[{"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2023-05-23T16:30:20Z","oa":1,"author":[{"full_name":"Arnoux, Stephanie","first_name":"Stephanie","last_name":"Arnoux"},{"full_name":"Fraisse, Christelle","orcid":"0000-0001-8441-5075","first_name":"Christelle","id":"32DF5794-F248-11E8-B48F-1D18A9856A87","last_name":"Fraisse"},{"full_name":"Sauvage, Christopher","first_name":"Christopher","last_name":"Sauvage"}],"article_processing_charge":"No","date_published":"2020-10-19T00:00:00Z","citation":{"short":"S. Arnoux, C. Fraisse, C. Sauvage, (2020).","chicago":"Arnoux, Stephanie, Christelle Fraisse, and Christopher Sauvage. “VCF Files of Synonymous SNPs Related to: Genomic Inference of Complex Domestication Histories in Three Solanaceae Species.” Dryad, 2020. https://doi.org/10.5061/DRYAD.Q2BVQ83HD.","ista":"Arnoux S, Fraisse C, Sauvage C. 2020. VCF files of synonymous SNPs related to: Genomic inference of complex domestication histories in three Solanaceae species, Dryad, 10.5061/DRYAD.Q2BVQ83HD.","ama":"Arnoux S, Fraisse C, Sauvage C. VCF files of synonymous SNPs related to: Genomic inference of complex domestication histories in three Solanaceae species. 2020. doi:10.5061/DRYAD.Q2BVQ83HD","apa":"Arnoux, S., Fraisse, C., & Sauvage, C. (2020). VCF files of synonymous SNPs related to: Genomic inference of complex domestication histories in three Solanaceae species. Dryad. https://doi.org/10.5061/DRYAD.Q2BVQ83HD","ieee":"S. Arnoux, C. Fraisse, and C. Sauvage, “VCF files of synonymous SNPs related to: Genomic inference of complex domestication histories in three Solanaceae species.” Dryad, 2020.","mla":"Arnoux, Stephanie, et al. VCF Files of Synonymous SNPs Related to: Genomic Inference of Complex Domestication Histories in Three Solanaceae Species. Dryad, 2020, doi:10.5061/DRYAD.Q2BVQ83HD."},"status":"public","ddc":["570"],"month":"10","year":"2020","publisher":"Dryad","type":"research_data_reference","doi":"10.5061/DRYAD.Q2BVQ83HD","tmp":{"short":"CC0 (1.0)","image":"/images/cc_0.png","legal_code_url":"https://creativecommons.org/publicdomain/zero/1.0/legalcode","name":"Creative Commons Public Domain Dedication (CC0 1.0)"},"oa_version":"Published Version","abstract":[{"lang":"eng","text":"Domestication is a human-induced selection process that imprints the genomes of domesticated populations over a short evolutionary time scale, and that occurs in a given demographic context. Reconstructing historical gene flow, effective population size changes and their timing is therefore of fundamental interest to understand how plant demography and human selection jointly shape genomic divergence during domestication. Yet, the comparison under a single statistical framework of independent domestication histories across different crop species has been little evaluated so far. Thus, it is unclear whether domestication leads to convergent demographic changes that similarly affect crop genomes. To address this question, we used existing and new transcriptome data on three crop species of Solanaceae (eggplant, pepper and tomato), together with their close wild relatives. We fitted twelve demographic models of increasing complexity on the unfolded joint allele frequency spectrum for each wild/crop pair, and we found evidence for both shared and species-specific demographic processes between species. A convergent history of domestication with gene-flow was inferred for all three species, along with evidence of strong reduction in the effective population size during the cultivation stage of tomato and pepper. The absence of any reduction in size of the crop in eggplant stands out from the classical view of the domestication process; as does the existence of a “protracted period” of management before cultivation. Our results also suggest divergent management strategies of modern cultivars among species as their current demography substantially differs. Finally, the timing of domestication is species-specific and supported by the few historical records available."}],"_id":"13065","title":"VCF files of synonymous SNPs related to: Genomic inference of complex domestication histories in three Solanaceae species","main_file_link":[{"open_access":"1","url":"https://doi.org/10.5061/dryad.q2bvq83hd"}],"department":[{"_id":"NiBa"}],"day":"19","related_material":{"link":[{"url":"https://github.com/starnoux/arnoux_et_al_2019","relation":"software"}],"record":[{"status":"public","id":"8928","relation":"used_in_publication"}]},"date_updated":"2026-06-18T19:37:16Z"},{"year":"2020","month":"09","ddc":["530"],"type":"research_data_reference","publisher":"Zenodo","oa":1,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2023-05-23T16:42:30Z","status":"public","citation":{"ieee":"M. Peruzzo, A. Trioni, F. Hassani, M. Zemlicka, and J. M. Fink, “Surpassing the resistance quantum with a geometric superinductor.” Zenodo, 2020.","mla":"Peruzzo, Matilda, et al. Surpassing the Resistance Quantum with a Geometric Superinductor. Zenodo, 2020, doi:10.5281/ZENODO.4052882.","short":"M. Peruzzo, A. Trioni, F. Hassani, M. Zemlicka, J.M. Fink, (2020).","ama":"Peruzzo M, Trioni A, Hassani F, Zemlicka M, Fink JM. Surpassing the resistance quantum with a geometric superinductor. 2020. doi:10.5281/ZENODO.4052882","apa":"Peruzzo, M., Trioni, A., Hassani, F., Zemlicka, M., & Fink, J. M. (2020). Surpassing the resistance quantum with a geometric superinductor. Zenodo. https://doi.org/10.5281/ZENODO.4052882","chicago":"Peruzzo, Matilda, Andrea Trioni, Farid Hassani, Martin Zemlicka, and Johannes M Fink. “Surpassing the Resistance Quantum with a Geometric Superinductor.” Zenodo, 2020. https://doi.org/10.5281/ZENODO.4052882.","ista":"Peruzzo M, Trioni A, Hassani F, Zemlicka M, Fink JM. 2020. Surpassing the resistance quantum with a geometric superinductor, Zenodo, 10.5281/ZENODO.4052882."},"article_processing_charge":"No","date_published":"2020-09-27T00:00:00Z","author":[{"orcid":"0000-0002-3415-4628","full_name":"Peruzzo, Matilda","last_name":"Peruzzo","first_name":"Matilda","id":"3F920B30-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Trioni, Andrea","last_name":"Trioni","id":"42F71B44-F248-11E8-B48F-1D18A9856A87","first_name":"Andrea"},{"full_name":"Hassani, Farid","orcid":"0000-0001-6937-5773","first_name":"Farid","id":"2AED110C-F248-11E8-B48F-1D18A9856A87","last_name":"Hassani"},{"orcid":"0009-0005-0878-3032","full_name":"Zemlicka, Martin","last_name":"Zemlicka","first_name":"Martin","id":"2DCF8DE6-F248-11E8-B48F-1D18A9856A87"},{"first_name":"Johannes M","id":"4B591CBA-F248-11E8-B48F-1D18A9856A87","last_name":"Fink","full_name":"Fink, Johannes M","orcid":"0000-0001-8112-028X"}],"department":[{"_id":"JoFi"}],"main_file_link":[{"url":"https://doi.org/10.5281/zenodo.4052883","open_access":"1"}],"date_updated":"2026-04-15T06:43:02Z","related_material":{"record":[{"relation":"used_in_publication","id":"8755","status":"public"}]},"day":"27","doi":"10.5281/ZENODO.4052882","tmp":{"short":"CC BY (4.0)","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)"},"corr_author":"1","_id":"13070","title":"Surpassing the resistance quantum with a geometric superinductor","oa_version":"Published Version","abstract":[{"text":"This dataset comprises all data shown in the figures of the submitted article \"Surpassing the resistance quantum with a geometric superinductor\". Additional raw data are available from the corresponding author on reasonable request.","lang":"eng"}]},{"related_material":{"record":[{"relation":"used_in_publication","id":"9114","status":"public"}]},"date_updated":"2026-04-15T06:43:26Z","day":"10","main_file_link":[{"url":"https://doi.org/10.5281/zenodo.4266026","open_access":"1"}],"department":[{"_id":"JoFi"}],"_id":"13071","corr_author":"1","title":"Bidirectional electro-optic wavelength conversion in the quantum ground state","abstract":[{"lang":"eng","text":"This dataset comprises all data shown in the plots of the main part of the submitted article \"Bidirectional Electro-Optic Wavelength Conversion in the Quantum Ground State\". Additional raw data are available from the corresponding author on reasonable request."}],"oa_version":"Published Version","tmp":{"short":"CC BY (4.0)","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)"},"doi":"10.5281/ZENODO.4266025","publisher":"Zenodo","type":"research_data_reference","month":"11","year":"2020","ddc":["530"],"citation":{"ieee":"W. J. Hease et al., “Bidirectional electro-optic wavelength conversion in the quantum ground state.” Zenodo, 2020.","mla":"Hease, William J., et al. Bidirectional Electro-Optic Wavelength Conversion in the Quantum Ground State. Zenodo, 2020, doi:10.5281/ZENODO.4266025.","short":"W.J. Hease, A.R. Rueda Sanchez, R. Sahu, M. Wulf, G.M. Arnold, H. Schwefel, J.M. Fink, (2020).","ista":"Hease WJ, Rueda Sanchez AR, Sahu R, Wulf M, Arnold GM, Schwefel H, Fink JM. 2020. Bidirectional electro-optic wavelength conversion in the quantum ground state, Zenodo, 10.5281/ZENODO.4266025.","chicago":"Hease, William J, Alfredo R Rueda Sanchez, Rishabh Sahu, Matthias Wulf, Georg M Arnold, Harald Schwefel, and Johannes M Fink. “Bidirectional Electro-Optic Wavelength Conversion in the Quantum Ground State.” Zenodo, 2020. https://doi.org/10.5281/ZENODO.4266025.","apa":"Hease, W. J., Rueda Sanchez, A. R., Sahu, R., Wulf, M., Arnold, G. M., Schwefel, H., & Fink, J. M. (2020). Bidirectional electro-optic wavelength conversion in the quantum ground state. Zenodo. https://doi.org/10.5281/ZENODO.4266025","ama":"Hease WJ, Rueda Sanchez AR, Sahu R, et al. Bidirectional electro-optic wavelength conversion in the quantum ground state. 