[{"volume":134,"doi":"10.1021/ja302598j","type":"journal_article","month":"05","date_created":"2020-09-18T10:10:28Z","abstract":[{"text":"Recent advances in NMR spectroscopy and the availability of high magnetic field strengths now offer the possibility to record real-time 3D NMR spectra of short-lived protein states, e.g., states that become transiently populated during protein folding. Here we present a strategy for obtaining sequential NMR assignments as well as atom-resolved information on structural and dynamic features within a folding intermediate of the amyloidogenic protein β2-microglobulin that has a half-lifetime of only 20 min.","lang":"eng"}],"quality_controlled":"1","extern":"1","article_type":"original","title":"Real-time NMR characterization of structure and dynamics in a transiently populated protein folding intermediate","publication_identifier":{"issn":["0002-7863","1520-5126"]},"status":"public","_id":"8466","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"date_updated":"2021-01-12T08:19:28Z","publication":"Journal of the American Chemical Society","oa_version":"None","author":[{"full_name":"Rennella, Enrico","last_name":"Rennella","first_name":"Enrico"},{"last_name":"Cutuil","first_name":"Thomas","full_name":"Cutuil, Thomas"},{"first_name":"Paul","last_name":"Schanda","full_name":"Schanda, Paul","orcid":"0000-0002-9350-7606","id":"7B541462-FAF6-11E9-A490-E8DFE5697425"},{"first_name":"Isabel","last_name":"Ayala","full_name":"Ayala, Isabel"},{"full_name":"Forge, Vincent","first_name":"Vincent","last_name":"Forge"},{"first_name":"Bernhard","last_name":"Brutscher","full_name":"Brutscher, Bernhard"}],"publication_status":"published","page":"8066-8069","article_processing_charge":"No","date_published":"2012-05-03T00:00:00Z","day":"03","citation":{"ieee":"E. Rennella, T. Cutuil, P. Schanda, I. Ayala, V. Forge, and B. Brutscher, “Real-time NMR characterization of structure and dynamics in a transiently populated protein folding intermediate,” <i>Journal of the American Chemical Society</i>, vol. 134, no. 19. American Chemical Society, pp. 8066–8069, 2012.","ista":"Rennella E, Cutuil T, Schanda P, Ayala I, Forge V, Brutscher B. 2012. Real-time NMR characterization of structure and dynamics in a transiently populated protein folding intermediate. Journal of the American Chemical Society. 134(19), 8066–8069.","chicago":"Rennella, Enrico, Thomas Cutuil, Paul Schanda, Isabel Ayala, Vincent Forge, and Bernhard Brutscher. “Real-Time NMR Characterization of Structure and Dynamics in a Transiently Populated Protein Folding Intermediate.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2012. <a href=\"https://doi.org/10.1021/ja302598j\">https://doi.org/10.1021/ja302598j</a>.","ama":"Rennella E, Cutuil T, Schanda P, Ayala I, Forge V, Brutscher B. Real-time NMR characterization of structure and dynamics in a transiently populated protein folding intermediate. <i>Journal of the American Chemical Society</i>. 2012;134(19):8066-8069. doi:<a href=\"https://doi.org/10.1021/ja302598j\">10.1021/ja302598j</a>","short":"E. Rennella, T. Cutuil, P. Schanda, I. Ayala, V. Forge, B. Brutscher, Journal of the American Chemical Society 134 (2012) 8066–8069.","apa":"Rennella, E., Cutuil, T., Schanda, P., Ayala, I., Forge, V., &#38; Brutscher, B. (2012). Real-time NMR characterization of structure and dynamics in a transiently populated protein folding intermediate. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja302598j\">https://doi.org/10.1021/ja302598j</a>","mla":"Rennella, Enrico, et al. “Real-Time NMR Characterization of Structure and Dynamics in a Transiently Populated Protein Folding Intermediate.” <i>Journal of the American Chemical Society</i>, vol. 134, no. 19, American Chemical Society, 2012, pp. 8066–69, doi:<a href=\"https://doi.org/10.1021/ja302598j\">10.1021/ja302598j</a>."