: Schatz - first_name: Bartosz A. full_name: Grzybowski, Bartosz A. last_name: Grzybowski citation: ama: Klajn R, Pinchuk AO, Schatz GC, Grzybowski BA. Synthesis of heterodimeric sphere–prism nanostructures via metastable gold supraspheres. Angewandte Chemie International Edition. 2007;46(44):8363-8367. doi:10.1002/anie.200702570 apa: Klajn, R., Pinchuk, A. O., Schatz, G. C., & Grzybowski, B. A. (2007). Synthesis of heterodimeric sphere–prism nanostructures via metastable gold supraspheres. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.200702570 chicago: Klajn, Rafal, Anatoliy O. Pinchuk, George C. Schatz, and Bartosz A. Grzybowski. “Synthesis of Heterodimeric Sphere–Prism Nanostructures via Metastable Gold Supraspheres.” Angewandte Chemie International Edition. Wiley, 2007. https://doi.org/10.1002/anie.200702570. ieee: R. Klajn, A. O. Pinchuk, G. C. Schatz, and B. A. Grzybowski, “Synthesis of heterodimeric sphere–prism nanostructures via metastable gold supraspheres,” Angewandte Chemie International Edition, vol. 46, no. 44. Wiley, pp. 8363–8367, 2007. ista: Klajn R, Pinchuk AO, Schatz GC, Grzybowski BA. 2007. Synthesis of heterodimeric sphere–prism nanostructures via metastable gold supraspheres. Angewandte Chemie International Edition. 46(44), 8363–8367. mla: Klajn, Rafal, et al. “Synthesis of Heterodimeric Sphere–Prism Nanostructures via Metastable Gold Supraspheres.” Angewandte Chemie International Edition, vol. 46, no. 44, Wiley, 2007, pp. 8363–67, doi:10.1002/anie.200702570. short: R. Klajn, A.O. Pinchuk, G.C. Schatz, B.A. Grzybowski, Angewandte Chemie International Edition 46 (2007) 8363–8367. date_created: 2023-08-01T10:31:08Z date_published: 2007-11-12T00:00:00Z date_updated: 2023-08-08T11:17:57Z day: '12' doi: 10.1002/anie.200702570 extern: '1' external_id: pmid: - '17902083' intvolume: ' 46' issue: '44' keyword: - General Chemistry - Catalysis language: - iso: eng month: '11' oa_version: None page: 8363-8367 pmid: 1 publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: Synthesis of heterodimeric sphere–prism nanostructures via metastable gold supraspheres type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 46 year: '2007' ... --- _id: '8488' abstract: - lang: eng text: We demonstrate for different protein samples that three-dimensional HNCO and HNCA correlation spectra may be recorded in a few minutes acquisition time using the band-selective excitation short-transient sequences presented here. This opens new perspectives for the NMR structural investigation of unstable protein samples and real-time site-resolved studies of protein kinetics. article_processing_charge: No article_type: original author: - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 - first_name: Hélène full_name: Van Melckebeke, Hélène last_name: Van Melckebeke - first_name: Bernhard full_name: Brutscher, Bernhard last_name: Brutscher citation: ama: Schanda P, Van Melckebeke H, Brutscher B. Speeding up three-dimensional protein NMR experiments to a few minutes. Journal of the American Chemical Society. 2006;128(28):9042-9043. doi:10.1021/ja062025p apa: Schanda, P., Van Melckebeke, H., & Brutscher, B. (2006). Speeding up three-dimensional protein NMR experiments to a few minutes. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja062025p chicago: Schanda, Paul, Hélène Van Melckebeke, and Bernhard Brutscher. “Speeding up Three-Dimensional Protein NMR Experiments to a Few Minutes.” Journal of the American Chemical Society. American Chemical Society, 2006. https://doi.org/10.1021/ja062025p. ieee: P. Schanda, H. Van Melckebeke, and B. Brutscher, “Speeding up three-dimensional protein NMR experiments to a few minutes,” Journal of the American Chemical Society, vol. 128, no. 28. American Chemical Society, pp. 9042–9043, 2006. ista: Schanda P, Van Melckebeke H, Brutscher B. 2006. Speeding up three-dimensional protein NMR experiments to a few minutes. Journal of the American Chemical Society. 