2020. doi:10.5281/ZENODO.4266025"},"article_processing_charge":"No","date_published":"2020-11-10T00:00:00Z","status":"public","author":[{"first_name":"William J","id":"29705398-F248-11E8-B48F-1D18A9856A87","last_name":"Hease","full_name":"Hease, William J","orcid":"0000-0001-9868-2166"},{"full_name":"Rueda Sanchez, Alfredo R","orcid":"0000-0001-6249-5860","first_name":"Alfredo R","id":"3B82B0F8-F248-11E8-B48F-1D18A9856A87","last_name":"Rueda Sanchez"},{"full_name":"Sahu, Rishabh","orcid":"0000-0001-6264-2162","first_name":"Rishabh","id":"47D26E34-F248-11E8-B48F-1D18A9856A87","last_name":"Sahu"},{"first_name":"Matthias","id":"45598606-F248-11E8-B48F-1D18A9856A87","last_name":"Wulf","full_name":"Wulf, Matthias","orcid":"0000-0001-6613-1378"},{"last_name":"Arnold","first_name":"Georg M","id":"3770C838-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0003-1397-7876","full_name":"Arnold, Georg M"},{"last_name":"Schwefel","first_name":"Harald","full_name":"Schwefel, Harald"},{"orcid":"0000-0001-8112-028X","full_name":"Fink, Johannes M","last_name":"Fink","first_name":"Johannes M","id":"4B591CBA-F248-11E8-B48F-1D18A9856A87"}],"date_created":"2023-05-23T16:44:11Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa":1},{"author":[{"first_name":"Alexis","last_name":"Simon","full_name":"Simon, Alexis"},{"id":"32DF5794-F248-11E8-B48F-1D18A9856A87","first_name":"Christelle","last_name":"Fraisse","full_name":"Fraisse, Christelle","orcid":"0000-0001-8441-5075"},{"last_name":"El Ayari","first_name":"Tahani","full_name":"El Ayari, Tahani"},{"first_name":"Cathy","last_name":"Liautard-Haag","full_name":"Liautard-Haag, Cathy"},{"first_name":"Petr","last_name":"Strelkov","full_name":"Strelkov, Petr"},{"full_name":"Welch, John","first_name":"John","last_name":"Welch"},{"first_name":"Nicolas","last_name":"Bierne","full_name":"Bierne, Nicolas"}],"citation":{"mla":"Simon, Alexis, et al. How Do Species Barriers Decay? Concordance and Local Introgression in Mosaic Hybrid Zones of Mussels. Dryad, 2020, doi:10.5061/DRYAD.R4XGXD29N.","ieee":"A. Simon et al., “How do species barriers decay? concordance and local introgression in mosaic hybrid zones of mussels.” Dryad, 2020.","short":"A. Simon, C. Fraisse, T. El Ayari, C. Liautard-Haag, P. Strelkov, J. Welch, N. Bierne, (2020).","ista":"Simon A, Fraisse C, El Ayari T, Liautard-Haag C, Strelkov P, Welch J, Bierne N. 2020. How do species barriers decay? concordance and local introgression in mosaic hybrid zones of mussels, Dryad, 10.5061/DRYAD.R4XGXD29N.","chicago":"Simon, Alexis, Christelle Fraisse, Tahani El Ayari, Cathy Liautard-Haag, Petr Strelkov, John Welch, and Nicolas Bierne. “How Do Species Barriers Decay? Concordance and Local Introgression in Mosaic Hybrid Zones of Mussels.” Dryad, 2020. https://doi.org/10.5061/DRYAD.R4XGXD29N.","ama":"Simon A, Fraisse C, El Ayari T, et al. How do species barriers decay? concordance and local introgression in mosaic hybrid zones of mussels. 2020. doi:10.5061/DRYAD.R4XGXD29N","apa":"Simon, A., Fraisse, C., El Ayari, T., Liautard-Haag, C., Strelkov, P., Welch, J., & Bierne, N. (2020). How do species barriers decay? concordance and local introgression in mosaic hybrid zones of mussels. Dryad. https://doi.org/10.5061/DRYAD.R4XGXD29N"},"article_processing_charge":"No","date_published":"2020-09-22T00:00:00Z","status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2023-05-23T16:48:27Z","oa":1,"publisher":"Dryad","type":"research_data_reference","ddc":["570"],"month":"09","year":"2020","oa_version":"Published Version","abstract":[{"text":"The Mytilus complex of marine mussel species forms a mosaic of hybrid zones, found across temperate regions of the globe. This allows us to study \"replicated\" instances of secondary contact between closely-related species. Previous work on this complex has shown that local introgression is both widespread and highly heterogeneous, and has identified SNPs that are outliers of differentiation between lineages. Here, we developed an ancestry-informative panel of such SNPs. We then compared their frequencies in newly-sampled populations, including samples from within the hybrid zones, and parental populations at different distances from the contact. Results show that close to the hybrid zones, some outlier loci are near to fixation for the heterospecific allele, suggesting enhanced local introgression, or the local sweep of a shared ancestral allele. Conversely, genomic cline analyses, treating local parental populations as the reference, reveal a globally high concordance among loci, albeit with a few signals of asymmetric introgression. Enhanced local introgression at specific loci is consistent with the early transfer of adaptive variants after contact, possibly including asymmetric bi-stable variants (Dobzhansky-Muller incompatibilities), or haplotypes loaded with fewer deleterious mutations. Having escaped one barrier, however, these variants can be trapped or delayed at the next barrier, confining the introgression locally. These results shed light on the decay of species barriers during phases of contact.","lang":"eng"}],"title":"How do species barriers decay? concordance and local introgression in mosaic hybrid zones of mussels","_id":"13073","doi":"10.5061/DRYAD.R4XGXD29N","tmp":{"short":"CC0 (1.0)","image":"/images/cc_0.png","legal_code_url":"https://creativecommons.org/publicdomain/zero/1.0/legalcode","name":"Creative Commons Public Domain Dedication (CC0 1.0)"},"day":"22","related_material":{"record":[{"status":"public","relation":"used_in_publication","id":"8708"}]},"date_updated":"2025-07-10T12:01:22Z","main_file_link":[{"open_access":"1","url":"https://doi.org/10.5061/dryad.r4xgxd29n"}],"department":[{"_id":"NiBa"}]},{"_id":"13341","oa_version":"Preprint","doi":"10.1039/C9NR08578E","date_updated":"2023-08-02T09:35:52Z","extern":"1","external_id":{"arxiv":["2001.03342"]},"status":"public","date_published":"2020-01-10T00:00:00Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2023-08-01T08:27:12Z","article_type":"original","type":"journal_article","publisher":"Royal Society of Chemistry","year":"2020","issue":"5","publication_status":"published","title":"SQUID-on-tip with single-electron spin sensitivity for high-field and ultra-low temperature nanomagnetic imaging","publication":"Nanoscale","abstract":[{"text":"Scanning nanoscale superconducting quantum interference devices (nanoSQUIDs)\r\nare of growing interest for highly sensitive quantitative imaging of magnetic,\r\nspintronic, and transport properties of low-dimensional systems. Utilizing\r\nspecifically designed grooved quartz capillaries pulled into a sharp pipette,\r\nwe have fabricated the smallest SQUID-on-tip (SOT) devices with effective\r\ndiameters down to 39 nm. Integration of a resistive shunt in close proximity to\r\nthe pipette apex combined with self-aligned deposition of In and Sn, have\r\nresulted in SOT with a flux noise of 42 n$\\Phi_0$Hz$^{-1/2}$, yielding a record\r\nlow spin noise of 0.29 $\\mu_B$Hz$^{-1/2}$. In addition, the new SOTs function\r\nat sub-Kelvin temperatures and in high magnetic fields of over 2.5 T.\r\nIntegrating the SOTs into a scanning probe microscope allowed us to image the\r\nstray field of a single Fe$_3$O$_4$ nanocube at 300 mK. Our results show that\r\nthe easy magnetization axis direction undergoes a transition from the (111)\r\ndirection at room temperature to an in-plane orientation, which could be\r\nattributed to the Verwey phase transition in Fe$_3$O$_4$.","lang":"eng"}],"intvolume":" 12","quality_controlled":"1","day":"10","main_file_link":[{"url":"https://doi.org/10.48550/arXiv.2001.03342","open_access":"1"}],"page":"3174-3182","citation":{"mla":"Anahory, Y., et al. “SQUID-on-Tip with Single-Electron Spin Sensitivity for High-Field and Ultra-Low Temperature Nanomagnetic Imaging.” Nanoscale, vol. 12, no. 5, Royal Society of Chemistry, 2020, pp. 3174–82, doi:10.1039/C9NR08578E.","ieee":"Y. Anahory et al., “SQUID-on-tip with single-electron spin sensitivity for high-field and ultra-low temperature nanomagnetic imaging,” Nanoscale, vol. 12, no. 5. Royal Society of Chemistry, pp. 3174–3182, 2020.","ista":"Anahory Y, Naren HR, Lachman EO, Sinai SB, Uri A, Embon L, Yaakobi E, Myasoedov Y, Huber ME, Klajn R, Zeldov E. 2020. SQUID-on-tip with single-electron spin sensitivity for high-field and ultra-low temperature nanomagnetic imaging. Nanoscale. 12(5), 3174–3182.","chicago":"Anahory, Y., H. R. Naren, E. O. Lachman, S. Buhbut Sinai, A. Uri, L. Embon, E. Yaakobi, et al. “SQUID-on-Tip with Single-Electron Spin Sensitivity for High-Field and Ultra-Low Temperature Nanomagnetic Imaging.” Nanoscale. Royal Society of Chemistry, 2020. https://doi.org/10.1039/C9NR08578E.","apa":"Anahory, Y., Naren, H. R., Lachman, E. O., Sinai, S. B., Uri, A., Embon, L., … Zeldov, E. (2020). SQUID-on-tip with single-electron spin sensitivity for high-field and ultra-low temperature nanomagnetic imaging. Nanoscale. Royal Society of Chemistry. https://doi.org/10.1039/C9NR08578E","ama":"Anahory Y, Naren HR, Lachman EO, et al. SQUID-on-tip with single-electron spin sensitivity for high-field and ultra-low temperature nanomagnetic imaging. Nanoscale. 2020;12(5):3174-3182. doi:10.1039/C9NR08578E","short":"Y. Anahory, H.R. Naren, E.O. Lachman, S.B. Sinai, A. Uri, L. Embon, E. Yaakobi, Y. Myasoedov, M.E. Huber, R. Klajn, E. Zeldov, Nanoscale 12 (2020) 3174–3182."},"article_processing_charge":"No","author":[{"full_name":"Anahory, Y.","last_name":"Anahory","first_name":"Y."},{"first_name":"H. R.","last_name":"Naren","full_name":"Naren, H. R."},{"full_name":"Lachman, E. O.","first_name":"E. O.","last_name":"Lachman"},{"last_name":"Sinai","first_name":"S. Buhbut","full_name":"Sinai, S. Buhbut"},{"last_name":"Uri","first_name":"A.","full_name":"Uri, A."},{"first_name":"L.","last_name":"Embon","full_name":"Embon, L."},{"last_name":"Yaakobi","first_name":"E.","full_name":"Yaakobi, E."},{"last_name":"Myasoedov","first_name":"Y.","full_name":"Myasoedov, Y."},{"full_name":"Huber, M. E.","first_name":"M. E.","last_name":"Huber"},{"full_name":"Klajn, Rafal","last_name":"Klajn","first_name":"Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b"},{"full_name":"Zeldov, E.","last_name":"Zeldov","first_name":"E."