},"publisher":"American Chemical Society","intvolume":"       134","issue":"19","year":"2012"},{"quality_controlled":"1","abstract":[{"lang":"eng","text":"Carbon has been used widely as the basis of porous cathodes for nonaqueous Li–O2 cells. However, the stability of carbon and the effect of carbon on electrolyte decomposition in such cells are complex and depend on the hydrophobicity/hydrophilicity of the carbon surface. Analyzing carbon cathodes, cycled in Li–O2 cells between 2 and 4 V, using acid treatment and Fenton’s reagent, and combined with differential electrochemical mass spectrometry and FTIR, demonstrates the following: Carbon is relatively stable below 3.5 V (vs Li/Li+) on discharge or charge, especially so for hydrophobic carbon, but is unstable on charging above 3.5 V (in the presence of Li2O2), oxidatively decomposing to form Li2CO3. Direct chemical reaction with Li2O2 accounts for only a small proportion of the total carbon decomposition on cycling. Carbon promotes electrolyte decomposition during discharge and charge in a Li–O2 cell, giving rise to Li2CO3 and Li carboxylates (DMSO and tetraglyme electrolytes). The Li2CO3 and Li carboxylates present at the end of discharge and those that form on charge result in polarization on the subsequent charge. Li2CO3 (derived from carbon and from the electrolyte) as well as the Li carboxylates (derived from the electrolyte) decompose and form on charging. Oxidation of Li2CO3 on charging to ∼4 V is incomplete; Li2CO3 accumulates on cycling resulting in electrode passivation and capacity fading. Hydrophilic carbon is less stable and more catalytically active toward electrolyte decomposition than carbon with a hydrophobic surface. If the Li–O2 cell could be charged at or below 3.5 V, then carbon may be relatively stable, however, its ability to promote electrolyte decomposition, presenting problems for its use in a practical Li–O2 battery. The results emphasize that stable cycling of Li2O2 at the cathode in a Li–O2 cell depends on the synergy between electrolyte and electrode; the stability of the electrode and the electrolyte cannot be considered in isolation."}],"month":"11","date_created":"2020-01-15T12:18:57Z","article_type":"original","extern":"1","publication_identifier":{"issn":["0002-7863","1520-5126"]},"title":"The carbon electrode in nonaqueous Li–O2 cells","status":"public","_id":"7308","doi":"10.1021/ja310258x","volume":135,"type":"journal_article","page":"494-500","publication_status":"published","day":"28","date_published":"2012-11-28T00:00:00Z","article_processing_charge":"No","publisher":"ACS","citation":{"ama":"Ottakam Thotiyl MM, Freunberger SA, Peng Z, Bruce PG. The carbon electrode in nonaqueous Li–O2 cells. <i>Journal of the American Chemical Society</i>. 2012;135(1):494-500. doi:<a href=\"https://doi.org/10.1021/ja310258x\">10.1021/ja310258x</a>","ieee":"M. M. Ottakam Thotiyl, S. A. Freunberger, Z. Peng, and P. G. Bruce, “The carbon electrode in nonaqueous Li–O2 cells,” <i>Journal of the American Chemical Society</i>, vol. 135, no. 1. ACS, pp. 494–500, 2012.","chicago":"Ottakam Thotiyl, Muhammed M., Stefan Alexander Freunberger, Zhangquan Peng, and Peter G. Bruce. “The Carbon Electrode in Nonaqueous Li–O2 Cells.” <i>Journal of the American Chemical Society</i>. ACS, 2012. <a href=\"https://doi.org/10.1021/ja310258x\">https://doi.org/10.1021/ja310258x</a>.","ista":"Ottakam Thotiyl MM, Freunberger SA, Peng Z, Bruce PG. 2012. The carbon electrode in nonaqueous Li–O2 cells. Journal of the American Chemical Society. 135(1), 494–500.","short":"M.M. Ottakam Thotiyl, S.A. Freunberger, Z. Peng, P.G. Bruce, Journal of the American Chemical Society 135 (2012) 494–500.","mla":"Ottakam Thotiyl, Muhammed M., et al. “The Carbon Electrode in Nonaqueous Li–O2 Cells.” <i>Journal of the American Chemical Society</i>, vol. 135, no. 1, ACS, 2012, pp. 494–500, doi:<a href=\"https://doi.org/10.1021/ja310258x\">10.1021/ja310258x</a>.","apa":"Ottakam Thotiyl, M. M., Freunberger, S. A., Peng, Z., &#38; Bruce, P. G. (2012). The carbon electrode in nonaqueous Li–O2 cells. <i>Journal of the American Chemical Society</i>. ACS. <a href=\"https://doi.org/10.1021/ja310258x\">https://doi.org/10.1021/ja310258x</a>"},"year":"2012","issue":"1","intvolume":"       135","language":[{"iso":"eng"}],"date_updated":"2021-01-12T08:12:56Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication":"Journal of the American Chemical Society","author":[{"full_name":"Ottakam Thotiyl, Muhammed M.","first_name":"Muhammed M.","last_name":"Ottakam Thotiyl"},{"first_name":"Stefan Alexander","last_name":"Freunberger","full_name":"Freunberger, Stefan Alexander","orcid":"0000-0003-2902-5319","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425"},{"full_name":"Peng, Zhangquan","last_name":"Peng","first_name":"Zhangquan"},{"first_name":"Peter G.","last_name":"Bruce","full_name":"Bruce, Peter G."