128(28), 9042–9043. mla: Schanda, Paul, et al. “Speeding up Three-Dimensional Protein NMR Experiments to a Few Minutes.” Journal of the American Chemical Society, vol. 128, no. 28, American Chemical Society, 2006, pp. 9042–43, doi:10.1021/ja062025p. short: P. Schanda, H. Van Melckebeke, B. Brutscher, Journal of the American Chemical Society 128 (2006) 9042–9043. date_created: 2020-09-18T10:13:36Z date_published: 2006-06-21T00:00:00Z date_updated: 2021-01-12T08:19:37Z day: '21' doi: 10.1021/ja062025p extern: '1' intvolume: ' 128' issue: '28' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '06' oa_version: None page: 9042-9043 publication: Journal of the American Chemical Society publication_identifier: issn: - 0002-7863 - 1520-5126 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: Speeding up three-dimensional protein NMR experiments to a few minutes type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 128 year: '2006' ... --- _id: '13428' abstract: - lang: eng text: Mixtures of oppositely charged nanoparticles of various sizes and charge ratios precipitate only at the point of electroneutrality. This phenomenonspecific to the nanoscale and reminiscent of threshold precipitation of ionsis a consequence of the formation of core-and-shell nanoparticle aggregates, in which the shells are composed of like-charged particles and are stabilized by efficient electrostatic screening. article_processing_charge: No article_type: original author: - first_name: Alexander M. full_name: Kalsin, Alexander M. last_name: Kalsin - first_name: Bartlomiej full_name: Kowalczyk, Bartlomiej last_name: Kowalczyk - first_name: Stoyan K. full_name: Smoukov, Stoyan K. last_name: Smoukov - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Bartosz A. full_name: Grzybowski, Bartosz A. last_name: Grzybowski citation: ama: Kalsin AM, Kowalczyk B, Smoukov SK, Klajn R, Grzybowski BA. Ionic-like behavior of oppositely charged nanoparticles. Journal of the American Chemical Society. 2006;128(47):15046-15047. doi:10.1021/ja0642966 apa: Kalsin, A. M., Kowalczyk, B., Smoukov, S. K., Klajn, R., & Grzybowski, B. A. (2006). Ionic-like behavior of oppositely charged nanoparticles. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja0642966 chicago: Kalsin, Alexander M., Bartlomiej Kowalczyk, Stoyan K. Smoukov, Rafal Klajn, and Bartosz A. Grzybowski. “Ionic-like Behavior of Oppositely Charged Nanoparticles.” Journal of the American Chemical Society. American Chemical Society, 2006. https://doi.org/10.1021/ja0642966. ieee: A. M. Kalsin, B. Kowalczyk, S. K. Smoukov, R. Klajn, and B. A. Grzybowski, “Ionic-like behavior of oppositely charged nanoparticles,” Journal of the American Chemical Society, vol. 128, no. 47. American Chemical Society, pp. 15046–15047, 2006. ista: Kalsin AM, Kowalczyk B, Smoukov SK, Klajn R, Grzybowski BA. 2006. Ionic-like behavior of oppositely charged nanoparticles. Journal of the American Chemical Society. 128(47), 15046–15047. mla: Kalsin, Alexander M., et al. “Ionic-like Behavior of Oppositely Charged Nanoparticles.” Journal of the American Chemical Society, vol. 128, no. 47, American Chemical Society, 2006, pp. 15046–47, doi:10.1021/ja0642966. short: A.M. Kalsin, B. Kowalczyk, S.K. Smoukov, R. Klajn, B.A. Grzybowski, Journal of the American Chemical Society 128 (2006) 15046–15047. date_created: 2023-08-01T10:36:27Z date_published: 2006-11-29T00:00:00Z date_updated: 2023-08-08T11:30:06Z day: '29' doi: 10.1021/ja0642966 extern: '1' external_id: pmid: - '17117829' intvolume: ' 128' issue: '47' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '11' oa_version: None page: 15046-15047 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Ionic-like behavior of oppositely charged nanoparticles type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 128 year: '2006' ... --- _id: '13429' abstract: - lang: eng text: 'The fruitful core: Organic syntheses reported in the literature from 1850 to 2004 are analyzed with mathematical tools from network theory and statistical physics. There is a set of substances (the core) from which the majority of other organic compounds can be made (see picture; red: core, blue: periphery, green: islands). Search algorithms are used to identify small optimal sets of maximally useful chemicals.' article_processing_charge: No article_type: original author: - first_name: Kyle J. M. full_name: Bishop, Kyle J. M. last_name: Bishop - first_name: Rafal full_name: Klajn, Rafal id: 8e84690e-1e48-11ed-a02b-a1e6fb8bb53b last_name: Klajn - first_name: Bartosz A. full_name: Grzybowski, Bartosz A. last_name: Grzybowski citation: ama: Bishop KJM, Klajn R, Grzybowski BA. The core and most useful molecules in organic chemistry. Angewandte Chemie International Edition. 2006;45(32):5348-5354. doi:10.1002/anie.200600881 apa: Bishop, K. J. M., Klajn, R., & Grzybowski, B. A. (2006). The core and most useful molecules in organic chemistry. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.200600881 chicago: Bishop, Kyle J. M., Rafal Klajn, and Bartosz A. Grzybowski. “The Core and Most Useful Molecules in Organic Chemistry.” Angewandte Chemie International Edition. Wiley, 2006. https://doi.org/10.1002/anie.200600881. ieee: K. J. M. Bishop, R. Klajn, and B. A. Grzybowski, “The core and most useful molecules in organic chemistry,” Angewandte Chemie International Edition, vol. 45, no. 32. Wiley, pp. 5348–5354, 2006. ista: Bishop KJM, Klajn R, Grzybowski BA. 2006. The core and most useful molecules in organic chemistry. Angewandte Chemie International Edition. 45(32), 5348–5354. mla: Bishop, Kyle J. M., et al. “The Core and Most Useful Molecules in Organic Chemistry.” Angewandte Chemie International Edition, vol. 45, no. 32, Wiley, 2006, pp. 5348–54, doi:10.1002/anie.200600881. short: K.J.M. Bishop, R. Klajn, B.A. Grzybowski, Angewandte Chemie International Edition 45 (2006) 5348–5354. date_created: 2023-08-01T10:37:16Z date_published: 2006-08-11T00:00:00Z date_updated: 2023-08-08T11:31:27Z day: '11' doi: 10.1002/anie.200600881 extern: '1' external_id: pmid: - '16835857' intvolume: ' 45' issue: '32' keyword: - General Chemistry - Catalysis language: - iso: eng month: '08' oa_version: None page: 5348-5354 pmid: 1 publication: Angewandte Chemie International Edition publication_identifier: eissn: - 1521-3773 issn: - 1433-7851 publication_status: published publisher: Wiley quality_controlled: '1' scopus_import: '1' status: public title: The core and most useful molecules in organic chemistry type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 45 year: '2006' ... --- _id: '8492' abstract: - lang: eng text: We demonstrate for different protein samples that 2D 1H−15N correlation NMR spectra can be recorded in a few seconds of acquisition time using a new band-selective optimized flip-angle short-transient heteronuclear multiple quantum coherence experiment. This has enabled us to measure fast hydrogen−deuterium exchange rate constants along the backbone of a small globular protein fragment by real-time 2D NMR. article_processing_charge: No article_type: original author: - first_name: Paul full_name: Schanda, Paul id: 7B541462-FAF6-11E9-A490-E8DFE5697425 last_name: Schanda orcid: 0000-0002-9350-7606 - first_name: Bernhard full_name: Brutscher, Bernhard last_name: Brutscher citation: ama: Schanda P, Brutscher B. Very fast two-dimensional NMR spectroscopy for real-time investigation of dynamic events in proteins on the time scale of seconds. Journal of the American Chemical Society. 2005;127(22):8014-8015. doi:10.1021/ja051306e apa: Schanda, P., & Brutscher, B. (2005). Very fast two-dimensional NMR spectroscopy for real-time investigation of dynamic events in proteins on the time scale of seconds. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/ja051306e chicago: Schanda, Paul, and Bernhard Brutscher. “Very Fast Two-Dimensional NMR Spectroscopy for Real-Time Investigation of Dynamic Events in Proteins on the Time Scale of Seconds.” Journal of the American Chemical Society. American Chemical Society, 2005. https://doi.org/10.1021/ja051306e. ieee: P. Schanda and B. Brutscher, “Very fast two-dimensional NMR spectroscopy for real-time investigation of dynamic events in proteins on the time scale of seconds,” Journal of the American Chemical Society, vol. 127, no. 22. American Chemical Society, pp. 8014–8015, 2005. ista: Schanda P, Brutscher B. 2005. Very fast two-dimensional NMR spectroscopy for real-time investigation of dynamic events in proteins on the time scale of seconds. Journal of the American Chemical Society. 127(22), 8014–8015. mla: Schanda, Paul, and Bernhard Brutscher. “Very Fast Two-Dimensional NMR Spectroscopy for Real-Time Investigation of Dynamic Events in Proteins on the Time Scale of Seconds.” Journal of the American Chemical Society, vol. 127, no. 22, American Chemical Society, 2005, pp. 8014–15, doi:10.1021/ja051306e. short: P. Schanda, B. Brutscher, Journal of the American Chemical Society 127 (2005) 8014–8015. date_created: 2020-09-18T10:14:05Z date_published: 2005-05-14T00:00:00Z date_updated: 2021-01-12T08:19:39Z day: '14' doi: 10.1021/ja051306e extern: '1' intvolume: ' 127' issue: '22' keyword: - Colloid and Surface Chemistry - Biochemistry - General Chemistry - Catalysis language: - iso: eng month: '05' oa_version: None page: 8014-8015 publication: Journal of the American Chemical Society publication_identifier: issn: - 0002-7863 - 1520-5126 publication_status: published publisher: American Chemical Society quality_controlled: '1' status: public title: Very fast two-dimensional NMR spectroscopy for real-time investigation of dynamic events in proteins on the time scale of seconds type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 127 year: '2005' ...