}],"language":[{"iso":"eng"}],"arxiv":1,"oa":1,"publication_identifier":{"eissn":["2040-3372"]},"volume":12,"scopus_import":"1","month":"01"},{"day":"10","quality_controlled":"1","main_file_link":[{"url":"https://doi.org/10.1002/chem.202004064","open_access":"1"}],"publication":"Chemistry – A European Journal","OA_place":"publisher","abstract":[{"text":"Helically folded aromatic oligoamide foldamers have a size and geometrical parameters very distinct from those of α‐helices and are not obvious candidates for α‐helix mimicry. Nevertheless, they offer multiple sites for attaching side chains. It was found that some arrays of side chains at the surface of an aromatic helix make it possible to mimic extended α‐helical surfaces. Synthetic methods were developed to produce quinoline monomers suitably functionalized for solid phase synthesis. A dodecamer was prepared. Its crystal structure validated the initial design and showed helix bundling involving the α‐helix‐like interface. These results open up new uses of aromatic helices to recognize protein surfaces and to program helix bundling in water.","lang":"eng"}],"intvolume":" 26","has_accepted_license":"1","title":"Aromatic foldamer helices as α‐helix extended surface mimetics","publication_status":"published","OA_type":"hybrid","publication_identifier":{"eissn":["1521-3765"],"issn":["0947-6539"]},"volume":26,"month":"09","author":[{"first_name":"Márton","last_name":"Zwillinger","full_name":"Zwillinger, Márton"},{"first_name":"Post Sai","last_name":"Reddy","full_name":"Reddy, Post Sai"},{"full_name":"Wicher, Barbara","first_name":"Barbara","last_name":"Wicher"},{"id":"6a3def15-d4b4-11ef-9fa9-a24c1f545ec3","first_name":"Pradeep K","last_name":"Mandal","full_name":"Mandal, Pradeep K","orcid":"0000-0001-5996-956X"},{"full_name":"Csékei, Márton","last_name":"Csékei","first_name":"Márton"},{"full_name":"Fischer, Lucile","first_name":"Lucile","last_name":"Fischer"},{"full_name":"Kotschy, András","first_name":"András","last_name":"Kotschy"},{"first_name":"Ivan","last_name":"Huc","full_name":"Huc, Ivan"}],"language":[{"iso":"eng"}],"page":"17366-17370","citation":{"ama":"Zwillinger M, Reddy PS, Wicher B, et al. Aromatic foldamer helices as α‐helix extended surface mimetics. Chemistry – A European Journal. 2020;26(72):17366-17370. doi:10.1002/chem.202004064","apa":"Zwillinger, M., Reddy, P. S., Wicher, B., Mandal, P. K., Csékei, M., Fischer, L., … Huc, I. (2020). Aromatic foldamer helices as α‐helix extended surface mimetics. Chemistry – A European Journal. Wiley. https://doi.org/10.1002/chem.202004064","ista":"Zwillinger M, Reddy PS, Wicher B, Mandal PK, Csékei M, Fischer L, Kotschy A, Huc I. 2020. Aromatic foldamer helices as α‐helix extended surface mimetics. Chemistry – A European Journal. 26(72), 17366–17370.","chicago":"Zwillinger, Márton, Post Sai Reddy, Barbara Wicher, Pradeep K Mandal, Márton Csékei, Lucile Fischer, András Kotschy, and Ivan Huc. “Aromatic Foldamer Helices as Α‐helix Extended Surface Mimetics.” Chemistry – A European Journal. Wiley, 2020. https://doi.org/10.1002/chem.202004064.","short":"M. Zwillinger, P.S. Reddy, B. Wicher, P.K. Mandal, M. Csékei, L. Fischer, A. Kotschy, I. Huc, Chemistry – A European Journal 26 (2020) 17366–17370.","mla":"Zwillinger, Márton, et al. “Aromatic Foldamer Helices as Α‐helix Extended Surface Mimetics.” Chemistry – A European Journal, vol. 26, no. 72, Wiley, 2020, pp. 17366–70, doi:10.1002/chem.202004064.","ieee":"M. Zwillinger et al., “Aromatic foldamer helices as α‐helix extended surface mimetics,” Chemistry – A European Journal, vol. 26, no. 72. Wiley, pp. 17366–17370, 2020."},"article_processing_charge":"No","oa":1,"date_updated":"2026-02-20T06:53:53Z","extern":"1","oa_version":"Published Version","_id":"21083","doi":"10.1002/chem.202004064","tmp":{"name":"Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc/4.0/legalcode","image":"/images/cc_by_nc.png","short":"CC BY-NC (4.0)"},"type":"journal_article","article_type":"original","publisher":"Wiley","ddc":["540"],"issue":"72","year":"2020","status":"public","date_published":"2020-09-10T00:00:00Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2026-01-29T15:31:13Z"},{"publication_identifier":{"eissn":["1755-4349"],"issn":["1755-4330"]},"month":"11","volume":12,"language":[{"iso":"eng"}],"author":[{"last_name":"Pappas","first_name":"Charalampos G.","full_name":"Pappas, Charalampos G."},{"id":"6a3def15-d4b4-11ef-9fa9-a24c1f545ec3","first_name":"Pradeep K","last_name":"Mandal","full_name":"Mandal, Pradeep K","orcid":"0000-0001-5996-956X"},{"first_name":"Bin","last_name":"Liu","full_name":"Liu, Bin"},{"last_name":"Kauffmann","first_name":"Brice","full_name":"Kauffmann, Brice"},{"full_name":"Miao, Xiaoming","last_name":"Miao","first_name":"Xiaoming"},{"full_name":"Komáromy, Dávid","last_name":"Komáromy","first_name":"Dávid"},{"first_name":"Waldemar","last_name":"Hoffmann","full_name":"Hoffmann, Waldemar"},{"last_name":"Manz","first_name":"Christian","full_name":"Manz, Christian"},{"last_name":"Chang","first_name":"Rayoon","full_name":"Chang, Rayoon"},{"first_name":"Kai","last_name":"Liu","full_name":"Liu, Kai"},{"full_name":"Pagel, Kevin","first_name":"Kevin","last_name":"Pagel"},{"full_name":"Huc, Ivan","last_name":"Huc","first_name":"Ivan"},{"full_name":"Otto, Sijbren","last_name":"Otto","first_name":"Sijbren"}],"citation":{"short":"C.G. Pappas, P.K. Mandal, B. Liu, B. Kauffmann, X. Miao, D. Komáromy, W. Hoffmann, C. Manz, R. Chang, K. Liu, K. Pagel, I. Huc, S. Otto, Nature Chemistry 12 (2020) 1180–1186.","apa":"Pappas, C. G., Mandal, P. K., Liu, B., Kauffmann, B., Miao, X., Komáromy, D., … Otto, S. (2020). Emergence of low-symmetry foldamers from single monomers. Nature Chemistry. Springer Nature. https://doi.org/10.1038/s41557-020-00565-2","ama":"Pappas CG, Mandal PK, Liu B, et al. Emergence of low-symmetry foldamers from single monomers. Nature Chemistry. 2020;12(12):1180-1186. doi:10.1038/s41557-020-00565-2","chicago":"Pappas, Charalampos G., Pradeep K Mandal, Bin Liu, Brice Kauffmann, Xiaoming Miao, Dávid Komáromy, Waldemar Hoffmann, et al. “Emergence of Low-Symmetry Foldamers from Single Monomers.” Nature Chemistry. Springer Nature, 2020. https://doi.org/10.1038/s41557-020-00565-2.","ista":"Pappas CG, Mandal PK, Liu B, Kauffmann B, Miao X, Komáromy D, Hoffmann W, Manz C, Chang R, Liu K, Pagel K, Huc I, Otto S. 2020. Emergence of low-symmetry foldamers from single monomers. Nature Chemistry. 12(12), 1180–1186.","mla":"Pappas, Charalampos G., et al. “Emergence of Low-Symmetry Foldamers from Single Monomers.” Nature Chemistry, vol. 12, no. 12, Springer Nature, 2020, pp. 1180–86, doi:10.1038/s41557-020-00565-2.","ieee":"C. G. Pappas et al., “Emergence of low-symmetry foldamers from single monomers,” Nature Chemistry, vol. 12, no. 12. Springer Nature, pp. 1180–1186, 2020."},"article_processing_charge":"No","page":"1180-1186","oa":1,"day":"20","quality_controlled":"1","main_file_link":[{"url":"https://doi.org/10.26434/chemrxiv.10079186","open_access":"1"}],"abstract":[{"lang":"eng","text":"Self-assembly is a powerful method to obtain large discrete functional molecular architectures. When using a single building block, self-assembly generally yields symmetrical objects in which all the subunits relate similarly to their neighbours. Here we report the discovery of a family of self-constructing cyclic macromolecules with stable folded conformations of low symmetry, which include some with a prime number (13, 17 and 23) of units, despite being formed from a single component. The formation of these objects amounts to the production of polymers with a perfectly uniform length. Design rules for the spontaneous emergence of such macromolecules include endowing monomers with a strong potential for non-covalent interactions that remain frustrated in competing entropically favoured yet conformationally restrained smaller cycles. The process can also be templated by a guest molecule that itself has an asymmetrical structure, which paves the way to molecular imprinting techniques at the level of single polymer chains."}],"intvolume":" 12","publication":"Nature Chemistry","OA_place":"repository","publication_status":"published","title":"Emergence of low-symmetry foldamers from single monomers","has_accepted_license":"1","OA_type":"green","publisher":"Springer Nature","article_type":"original","type":"journal_article","pmid":1,"issue":"12","year":"2020","date_published":"2020-11-20T00:00:00Z","status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2026-01-29T15:32:38Z","external_id":{"pmid":["33219361 "]},"extern":"1","date_updated":"2026-02-23T11:46:11Z","oa_version":"Preprint","_id":"21084","doi":"10.1038/s41557-020-00565-2"},{"volume":85,"scopus_import":"1","month":"07","publication_identifier":{"eissn":["2192-6506"]},"oa":1,"author":[{"first_name":"Xiaobo","last_name":"Hu","full_name":"Hu, Xiaobo"},{"full_name":"Mandal, Pradeep K","orcid":"0000-0001-5996-956X","id":"6a3def15-d4b4-11ef-9fa9-a24c1f545ec3","first_name":"Pradeep K","last_name":"Mandal"},{"first_name":"Brice","last_name":"Kauffmann","full_name":"Kauffmann, Brice"},{"full_name":"Huc, Ivan","last_name":"Huc","first_name":"Ivan"}],"language":[{"iso":"eng"}],"page":"1580-1586","citation":{"apa":"Hu, X., Mandal, P. K., Kauffmann, B., & Huc, I. (2020). Hybrid sequences that express both aromatic amide and α‐peptidic folding features. ChemPlusChem. Wiley. https://doi.org/10.1002/cplu.202000416","ama":"Hu X, Mandal PK, Kauffmann B, Huc I. Hybrid sequences that express both aromatic amide and α‐peptidic folding features. ChemPlusChem. 2020;85(7):1580-1586. doi:10.1002/cplu.202000416","ista":"Hu X, Mandal PK, Kauffmann B, Huc I. 2020. Hybrid sequences that express both aromatic amide and α‐peptidic folding features. ChemPlusChem. 85(7), 1580–1586.","chicago":"Hu, Xiaobo, Pradeep K Mandal, Brice Kauffmann, and Ivan Huc. “Hybrid Sequences That Express Both Aromatic Amide and Α‐peptidic Folding Features.” ChemPlusChem. Wiley, 2020. https://doi.org/10.1002/cplu.202000416.","short":"X. Hu, P.K. Mandal, B. Kauffmann, I. Huc, ChemPlusChem 85 (2020) 1580–1586.","mla":"Hu, Xiaobo, et al. “Hybrid Sequences That Express Both Aromatic Amide and Α‐peptidic Folding Features.” ChemPlusChem, vol. 85, no. 7, Wiley, 2020, pp. 1580–86, doi:10.1002/cplu.202000416.","ieee":"X. Hu, P. K. Mandal, B. Kauffmann, and I. Huc, “Hybrid sequences that express both aromatic amide and α‐peptidic folding features,” ChemPlusChem, vol. 85, no. 7. Wiley, pp. 1580–1586, 2020."