}],"oa_version":"None"},{"month":"04","date_created":"2020-01-15T12:19:36Z","quality_controlled":"1","abstract":[{"text":"Stability of the electrolyte toward reduced oxygen species generated at the cathode is a crucial challenge for the rechargeable nonaqueous Li–O2 battery. Here, we investigate dimethylformamide as the basis of an electrolyte. Although reactions at the O2 cathode on the first discharge–charge cycle are dominated by reversible Li2O2 formation/decomposition, there is also electrolyte decomposition, which increases on cycling. The products of decomposition at the cathode on discharge are Li2O2, Li2CO3, HCO2Li, CH3CO2Li, NO, H2O, and CO2. Li2CO3 accumulates in the electrode with cycling. The stability of dimethylformamide toward reduced oxygen species is insufficient for its use in the rechargeable nonaqueous Li–O2 battery.","lang":"eng"}],"extern":"1","article_type":"original","title":"Li–O2 battery with a dimethylformamide electrolyte","publication_identifier":{"issn":["0002-7863","1520-5126"]},"_id":"7311","status":"public","volume":134,"doi":"10.1021/ja302178w","type":"journal_article","publication_status":"published","page":"7952-7957","article_processing_charge":"No","date_published":"2012-04-19T00:00:00Z","day":"19","citation":{"ista":"Chen Y, Freunberger SA, Peng Z, Bardé F, Bruce PG. 2012. Li–O2 battery with a dimethylformamide electrolyte. Journal of the American Chemical Society. 134(18), 7952–7957.","ieee":"Y. Chen, S. A. Freunberger, Z. Peng, F. Bardé, and P. G. Bruce, “Li–O2 battery with a dimethylformamide electrolyte,” <i>Journal of the American Chemical Society</i>, vol. 134, no. 18. ACS, pp. 7952–7957, 2012.","chicago":"Chen, Yuhui, Stefan Alexander Freunberger, Zhangquan Peng, Fanny Bardé, and Peter G. Bruce. “Li–O2 Battery with a Dimethylformamide Electrolyte.” <i>Journal of the American Chemical Society</i>. ACS, 2012. <a href=\"https://doi.org/10.1021/ja302178w\">https://doi.org/10.1021/ja302178w</a>.","ama":"Chen Y, Freunberger SA, Peng Z, Bardé F, Bruce PG. Li–O2 battery with a dimethylformamide electrolyte. <i>Journal of the American Chemical Society</i>. 2012;134(18):7952-7957. doi:<a href=\"https://doi.org/10.1021/ja302178w\">10.1021/ja302178w</a>","short":"Y. Chen, S.A. Freunberger, Z. Peng, F. Bardé, P.G. Bruce, Journal of the American Chemical Society 134 (2012) 7952–7957.","apa":"Chen, Y., Freunberger, S. A., Peng, Z., Bardé, F., &#38; Bruce, P. G. (2012). Li–O2 battery with a dimethylformamide electrolyte. <i>Journal of the American Chemical Society</i>. ACS. <a href=\"https://doi.org/10.1021/ja302178w\">https://doi.org/10.1021/ja302178w</a>","mla":"Chen, Yuhui, et al. “Li–O2 Battery with a Dimethylformamide Electrolyte.” <i>Journal of the American Chemical Society</i>, vol. 134, no. 18, ACS, 2012, pp. 7952–57, doi:<a href=\"https://doi.org/10.1021/ja302178w\">10.1021/ja302178w</a>."},"publisher":"ACS","intvolume":"       134","issue":"18","year":"2012","publication":"Journal of the American Chemical Society","date_updated":"2021-01-12T08:12:58Z","language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"None","author":[{"first_name":"Yuhui","last_name":"Chen","full_name":"Chen, Yuhui"},{"first_name":"Stefan Alexander","last_name":"Freunberger","full_name":"Freunberger, Stefan Alexander","orcid":"0000-0003-2902-5319","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425"},{"last_name":"Peng","first_name":"Zhangquan","full_name":"Peng, Zhangquan"},{"last_name":"Bardé","first_name":"Fanny","full_name":"Bardé, Fanny"},{"full_name":"Bruce, Peter G.","first_name":"Peter G.","last_name":"Bruce"}]},{"_id":"18001","status":"public","title":"Importance of direct metal−π coupling in electronic transport through conjugated single-molecule junctions","extern":"1","date_created":"2024-09-09T11:39:25Z","abstract":[{"text":"We study the effects of molecular structure on the electronic transport and mechanical stability of single-molecule junctions formed with Au point contacts. Two types of linear conjugated molecular wires are compared: those functionalized with methylsulfide or amine aurophilic groups at (1) both or (2) only one of its phenyl termini. Using scanning