},"article_processing_charge":"No","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1002/cplu.202000416"}],"day":"06","quality_controlled":"1","OA_type":"hybrid","publication":"ChemPlusChem","OA_place":"publisher","abstract":[{"text":"Foldamers combining aliphatic and aromatic main-chain units often produce atypical structures that cannot easily be accessed from purely aromatic or aliphatic sequences. We report solid-state evidence that sequences comprising α-amino acids and quinoline-based monomers adopt conformations that combine the folding propensities of both components. Foldamers 2 and 3 having an XQQ repeat motif (X=α-amino acid, Q=quinoline) were synthesized. Crystals of 2 (X=Phe, Q with an anionic side chain) obtained from water revealed an aromatic helix where amide groups belonging to the α-amino acids created a hydrogen-bond array typical of peptidic helices. Crystals of 3 (X=Ser, Q with a lipophilic side chain) obtained from organic solvents revealed a helix-turn-helix structure in which α-amino acid side chains interfere with main-chain hydrogen bonding. High sequence-dependency of the conformation is typical of peptides but is shown here to include aromatic folding features.","lang":"eng"}],"intvolume":" 85","has_accepted_license":"1","publication_status":"published","title":"Hybrid sequences that express both aromatic amide and α‐peptidic folding features","issue":"7","pmid":1,"year":"2020","article_type":"original","type":"journal_article","publisher":"Wiley","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2026-01-29T15:34:50Z","status":"public","date_published":"2020-07-06T00:00:00Z","external_id":{"pmid":["32729681"]},"date_updated":"2026-02-20T06:51:31Z","extern":"1","tmp":{"name":"Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc/4.0/legalcode","image":"/images/cc_by_nc.png","short":"CC BY-NC (4.0)"},"doi":"10.1002/cplu.202000416","oa_version":"Published Version","_id":"21085"},{"arxiv":1,"oa":1,"page":"1096-1103","article_processing_charge":"No","citation":{"ieee":"S. Fisher, C. Roques-Carmes, N. Rivera, L. J. Wong, I. Kaminer, and M. Soljačić, “Monochromatic X-ray source based on scattering from a magnetic nanoundulator,” ACS Photonics, vol. 7, no. 5. American Chemical Society , pp. 1096–1103, 2020.","mla":"Fisher, Sophie, et al. “Monochromatic X-Ray Source Based on Scattering from a Magnetic Nanoundulator.” ACS Photonics, vol. 7, no. 5, American Chemical Society , 2020, pp. 1096–103, doi:10.1021/acsphotonics.0c00121.","short":"S. Fisher, C. Roques-Carmes, N. Rivera, L.J. Wong, I. Kaminer, M. Soljačić, ACS Photonics 7 (2020) 1096–1103.","ista":"Fisher S, Roques-Carmes C, Rivera N, Wong LJ, Kaminer I, Soljačić M. 2020. Monochromatic X-ray source based on scattering from a magnetic nanoundulator. ACS Photonics. 7(5), 1096–1103.","chicago":"Fisher, Sophie, Charles Roques-Carmes, Nicholas Rivera, Liang Jie Wong, Ido Kaminer, and Marin Soljačić. “Monochromatic X-Ray Source Based on Scattering from a Magnetic Nanoundulator.” ACS Photonics. American Chemical Society , 2020. https://doi.org/10.1021/acsphotonics.0c00121.","ama":"Fisher S, Roques-Carmes C, Rivera N, Wong LJ, Kaminer I, Soljačić M. Monochromatic X-ray source based on scattering from a magnetic nanoundulator. ACS Photonics. 2020;7(5):1096-1103. doi:10.1021/acsphotonics.0c00121","apa":"Fisher, S., Roques-Carmes, C., Rivera, N., Wong, L. J., Kaminer, I., & Soljačić, M. (2020). Monochromatic X-ray source based on scattering from a magnetic nanoundulator. ACS Photonics. American Chemical Society . https://doi.org/10.1021/acsphotonics.0c00121"},"author":[{"first_name":"Sophie","last_name":"Fisher","full_name":"Fisher, Sophie"},{"last_name":"Roques-Carmes","first_name":"Charles","id":"e2e68fc9-6505-11ef-a541-eb4e72cc3e82","full_name":"Roques-Carmes, Charles"},{"last_name":"Rivera","first_name":"Nicholas","full_name":"Rivera, Nicholas"},{"full_name":"Wong, Liang Jie","last_name":"Wong","first_name":"Liang Jie"},{"full_name":"Kaminer, Ido","first_name":"Ido","last_name":"Kaminer"},{"last_name":"Soljačić","first_name":"Marin","full_name":"Soljačić, Marin"}],"language":[{"iso":"eng"}],"volume":7,"month":"04","scopus_import":"1","publication_identifier":{"eissn":["2330-4022"]},"OA_type":"hybrid","has_accepted_license":"1","title":"Monochromatic X-ray source based on scattering from a magnetic nanoundulator","publication_status":"published","publication":"ACS Photonics","OA_place":"publisher","abstract":[{"lang":"eng","text":"We present a novel design for an ultracompact, passive light source capable of generating ultraviolet and X-ray radiation, based on the interaction of free electrons with the magnetic near-field of a ferromagnet. Our design is motivated by recent advances in the fabrication of nanostructures, which allow the confinement of large magnetic fields at the surface of ferromagnetic nanogratings. Using ab initio simulations and a complementary analytical theory, we show that highly directional, tunable, monochromatic radiation at high frequencies could be produced from relatively low-energy electrons within a tabletop design. The output frequency is tunable in the extreme ultraviolet to hard X-ray range via electron kinetic energies from 1 keV to 5 MeV and nanograting periods from 1 μm to 5 nm. The proposed radiation source can achieve the tunability and monochromaticity of current free-electron-driven sources (free-electron lasers, synchrotrons, and laser-driven undulators), yet with a significantly reduced scale, cost, and complexity. Our design could help realize the next generation of tabletop or on-chip X-ray sources."}],"intvolume":" 7","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1021/acsphotonics.0c00121"}],"quality_controlled":"1","day":"01","keyword":["X-ray sources","free electrons","nanostructure","undulator","synchrotron","free-electron laser"],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2026-03-30T12:22:47Z","status":"public","date_published":"2020-04-01T00:00:00Z","year":"2020","ddc":["530"],"pmid":1,"issue":"5","type":"journal_article","article_type":"letter_note","publisher":"American Chemical Society ","tmp":{"short":"CC BY (4.0)","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)"},"doi":"10.1021/acsphotonics.0c00121","_id":"21525","oa_version":"Published Version","date_updated":"2026-04-15T11:51:29Z","extern":"1","external_id":{"arxiv":["1910.09629"],"pmid":[" 32596415"]}},{"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1038/s41467-019-14096-z"}],"quality_controlled":"1","day":"14","OA_type":"gold","has_accepted_license":"1","publication_status":"published","title":"Heuristic recurrent algorithms for photonic Ising machines","publication":"Nature Communications","OA_place":"publisher","intvolume":" 11","abstract":[{"text":"The inability of conventional electronic architectures to efficiently solve large combinatorial problems motivates the development of novel computational hardware. There has been much effort toward developing application-specific hardware across many different fields of engineering, such as integrated circuits, memristors, and photonics. However, unleashing the potential of such architectures requires the development of algorithms which optimally exploit their fundamental properties. Here, we present the Photonic Recurrent Ising Sampler (PRIS), a heuristic method tailored for parallel architectures allowing fast and efficient sampling from distributions of arbitrary Ising problems. Since the PRIS relies on vector-to-fixed matrix multiplications, we suggest the implementation of the PRIS in photonic parallel networks, which realize these operations at an unprecedented speed. The PRIS provides sample solutions to the ground state of Ising models, by converging in probability to their associated Gibbs distribution. The PRIS also relies on intrinsic dynamic noise and eigenvalue dropout to find ground states more efficiently. Our work suggests speedups in heuristic methods via photonic implementations of the PRIS.","lang":"eng"}],"volume":11,"scopus_import":"1","month":"01","publication_identifier":{"eissn":["2041-1723"]},"arxiv":1,"oa":1,"article_processing_charge":"Yes","citation":{"apa":"Roques-Carmes, C., Shen, Y., Zanoci, C., Prabhu, M., Atieh, F., Jing, L., … Soljačić, M. (2020). Heuristic recurrent algorithms for photonic Ising machines. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-019-14096-z","ama":"Roques-Carmes C, Shen Y, Zanoci C, et al. Heuristic recurrent algorithms for photonic Ising machines. Nature Communications. 2020;11. doi:10.1038/s41467-019-14096-z","chicago":"Roques-Carmes, Charles, Yichen Shen, Cristian Zanoci, Mihika Prabhu, Fadi Atieh, Li Jing, Tena Dubček, et al. “Heuristic Recurrent Algorithms for Photonic Ising Machines.” Nature Communications. Springer Nature, 2020. https://doi.org/10.1038/s41467-019-14096-z.","ista":"Roques-Carmes C, Shen Y, Zanoci C, Prabhu M, Atieh F, Jing L, Dubček T, Mao C, Johnson MR, Čeperić V, Joannopoulos JD, Englund D, Soljačić M. 2020. Heuristic recurrent algorithms for photonic Ising machines. Nature Communications. 11, 249.","short":"C. Roques-Carmes, Y. Shen, C. Zanoci, M. Prabhu, F. Atieh, L. Jing, T. Dubček, C. Mao, M.R. Johnson, V. Čeperić, J.D. Joannopoulos, D. Englund, M. Soljačić, Nature Communications 11 (2020).","ieee":"C. Roques-Carmes et al., “Heuristic recurrent algorithms for photonic Ising machines,” Nature Communications, vol. 11. Springer Nature, 2020.","mla":"Roques-Carmes, Charles, et al. “Heuristic Recurrent Algorithms for Photonic Ising Machines.” Nature Communications, vol. 11, 249, Springer Nature, 2020, doi:10.1038/s41467-019-14096-z."},"author":[{"full_name":"Roques-Carmes, Charles","id":"e2e68fc9-6505-11ef-a541-eb4e72cc3e82","first_name":"Charles","last_name":"Roques-Carmes"},{"full_name":"Shen, Yichen","first_name":"Yichen","last_name":"Shen"},{"full_name":"Zanoci, Cristian","first_name":"Cristian","last_name":"Zanoci"},{"first_name":"Mihika","last_name":"Prabhu","full_name":"Prabhu, Mihika"},{"full_name":"Atieh, Fadi","last_name":"Atieh","first_name":"Fadi"},{"last_name":"Jing","first_name":"Li","full_name":"Jing, Li"},{"full_name":"Dubček, Tena","last_name":"Dubček","first_name":"Tena"},{"first_name":"Chenkai","last_name":"Mao","full_name":"Mao, Chenkai"},{"first_name":"Miles R.","last_name":"Johnson","full_name":"Johnson, Miles R."},{"last_name":"Čeperić","first_name":"Vladimir","full_name":"Čeperić, Vladimir"},{"first_name":"John D.","last_name":"Joannopoulos","full_name":"Joannopoulos, John D."},{"last_name":"Englund","first_name":"Dirk","full_name":"Englund, Dirk"},{"full_name":"Soljačić, Marin","last_name":"Soljačić","first_name":"Marin"}],"language":[{"iso":"eng"}],"date_updated":"2026-04-15T06:15:50Z","extern":"1","external_id":{"arxiv":["1811.02705"]},"doi":"10.1038/s41467-019-14096-z","tmp":{"short":"CC BY (4.0)","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)"},"PlanS_conform":"1","article_number":"249","_id":"21539","DOAJ_listed":"1","oa_version":"Published Version","year":"2020","ddc":["530"],"type":"journal_article","article_type":"original","publisher":"Springer Nature","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2026-03-30T12:22:47Z","status":"public","date_published":"2020-01-14T00:00:00Z"},{"main_file_link":[{"url":"https://doi.org/10.1088/1361-6528/aba70f","open_access":"1"}],"day":"19","quality_controlled":"1","OA_type":"hybrid","OA_place":"publisher","publication":"Nanotechnology","intvolume":" 32","abstract":[{"text":"Recent progress in artificial intelligence is largely attributed to the rapid development of machine learning, especially in the algorithm and neural network models. However, it is the performance of the hardware, in particular the energy efficiency of a computing system that sets the fundamental limit of the capability of machine learning. Data-centric computing requires a revolution in hardware systems, since traditional digital computers based on transistors and the von Neumann architecture were not purposely designed for neuromorphic computing. A hardware platform based on emerging devices and new architecture is the hope for future computing with dramatically improved throughput and energy efficiency. Building such a system, nevertheless, faces a number of challenges, ranging from materials selection, device optimization, circuit fabrication and system integration, to name a few. The aim of this Roadmap is to present a snapshot of emerging hardware technologies that are potentially beneficial for machine learning, providing the Nanotechnology readers with a perspective of challenges and opportunities in this burgeoning field.","lang":"eng"}],"publication_status":"published","title":"Roadmap on emerging hardware and technology for machine learning","volume":32,"month":"10","scopus_import":"1","publication_identifier":{"issn":["0957-4484"],"eissn":["1361-6528"]},"oa":1,"author":[{"full_name":"Berggren, Karl","last_name":"Berggren","first_name":"Karl"},{"full_name":"Xia, Qiangfei","last_name":"Xia","first_name":"Qiangfei"},{"last_name":"Likharev","first_name":"Konstantin K","full_name":"Likharev, Konstantin K"},{"first_name":"Dmitri B","last_name":"Strukov","full_name":"Strukov, Dmitri B"},{"last_name":"Jiang","first_name":"Hao","full_name":"Jiang, Hao"},{"last_name":"Mikolajick","first_name":"Thomas","full_name":"Mikolajick, Thomas"},{"first_name":"Damien","last_name":"Querlioz","full_name":"Querlioz, Damien"},{"last_name":"Salinga","first_name":"Martin","full_name":"Salinga, Martin"},{"last_name":"Erickson","first_name":"John R","full_name":"Erickson, John R"},{"full_name":"Pi, Shuang","first_name":"Shuang","last_name":"Pi"},{"full_name":"Xiong, Feng","last_name":"Xiong","first_name":"Feng"},{"last_name":"Lin","first_name":"Peng","full_name":"Lin, Peng"},{"first_name":"Can","last_name":"Li","full_name":"Li, Can"},{"full_name":"Chen, Yu","last_name":"Chen","first_name":"Yu"},{"full_name":"Xiong, Shisheng","last_name":"Xiong","first_name":"Shisheng"},{"first_name":"Brian D","last_name":"Hoskins","full_name":"Hoskins, Brian D"},{"last_name":"Daniels","first_name":"Matthew W","full_name":"Daniels, Matthew W"},{"full_name":"Madhavan, Advait","first_name":"Advait","last_name":"Madhavan"},{"full_name":"Liddle, James A","first_name":"James A","last_name":"Liddle"},{"last_name":"McClelland","first_name":"Jabez J","full_name":"McClelland, Jabez J"},{"last_name":"Yang","first_name":"Yuchao","full_name":"Yang, Yuchao"},{"first_name":"Jennifer","last_name":"Rupp","full_name":"Rupp, Jennifer"},{"last_name":"Nonnenmann","first_name":"Stephen S","full_name":"Nonnenmann, Stephen S"},{"full_name":"Cheng, Kwang-Ting","first_name":"Kwang-Ting","last_name":"Cheng"},{"first_name":"Nanbo","last_name":"Gong","full_name":"Gong, Nanbo"},{"first_name":"Miguel Angel","last_name":"Lastras-Montaño","full_name":"Lastras-Montaño, Miguel Angel"},{"first_name":"A Alec","last_name":"Talin","full_name":"Talin, A Alec"},{"last_name":"Salleo","first_name":"Alberto","full_name":"Salleo, Alberto"},{"full_name":"Shastri, Bhavin J","first_name":"Bhavin J","last_name":"Shastri"},{"last_name":"de Lima","first_name":"Thomas Ferreira","full_name":"de Lima, Thomas Ferreira"},{"last_name":"Prucnal","first_name":"Paul","full_name":"Prucnal, Paul"},{"full_name":"Tait, Alexander N","last_name":"Tait","first_name":"Alexander N"},{"full_name":"Shen, Yichen","first_name":"Yichen","last_name":"Shen"},{"full_name":"Meng, Huaiyu","first_name":"Huaiyu","last_name":"Meng"},{"full_name":"Roques-Carmes, Charles","first_name":"Charles","id":"e2e68fc9-6505-11ef-a541-eb4e72cc3e82","last_name":"Roques-Carmes"},{"full_name":"Cheng, Zengguang","last_name":"Cheng","first_name":"Zengguang"},{"first_name":"Harish","last_name":"Bhaskaran","full_name":"Bhaskaran, Harish"},{"first_name":"Deep","last_name":"Jariwala","full_name":"Jariwala, Deep"},{"last_name":"Wang","first_name":"Han","full_name":"Wang, Han"},{"first_name":"Jeffrey M","last_name":"Shainline","full_name":"Shainline, Jeffrey M"},{"first_name":"Kenneth","last_name":"Segall","full_name":"Segall, Kenneth"},{"first_name":"J Joshua","last_name":"Yang","full_name":"Yang, J Joshua"},{"first_name":"Kaushik","last_name":"Roy","full_name":"Roy, Kaushik"},{"full_name":"Datta, Suman","first_name":"Suman","last_name":"Datta"},{"last_name":"Raychowdhury","first_name":"Arijit","full_name":"Raychowdhury, Arijit"}],"language":[{"iso":"eng"}],"article_processing_charge":"No","citation":{"mla":"Berggren, Karl, et al. “Roadmap on Emerging Hardware and Technology for Machine Learning.” Nanotechnology, vol. 32, no. 1, 012002, IOP Publishing, 2020, doi:10.1088/1361-6528/aba70f.","ieee":"K. Berggren et al., “Roadmap on emerging hardware and technology for machine learning,” Nanotechnology, vol. 32, no. 1. IOP Publishing, 2020.","ista":"Berggren K, Xia Q, Likharev KK, Strukov DB, Jiang H, Mikolajick T, Querlioz D, Salinga M, Erickson JR, Pi S, Xiong F, Lin P, Li C, Chen Y, Xiong S, Hoskins BD, Daniels MW, Madhavan A, Liddle JA, McClelland JJ, Yang Y, Rupp J, Nonnenmann SS, Cheng K-T, Gong N, Lastras-Montaño MA, Talin AA, Salleo A, Shastri BJ, de Lima TF, Prucnal P, Tait AN, Shen Y, Meng H, Roques-Carmes C, Cheng Z, Bhaskaran H, Jariwala D, Wang H, Shainline JM, Segall K, Yang JJ, Roy K, Datta S, Raychowdhury A. 2020. Roadmap on emerging hardware and technology for machine learning. Nanotechnology. 32(1), 012002.","chicago":"Berggren, Karl, Qiangfei Xia, Konstantin K Likharev, Dmitri B Strukov, Hao Jiang, Thomas Mikolajick, Damien Querlioz, et al. “Roadmap on Emerging Hardware and Technology for Machine Learning.” Nanotechnology. IOP Publishing, 2020. https://doi.org/10.1088/1361-6528/aba70f.","ama":"Berggren K, Xia Q, Likharev KK, et al. Roadmap on emerging hardware and technology for machine learning. Nanotechnology. 2020;32(1). doi:10.1088/1361-6528/aba70f","apa":"Berggren, K., Xia, Q., Likharev, K. K., Strukov, D. B., Jiang, H., Mikolajick, T., … Raychowdhury, A. (2020). Roadmap on emerging hardware and technology for machine learning. Nanotechnology. IOP Publishing. https://doi.org/10.1088/1361-6528/aba70f","short":"K. Berggren, Q. Xia, K.K. Likharev, D.B. Strukov, H. Jiang, T. Mikolajick, D. Querlioz, M. Salinga, J.R. Erickson, S. Pi, F. Xiong, P. Lin, C. Li, Y. Chen, S. Xiong, B.D. Hoskins, M.W. Daniels, A. Madhavan, J.A. Liddle, J.J. McClelland, Y. Yang, J. Rupp, S.S. Nonnenmann, K.-T. Cheng, N. Gong, M.A. Lastras-Montaño, A.A. Talin, A. Salleo, B.J. Shastri, T.F. de Lima, P. Prucnal, A.N. Tait, Y. Shen, H. Meng, C. Roques-Carmes, Z. Cheng, H. Bhaskaran, D. Jariwala, H. Wang, J.M. Shainline, K. Segall, J.J. Yang, K. Roy, S. Datta, A. Raychowdhury, Nanotechnology 32 (2020)."},"external_id":{"pmid":["32679577"]},"date_updated":"2026-04-15T06:55:27Z","extern":"1","tmp":{"short":"CC BY (4.0)","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)"},"doi":"10.1088/1361-6528/aba70f","oa_version":"Published Version","article_number":"012002","_id":"21554","ddc":["530"],"pmid":1,"issue":"1","year":"2020","article_type":"original","type":"journal_article","publisher":"IOP Publishing","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2026-03-30T12:22:47Z","status":"public","date_published":"2020-10-19T00:00:00Z"},{"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2026-03-30T12:22:48Z","date_published":"2020-06-01T00:00:00Z","citation":{"short":"N. Rivera, C. Roques-Carmes, I. Kaminer, M. Soljačić, in:, Conference on Lasers and Electro-Optics, Optica Publishing Group, 2020.","ista":"Rivera N, Roques-Carmes C, Kaminer I, Soljačić M. 2020. Toward nanophotonic free-electron lasers. Conference on Lasers and Electro-Optics. CLEO: Fundamental Science, FM2Q.3.","chicago":"Rivera, Nicholas, Charles Roques-Carmes, Ido Kaminer, and Marin Soljačić. “Toward Nanophotonic Free-Electron Lasers.” In Conference on Lasers and Electro-Optics. Optica Publishing Group, 2020. https://doi.org/10.1364/cleo_qels.2020.fm2q.3.","apa":"Rivera, N., Roques-Carmes, C., Kaminer, I., & Soljačić, M. (2020). Toward nanophotonic free-electron lasers. In Conference on Lasers and Electro-Optics. Washington, DC, United States: Optica Publishing Group. https://doi.org/10.1364/cleo_qels.2020.fm2q.3","ama":"Rivera N, Roques-Carmes C, Kaminer I, Soljačić M. Toward nanophotonic free-electron lasers. In: Conference on Lasers and Electro-Optics. Optica Publishing Group; 2020. doi:10.1364/cleo_qels.2020.fm2q.3","ieee":"N. Rivera, C. Roques-Carmes, I. Kaminer, and M. Soljačić, “Toward nanophotonic free-electron lasers,” in Conference on Lasers and Electro-Optics, Washington, DC, United States, 2020.","mla":"Rivera, Nicholas, et al. “Toward Nanophotonic Free-Electron Lasers.” Conference on Lasers and Electro-Optics, FM2Q.3, Optica Publishing Group, 2020, doi:10.1364/cleo_qels.2020.fm2q.3."},"article_processing_charge":"No","status":"public","language":[{"iso":"eng"}],"author":[{"first_name":"Nicholas","last_name":"Rivera","full_name":"Rivera, Nicholas"},{"full_name":"Roques-Carmes, Charles","last_name":"Roques-Carmes","id":"e2e68fc9-6505-11ef-a541-eb4e72cc3e82","first_name":"Charles"},{"full_name":"Kaminer, Ido","last_name":"Kaminer","first_name":"Ido"},{"first_name":"Marin","last_name":"Soljačić","full_name":"Soljačić, Marin"}],"scopus_import":"1","month":"06","conference":{"end_date":"2020-05-15","location":"Washington, DC, United States","start_date":"2020-05-10","name":"CLEO: Fundamental Science"},"year":"2020","publisher":"Optica Publishing Group","type":"conference","publication_identifier":{"eisbn":["9781943580767"],"issnl":["2162-2701"]},"OA_type":"closed access","doi":"10.1364/cleo_qels.2020.fm2q.3","publication_status":"published","_id":"21621","article_number":"FM2Q.3","title":"Toward nanophotonic free-electron lasers","abstract":[{"lang":"eng","text":"We show that nanophotonic structures enable the possibility of realizing lasers based on stimulated emission by free electrons. The associated threshold beam currents are in the nanoampere range, and could be realized in electron microscopes."}],"oa_version":"None","publication":"Conference on Lasers and Electro-Optics","extern":"1","quality_controlled":"1","date_updated":"2026-05-05T06:49:40Z","day":"01"},{"_id":"21637","oa_version":"Published Version","DOAJ_listed":"1","doi":"10.1364/oe.403192","tmp":{"short":"CC BY (4.0)","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)"},"extern":"1","date_updated":"2026-04-27T07:08:18Z","external_id":{"arxiv":["2007.11661"],"pmid":["33182865"]},"date_published":"2020-10-26T00:00:00Z","status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2026-03-30T12:22:48Z","publisher":"Optica Publishing Group","type":"journal_article","article_type":"original","year":"2020","issue":"23","pmid":1,"ddc":["530"],"publication_status":"published","title":"Fullwave Maxwell inverse design of axisymmetric, tunable, and multi-scale multi-wavelength metalenses","intvolume":" 28","abstract":[{"lang":"eng","text":"We demonstrate new axisymmetric inverse-design techniques that can solve problems radically different from traditional lenses, including reconfigurable lenses (that shift a multi-frequency focal spot in response to refractive-index changes) and widely separated multi-wavelength lenses (λ = 1 µm and 10 µm). We also present experimental validation for an axisymmetric inverse-designed monochrome lens in the near-infrared fabricated via two-photon polymerization. Axisymmetry allows fullwave Maxwell solvers to be scaled up to structures hundreds or even thousands of wavelengths in diameter before requiring domain-decomposition approximations, while multilayer topology optimization with ∼105 degrees of freedom can tackle challenging design problems even when restricted to axisymmetric structures."}],"publication":"Optics Express","OA_place":"publisher","OA_type":"gold","quality_controlled":"1","day":"26","main_file_link":[{"url":"https://doi.org/10.1364/OE.403192","open_access":"1"}],"article_processing_charge":"No","citation":{"mla":"Christiansen, Rasmus E., et al. “Fullwave Maxwell Inverse Design of Axisymmetric, Tunable, and Multi-Scale Multi-Wavelength Metalenses.” Optics Express, vol. 28, no. 23, Optica Publishing Group, 2020, pp. 33854–68, doi:10.1364/oe.403192.","ieee":"R. E. Christiansen et al., “Fullwave Maxwell inverse design of axisymmetric, tunable, and multi-scale multi-wavelength metalenses,” Optics Express, vol. 28, no. 23. Optica Publishing Group, pp. 33854–33868, 2020.","short":"R.E. Christiansen, Z. Lin, C. Roques-Carmes, Y. Salamin, S.E. Kooi, J.D. Joannopoulos, M. Soljačić, S.G. Johnson, Optics Express 28 (2020) 33854–33868.","ama":"Christiansen RE, Lin Z, Roques-Carmes C, et al. Fullwave Maxwell inverse design of axisymmetric, tunable, and multi-scale multi-wavelength metalenses. Optics Express. 2020;28(23):33854-33868. doi:10.1364/oe.403192","apa":"Christiansen, R. E., Lin, Z., Roques-Carmes, C., Salamin, Y., Kooi, S. E., Joannopoulos, J. D., … Johnson, S. G. (2020). Fullwave Maxwell inverse design of axisymmetric, tunable, and multi-scale multi-wavelength metalenses. Optics Express. Optica Publishing Group. https://doi.org/10.1364/oe.403192","chicago":"Christiansen, Rasmus E., Zin Lin, Charles Roques-Carmes, Yannick Salamin, Steven E. Kooi, John D. Joannopoulos, Marin Soljačić, and Steven G. Johnson. “Fullwave Maxwell Inverse Design of Axisymmetric, Tunable, and Multi-Scale Multi-Wavelength Metalenses.” Optics Express. Optica Publishing Group, 2020. https://doi.org/10.1364/oe.403192.","ista":"Christiansen RE, Lin Z, Roques-Carmes C, Salamin Y, Kooi SE, Joannopoulos JD, Soljačić M, Johnson SG. 2020. Fullwave Maxwell inverse design of axisymmetric, tunable, and multi-scale multi-wavelength metalenses. Optics Express. 28(23), 33854–33868."},"page":"33854-33868","language":[{"iso":"eng"}],"author":[{"full_name":"Christiansen, Rasmus E.","first_name":"Rasmus E.","last_name":"Christiansen"},{"first_name":"Zin","last_name":"Lin","full_name":"Lin, Zin"},{"full_name":"Roques-Carmes, Charles","first_name":"Charles","id":"e2e68fc9-6505-11ef-a541-eb4e72cc3e82","last_name":"Roques-Carmes"},{"first_name":"Yannick","last_name":"Salamin","full_name":"Salamin, Yannick"},{"full_name":"Kooi, Steven E.","first_name":"Steven E.","last_name":"Kooi"},{"full_name":"Joannopoulos, John D.","first_name":"John D.","last_name":"Joannopoulos"},{"last_name":"Soljačić","first_name":"Marin","full_name":"Soljačić, Marin"},{"last_name":"Johnson","first_name":"Steven G.","full_name":"Johnson, Steven G."}],"arxiv":1,"oa":1,"publication_identifier":{"issn":["1094-4087"]},"month":"10","scopus_import":"1","volume":28},{"ddc":["530"],"issue":"5","year":"2020","type":"journal_article","article_type":"original","publisher":"Optica Publishing Group","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2026-03-30T12:22:48Z","status":"public","date_published":"2020-05-18T00:00:00Z","date_updated":"2026-04-27T07:06:04Z","extern":"1","tmp":{"short":"CC BY (4.0)","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)"},"doi":"10.1364/optica.386613","DOAJ_listed":"1","oa_version":"Published Version","_id":"21640","volume":7,"scopus_import":"1","month":"05","publication_identifier":{"eissn":["2334-2536"]},"oa":1,"author":[{"first_name":"Mihika","last_name":"Prabhu","full_name":"Prabhu, Mihika"},{"full_name":"Roques-Carmes, Charles","first_name":"Charles","id":"e2e68fc9-6505-11ef-a541-eb4e72cc3e82","last_name":"Roques-Carmes"},{"full_name":"Shen, Yichen","first_name":"Yichen","last_name":"Shen"},{"first_name":"Nicholas","last_name":"Harris","full_name":"Harris, Nicholas"},{"last_name":"Jing","first_name":"Li","full_name":"Jing, Li"},{"last_name":"Carolan","first_name":"Jacques","full_name":"Carolan, Jacques"},{"first_name":"Ryan","last_name":"Hamerly","full_name":"Hamerly, Ryan"},{"full_name":"Baehr-Jones, Tom","first_name":"Tom","last_name":"Baehr-Jones"},{"first_name":"Michael","last_name":"Hochberg","full_name":"Hochberg, Michael"},{"last_name":"Čeperić","first_name":"Vladimir","full_name":"Čeperić, Vladimir"},{"first_name":"John D.","last_name":"Joannopoulos","full_name":"Joannopoulos, John D."},{"first_name":"Dirk R.","last_name":"Englund","full_name":"Englund, Dirk R."},{"full_name":"Soljačić, Marin","first_name":"Marin","last_name":"Soljačić"}],"language":[{"iso":"eng"}],"page":"551-558","citation":{"mla":"Prabhu, Mihika, et al. “Accelerating Recurrent Ising Machines in Photonic Integrated Circuits.” Optica, vol. 7, no. 5, Optica Publishing Group, 2020, pp. 551–58, doi:10.1364/optica.386613.","ieee":"M. Prabhu et al., “Accelerating recurrent Ising machines in photonic integrated circuits,” Optica, vol. 7, no. 5. Optica Publishing Group, pp. 551–558, 2020.","ama":"Prabhu M, Roques-Carmes C, Shen Y, et al. Accelerating recurrent Ising machines in photonic integrated circuits. Optica. 2020;7(5):551-558. doi:10.1364/optica.386613","apa":"Prabhu, M., Roques-Carmes, C., Shen, Y., Harris, N., Jing, L., Carolan, J., … Soljačić, M. (2020). Accelerating recurrent Ising machines in photonic integrated circuits. Optica. Optica Publishing Group. https://doi.org/10.1364/optica.386613","chicago":"Prabhu, Mihika, Charles Roques-Carmes, Yichen Shen, Nicholas Harris, Li Jing, Jacques Carolan, Ryan Hamerly, et al. “Accelerating Recurrent Ising Machines in Photonic Integrated Circuits.” Optica. Optica Publishing Group, 2020. https://doi.org/10.1364/optica.386613.","ista":"Prabhu M, Roques-Carmes C, Shen Y, Harris N, Jing L, Carolan J, Hamerly R, Baehr-Jones T, Hochberg M, Čeperić V, Joannopoulos JD, Englund DR, Soljačić M. 2020. Accelerating recurrent Ising machines in photonic integrated circuits. Optica. 7(5), 551–558.","short":"M. Prabhu, C. Roques-Carmes, Y. Shen, N. Harris, L. Jing, J. Carolan, R. Hamerly, T. Baehr-Jones, M. Hochberg, V. Čeperić, J.D. Joannopoulos, D.R. Englund, M. Soljačić, Optica 7 (2020) 551–558."},"article_processing_charge":"No","main_file_link":[{"url":"https://doi.org/10.1364/OPTICA.386613","open_access":"1"}],"day":"18","quality_controlled":"1","OA_type":"gold","OA_place":"publisher","publication":"Optica","abstract":[{"lang":"eng","text":"Conventional computing architectures have no known efficient algorithms for combinatorial optimization tasks such\r\nas the Ising problem, which requires finding the ground state spin configuration of an arbitrary Ising graph. Physical\r\nIsing machines have recently been developed as an alternative to conventional exact and heuristic solvers; however,\r\nthese machines typically suffer from decreased ground state convergence probability or universality for high edge-\r\ndensity graphs or arbitrary graph weights, respectively. We experimentally demonstrate a proof-of-principle integrated\r\nnanophotonic recurrent Ising sampler (INPRIS), using a hybrid scheme combining electronics and silicon-on-insulator\r\nphotonics, that is capable of converging to the ground state of various four-spin graphs with high probability. The\r\nINPRIS results indicate that noise may be used as a resource to speed up the ground state search and to explore larger\r\nregions of the phase space, thus allowing one to probe noise-dependent physical observables. Since the recurrent pho-\r\ntonic transformation that our machine imparts is a fixed function of the graph problem and therefore compatible with\r\noptoelectronic architectures that support GHz clock rates (such as passive or non-volatile photonic circuits that do not\r\nrequire reprogramming at each iteration), this work suggests the potential for future systems that could achieve orders-\r\nof-magnitude speedups in exploring the solution space of combinatorially hard problems. "}],"intvolume":" 7","publication_status":"published","title":"Accelerating recurrent Ising machines in photonic integrated circuits"},{"abstract":[{"lang":"eng","text":"By codesigning a metaoptical front end in conjunction with an image‐processing back end, we demonstrate noise sensitivity and compactness substantially superior to either an optics‐only or a computation‐only approach, illustrated by two examples: subwavelength imaging and reconstruction of the full polarization coherence matrices of multiple light sources. Our end‐to‐end inverse designs couple the solution of the full Maxwell equations—exploiting all aspects of wave physics arising in subwavelength scatterers—with inverse‐scattering algorithms in a single large‐scale optimization involving degrees of freedom. The resulting structures scatter light in a way that is radically different from either a conventional lens or a random microstructure, and suppress the noise sensitivity of the inverse‐scattering computation by several orders of magnitude. Incorporating the full wave physics is especially crucial for detecting spectral and polarization information that is discarded by geometric optics and scalar diffraction theory."}],"intvolume":" 10","OA_place":"publisher","publication":"Nanophotonics","title":"End‐to‐end nanophotonic inverse design for imaging and polarimetry","publication_status":"published","OA_type":"gold","day":"23","quality_controlled":"1","main_file_link":[{"url":"https://doi.org/10.1515/nanoph-2020-0579","open_access":"1"}],"language":[{"iso":"eng"}],"author":[{"full_name":"Lin, Zin","first_name":"Zin","last_name":"Lin"},{"full_name":"Roques-Carmes, Charles","first_name":"Charles","id":"e2e68fc9-6505-11ef-a541-eb4e72cc3e82","last_name":"Roques-Carmes"},{"last_name":"Pestourie","first_name":"Raphaël","full_name":"Pestourie, Raphaël"},{"full_name":"Soljačić, Marin","first_name":"Marin","last_name":"Soljačić"},{"full_name":"Majumdar, Arka","last_name":"Majumdar","first_name":"Arka"},{"full_name":"Johnson, Steven G.","first_name":"Steven G.","last_name":"Johnson"}],"citation":{"apa":"Lin, Z., Roques-Carmes, C., Pestourie, R., Soljačić, M., Majumdar, A., & Johnson, S. G. (2020). End‐to‐end nanophotonic inverse design for imaging and polarimetry. Nanophotonics. Wiley. https://doi.org/10.1515/nanoph-2020-0579","ama":"Lin Z, Roques-Carmes C, Pestourie R, Soljačić M, Majumdar A, Johnson SG. End‐to‐end nanophotonic inverse design for imaging and polarimetry. Nanophotonics. 2020;10(3):1177-1187. doi:10.1515/nanoph-2020-0579","ista":"Lin Z, Roques-Carmes C, Pestourie R, Soljačić M, Majumdar A, Johnson SG. 2020. End‐to‐end nanophotonic inverse design for imaging and polarimetry. Nanophotonics. 10(3), 1177–1187.","chicago":"Lin, Zin, Charles Roques-Carmes, Raphaël Pestourie, Marin Soljačić, Arka Majumdar, and Steven G. Johnson. “End‐to‐end Nanophotonic Inverse Design for Imaging and Polarimetry.” Nanophotonics. Wiley, 2020. https://doi.org/10.1515/nanoph-2020-0579.","short":"Z. Lin, C. Roques-Carmes, R. Pestourie, M. Soljačić, A. Majumdar, S.G. Johnson, Nanophotonics 10 (2020) 1177–1187.","ieee":"Z. Lin, C. Roques-Carmes, R. Pestourie, M. Soljačić, A. Majumdar, and S. G. Johnson, “End‐to‐end nanophotonic inverse design for imaging and polarimetry,” Nanophotonics, vol. 10, no. 3. Wiley, pp. 1177–1187, 2020.","mla":"Lin, Zin, et al. “End‐to‐end Nanophotonic Inverse Design for Imaging and Polarimetry.” Nanophotonics, vol. 10, no. 3, Wiley, 2020, pp. 1177–87, doi:10.1515/nanoph-2020-0579."},"article_processing_charge":"No","page":"1177-1187","oa":1,"arxiv":1,"publication_identifier":{"eissn":["2192-8614"],"issn":["2192-8614"]},"scopus_import":"1","month":"12","volume":10,"oa_version":"Published Version","DOAJ_listed":"1","_id":"21642","tmp":{"short":"CC BY (4.0)","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)"},"doi":"10.1515/nanoph-2020-0579","external_id":{"arxiv":["2006.09145"]},"extern":"1","date_updated":"2026-04-27T09:29:25Z","date_published":"2020-12-23T00:00:00Z","status":"public","user_id":"ba8df636-2132-11f1-aed0-ed93e2281fdd","date_created":"2026-03-30T12:22:48Z","keyword":["computational imaging","end-to-end photonic inverse design","inverse scattering","meta-optics","polarimetry"],"publisher":"Wiley","article_type":"original","type":"journal_article","issue":"3","ddc":["530"],"year":"2020"},{"doi":"10.1021/acs.accounts.0c00434","oa_version":"Published Version","_id":"13361","external_id":{"pmid":["32969638"]},"date_updated":"2024-10-14T12:12:31Z","extern":"1","date_created":"2023-08-01T09:35:50Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","keyword":["General Medicine","General Chemistry"],"status":"public","date_published":"2020-11-17T00:00:00Z","pmid":1,"issue":"11","year":"2020","type":"journal_article","article_type":"original","publisher":"American Chemical Society","publication":"Accounts of Chemical Research","intvolume":" 53","abstract":[{"text":"In nature, light is harvested by photoactive proteins to drive a range of biological processes, including photosynthesis, phototaxis, vision, and ultimately life. Bacteriorhodopsin, for example, is a protein embedded within archaeal cell membranes that binds the chromophore retinal within its hydrophobic pocket. Exposure to light triggers regioselective photoisomerization of the confined retinal, which in turn initiates a cascade of conformational changes within the protein, triggering proton flux against the concentration gradient, providing the microorganisms with the energy to live. We are inspired by these functions in nature to harness light energy using synthetic photoswitches under confinement. Like retinal, synthetic photoswitches require some degree of conformational flexibility to isomerize. In nature, the conformational change associated with retinal isomerization is accommodated by the structural flexibility of the opsin host, yet it results in steric communication between the chromophore and the protein. Similarly, we strive to design systems wherein isomerization of confined photoswitches results in steric communication between a photoswitch and its confining environment. To achieve this aim, a balance must be struck between molecular crowding and conformational freedom under confinement: too much crowding prevents switching, whereas too much freedom resembles switching of isolated molecules in solution, preventing communication.\r\n\r\nIn this Account, we discuss five classes of synthetic light-switchable compounds—diarylethenes, anthracenes, azobenzenes, spiropyrans, and donor–acceptor Stenhouse adducts—comparing their behaviors under confinement and in solution. The environments employed to confine these photoswitches are diverse, ranging from planar surfaces to nanosized cavities within coordination cages, nanoporous frameworks, and nanoparticle aggregates. The trends that emerge are primarily dependent on the nature of the photoswitch and not on the material used for confinement. In general, we find that photoswitches requiring less conformational freedom for switching are, as expected, more straightforward to isomerize reversibly under confinement. Because these compounds undergo only small structural changes upon isomerization, however, switching does not propagate into communication with their environment. Conversely, photoswitches that require more conformational freedom are more challenging to switch under confinement but also can influence system-wide behavior.\r\n\r\nAlthough we are primarily interested in the effects of geometric constraints on photoswitching under confinement, additional effects inevitably emerge when a compound is removed from solution and placed within a new, more crowded environment. For instance, we have found that compounds that convert to zwitterionic isomers upon light irradiation often experience stabilization of these forms under confinement. This effect results from the mutual stabilization of zwitterions that are brought into close proximity on surfaces or within cavities. Furthermore, photoswitches can experience preorganization under confinement, influencing the selectivity and efficiency of their photoreactions. Because intermolecular interactions arising from confinement cannot be considered independently from the effects of geometric constraints, we describe all confinement effects concurrently throughout this Account.","lang":"eng"}],"title":"Molecular photoswitching in confined spaces","publication_status":"published","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1021/acs.accounts.0c00434"}],"day":"17","quality_controlled":"1","oa":1,"author":[{"full_name":"Grommet, Angela B.","first_name":"Angela B.","last_name":"Grommet"},{"last_name":"Lee","first_name":"Lucia M.","full_name":"Lee, Lucia M."},{"full_name":"Klajn, Rafal","first_name":"Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","last_name":"Klajn"}],"language":[{"iso":"eng"}],"page":"2600-2610","article_processing_charge":"No","citation":{"mla":"Grommet, Angela B., et al. “Molecular Photoswitching in Confined Spaces.” Accounts of Chemical Research, vol. 53, no. 11, American Chemical Society, 2020, pp. 2600–10, doi:10.1021/acs.accounts.0c00434.","ieee":"A. B. Grommet, L. M. Lee, and R. Klajn, “Molecular photoswitching in confined spaces,” Accounts of Chemical Research, vol. 53, no. 11. American Chemical Society, pp. 2600–2610, 2020.","short":"A.B. Grommet, L.M. Lee, R. Klajn, Accounts of Chemical Research 53 (2020) 2600–2610.","ama":"Grommet AB, Lee LM, Klajn R. Molecular photoswitching in confined spaces. Accounts of Chemical Research. 2020;53(11):2600-2610. doi:10.1021/acs.accounts.0c00434","apa":"Grommet, A. B., Lee, L. M., & Klajn, R. (2020). Molecular photoswitching in confined spaces. Accounts of Chemical Research. American Chemical Society. https://doi.org/10.1021/acs.accounts.0c00434","chicago":"Grommet, Angela B., Lucia M. Lee, and Rafal Klajn. “Molecular Photoswitching in Confined Spaces.” Accounts of Chemical Research. American Chemical Society, 2020. https://doi.org/10.1021/acs.accounts.0c00434.","ista":"Grommet AB, Lee LM, Klajn R. 2020. Molecular photoswitching in confined spaces. Accounts of Chemical Research. 53(11), 2600–2610."},"volume":53,"month":"11","scopus_import":"1","publication_identifier":{"eissn":["1520-4898"],"issn":["0001-4842"]}},{"type":"journal_article","article_type":"original","publisher":"American Chemical Society","year":"2020","issue":"41","pmid":1,"status":"public","date_published":"2020-10-04T00:00:00Z","keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"date_created":"2023-08-01T09:36:10Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2024-10-14T12:12:41Z","extern":"1","external_id":{"pmid":["33006898"]},"_id":"13362","oa_version":"Published Version","doi":"10.1021/jacs.0c08589","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"volume":142,"scopus_import":"1","month":"10","page":"17721-17729","article_processing_charge":"No","citation":{"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.","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.","short":"J. Gemen, J. Ahrens, L.J.W. Shimon, R. Klajn, Journal of the American Chemical Society 142 (2020) 17721–17729.","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.","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.","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","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"},"author":[{"first_name":"Julius","last_name":"Gemen","full_name":"Gemen, Julius"},{"last_name":"Ahrens","first_name":"Johannes","full_name":"Ahrens, Johannes"},{"full_name":"Shimon, Linda J. W.","first_name":"Linda J. W.","last_name":"Shimon"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","first_name":"Rafal","last_name":"Klajn","full_name":"Klajn, Rafal"}],"language":[{"iso":"eng"}],"oa":1,"quality_controlled":"1","day":"04","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1021/jacs.0c08589"}],"title":"Modulating the optical properties of BODIPY dyes by noncovalent dimerization within a flexible coordination cage","publication_status":"published","publication":"Journal of the American Chemical Society","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."}],"intvolume":" 142"},{"year":"2020","issue":"37","pmid":1,"publisher":"Wiley","type":"journal_article","article_type":"original","keyword":["Biomaterials","Biotechnology","General Materials Science","General Chemistry"],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2023-08-01T09:36:48Z","date_published":"2020-08-11T00:00:00Z","status":"public","extern":"1","date_updated":"2023-08-07T10:11:41Z","external_id":{"pmid":["32783385"]},"doi":"10.1002/smll.202002135","article_number":"2002135","_id":"13363","oa_version":"Published Version","month":"08","scopus_import":"1","volume":16,"publication_identifier":{"eissn":["1613-6829"],"issn":["1613-6810"]},"oa":1,"citation":{"short":"S. Moreno, P. Sharan, J. Engelke, H. Gumz, S. Boye, U. Oertel, P. Wang, S. Banerjee, R. Klajn, B. Voit, A. Lederer, D. Appelhans, Small 16 (2020).","ama":"Moreno S, Sharan P, Engelke J, et al. Light‐driven proton transfer for cyclic and temporal switching of enzymatic nanoreactors. Small. 2020;16(37). doi:10.1002/smll.202002135","apa":"Moreno, S., Sharan, P., Engelke, J., Gumz, H., Boye, S., Oertel, U., … Appelhans, D. (2020). Light‐driven proton transfer for cyclic and temporal switching of enzymatic nanoreactors. Small. Wiley. https://doi.org/10.1002/smll.202002135","ista":"Moreno S, Sharan P, Engelke J, Gumz H, Boye S, Oertel U, Wang P, Banerjee S, Klajn R, Voit B, Lederer A, Appelhans D. 2020. Light‐driven proton transfer for cyclic and temporal switching of enzymatic nanoreactors. Small. 16(37), 2002135.","chicago":"Moreno, Silvia, Priyanka Sharan, Johanna Engelke, Hannes Gumz, Susanne Boye, Ulrich Oertel, Peng Wang, et al. “Light‐driven Proton Transfer for Cyclic and Temporal Switching of Enzymatic Nanoreactors.” Small. Wiley, 2020. https://doi.org/10.1002/smll.202002135.","mla":"Moreno, Silvia, et al. “Light‐driven Proton Transfer for Cyclic and Temporal Switching of Enzymatic Nanoreactors.” Small, vol. 16, no. 37, 2002135, Wiley, 2020, doi:10.1002/smll.202002135.","ieee":"S. Moreno et al., “Light‐driven proton transfer for cyclic and temporal switching of enzymatic nanoreactors,” Small, vol. 16, no. 37. Wiley, 2020."},"article_processing_charge":"No","language":[{"iso":"eng"}],"author":[{"first_name":"Silvia","last_name":"Moreno","full_name":"Moreno, Silvia"},{"first_name":"Priyanka","last_name":"Sharan","full_name":"Sharan, Priyanka"},{"full_name":"Engelke, Johanna","first_name":"Johanna","last_name":"Engelke"},{"first_name":"Hannes","last_name":"Gumz","full_name":"Gumz, Hannes"},{"first_name":"Susanne","last_name":"Boye","full_name":"Boye, Susanne"},{"full_name":"Oertel, Ulrich","last_name":"Oertel","first_name":"Ulrich"},{"full_name":"Wang, Peng","first_name":"Peng","last_name":"Wang"},{"full_name":"Banerjee, Susanta","last_name":"Banerjee","first_name":"Susanta"},{"first_name":"Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","last_name":"Klajn","full_name":"Klajn, Rafal"},{"full_name":"Voit, Brigitte","last_name":"Voit","first_name":"Brigitte"},{"last_name":"Lederer","first_name":"Albena","full_name":"Lederer, Albena"},{"first_name":"Dietmar","last_name":"Appelhans","full_name":"Appelhans, Dietmar"}],"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1002/smll.202002135"}],"quality_controlled":"1","day":"11","publication_status":"published","title":"Light‐driven proton transfer for cyclic and temporal switching of enzymatic nanoreactors","intvolume":" 16","abstract":[{"lang":"eng","text":"Temporal activation of biological processes by visible light and subsequent return to an inactive state in the absence of light is an essential characteristic of photoreceptor cells. Inspired by these phenomena, light-responsive materials are very attractive due to the high spatiotemporal control of light irradiation, with light being able to precisely orchestrate processes repeatedly over many cycles. Herein, it is reported that light-driven proton transfer triggered by a merocyanine-based photoacid can be used to modulate the permeability of pH-responsive polymersomes through cyclic, temporally controlled protonation and deprotonation of the polymersome membrane. The membranes can undergo repeated light-driven swelling–contraction cycles without losing functional effectiveness. When applied to enzyme loaded-nanoreactors, this membrane responsiveness is used for the reversible control of enzymatic reactions. This combination of the merocyanine-based photoacid and pH-switchable nanoreactors results in rapidly responding and versatile supramolecular systems successfully used to switch enzymatic reactions ON and OFF on demand."}],"publication":"Small"},{"day":"14","quality_controlled":"1","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1021/jacs.0c06146"}],"abstract":[{"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.","lang":"eng"}],"intvolume":" 142","publication":"Journal of the American Chemical Society","title":"Improving fatigue resistance of dihydropyrene by encapsulation within a coordination cage","publication_status":"published","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"scopus_import":"1","month":"08","volume":142,"language":[{"iso":"eng"}],"author":[{"first_name":"Martina","last_name":"Canton","full_name":"Canton, Martina"},{"full_name":"Grommet, Angela B.","first_name":"Angela B.","last_name":"Grommet"},{"first_name":"Luca","last_name":"Pesce","full_name":"Pesce, Luca"},{"last_name":"Gemen","first_name":"Julius","full_name":"Gemen, Julius"},{"last_name":"Li","first_name":"Shiming","full_name":"Li, Shiming"},{"full_name":"Diskin-Posner, Yael","first_name":"Yael","last_name":"Diskin-Posner"},{"last_name":"Credi","first_name":"Alberto","full_name":"Credi, Alberto"},{"full_name":"Pavan, Giovanni M.","first_name":"Giovanni M.","last_name":"Pavan"},{"first_name":"Joakim","last_name":"Andréasson","full_name":"Andréasson, Joakim"},{"full_name":"Klajn, Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","first_name":"Rafal","last_name":"Klajn"}],"citation":{"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.","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","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","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.","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.","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."},"article_processing_charge":"No","page":"14557-14565","oa":1,"external_id":{"pmid":["32791832"]},"extern":"1","date_updated":"2023-08-07T10:15:38Z","oa_version":"Published Version","_id":"13364","doi":"10.1021/jacs.0c06146","publisher":"American Chemical Society","article_type":"original","type":"journal_article","issue":"34","pmid":1,"year":"2020","date_published":"2020-08-14T00:00:00Z","status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_created":"2023-08-01T09:36:59Z","keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"]},{"page":"9792-9802","article_processing_charge":"No","citation":{"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.","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.","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.","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.","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","short":"L. Pesce, C. Perego, A.B. Grommet, R. Klajn, G.M. Pavan, Journal of the American Chemical Society 142 (2020) 9792–9802."},"author":[{"full_name":"Pesce, Luca","first_name":"Luca","last_name":"Pesce"},{"last_name":"Perego","first_name":"Claudio","full_name":"Perego, Claudio"},{"last_name":"Grommet","first_name":"Angela B.","full_name":"Grommet, Angela B."},{"last_name":"Klajn","first_name":"Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","full_name":"Klajn, Rafal"},{"full_name":"Pavan, Giovanni M.","last_name":"Pavan","first_name":"Giovanni M."}],"language":[{"iso":"eng"}],"oa":1,"publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"volume":142,"scopus_import":"1","month":"04","title":"Molecular factors controlling the isomerization of Azobenzenes in the cavity of a flexible coordination cage","publication_status":"published","publication":"Journal of the American Chemical Society","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."}],"intvolume":" 142","quality_controlled":"1","day":"30","main_file_link":[{"url":"https://doi.org/10.1021/jacs.0c03444","open_access":"1"}],"status":"public","date_published":"2020-04-30T00:00:00Z","keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"date_created":"2023-08-01T09:37:12Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","type":"journal_article","article_type":"original","publisher":"American Chemical Society","year":"2020","pmid":1,"issue":"21","_id":"13365","oa_version":"Published Version","doi":"10.1021/jacs.0c03444","date_updated":"2023-08-07T10:18:53Z","extern":"1","external_id":{"pmid":["32353237"]}}]