tunneling and atomic force microscope break-junction techniques, the conductance of mono- and difunctionalized molecular wires and its dependence on junction elongation and rupture forces were studied. Charge transport through monofunctionalized wires is observed when the molecular bridge is coupled through a S–Au donor–acceptor bond on one end and a relatively weak Au−π interaction on the other end. For monofunctionalized molecular wires, junctions can be mechanically stabilized by installing a second aurophilic group at the meta position that, however, does not in itself contribute to a new conduction pathway. These results reveal the important interplay between electronic coupling through metal−π interactions and quantum mechanical effects introduced by chemical substitution on the conjugated system. This study affords a strategy to deterministically tune the electrical and mechanical properties through molecular wires.","lang":"eng"}],"oa_version":"None","scopus_import":"1","date_updated":"2025-01-03T08:54:09Z","year":"2012","pmid":1,"OA_type":"closed access","page":"20440-20445","publication_status":"published","external_id":{"pmid":["23167533"]},"type":"journal_article","volume":134,"doi":"10.1021/ja308626m","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"article_type":"original","month":"11","quality_controlled":"1","author":[{"full_name":"Meisner, Jeffrey S.","first_name":"Jeffrey S.","last_name":"Meisner"},{"first_name":"Seokhoon","last_name":"Ahn","full_name":"Ahn, Seokhoon"},{"full_name":"Aradhya, Sriharsha V.","last_name":"Aradhya","first_name":"Sriharsha V."},{"full_name":"Krikorian, Markrete","last_name":"Krikorian","first_name":"Markrete"},{"first_name":"Radha","last_name":"Parameswaran","full_name":"Parameswaran, Radha"},{"full_name":"Steigerwald, Michael","first_name":"Michael","last_name":"Steigerwald"},{"orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman","first_name":"Latha","full_name":"Venkataraman, Latha"},{"full_name":"Nuckolls, Colin","first_name":"Colin","last_name":"Nuckolls"}],"language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication":"Journal of the American Chemical Society","intvolume":"       134","issue":"50","citation":{"ista":"Meisner JS, Ahn S, Aradhya SV, Krikorian M, Parameswaran R, Steigerwald M, Venkataraman L, Nuckolls C. 2012. Importance of direct metal−π coupling in electronic transport through conjugated single-molecule junctions. Journal of the American Chemical Society. 134(50), 20440–20445.","ieee":"J. S. Meisner <i>et al.</i>, “Importance of direct metal−π coupling in electronic transport through conjugated single-molecule junctions,” <i>Journal of the American Chemical Society</i>, vol. 134, no. 50. American Chemical Society, pp. 20440–20445, 2012.","chicago":"Meisner, Jeffrey S., Seokhoon Ahn, Sriharsha V. Aradhya, Markrete Krikorian, Radha Parameswaran, Michael Steigerwald, Latha Venkataraman, and Colin Nuckolls. “Importance of Direct Metal−π Coupling in Electronic Transport through Conjugated Single-Molecule Junctions.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2012. <a href=\"https://doi.org/10.1021/ja308626m\">https://doi.org/10.1021/ja308626m</a>.","ama":"Meisner JS, Ahn S, Aradhya SV, et al. Importance of direct metal−π coupling in electronic transport through conjugated single-molecule junctions. <i>Journal of the American Chemical Society</i>. 2012;134(50):20440-20445. doi:<a href=\"https://doi.org/10.1021/ja308626m\">10.1021/ja308626m</a>","short":"J.S. Meisner, S. Ahn, S.V. Aradhya, M. Krikorian, R. Parameswaran, M. Steigerwald, L. Venkataraman, C. Nuckolls, Journal of the American Chemical Society 134 (2012) 20440–20445.","apa":"Meisner, J. S., Ahn, S., Aradhya, S. V., Krikorian, M., Parameswaran, R., Steigerwald, M., … Nuckolls, C. (2012). Importance of direct metal−π coupling in electronic transport through conjugated single-molecule junctions. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja308626m\">https://doi.org/10.1021/ja308626m</a>","mla":"Meisner, Jeffrey S., et al. “Importance of Direct Metal−π Coupling in Electronic Transport through Conjugated Single-Molecule Junctions.” <i>Journal of the American Chemical Society</i>, vol. 134, no. 50, American Chemical Society, 2012, pp. 20440–45, doi:<a href=\"https://doi.org/10.1021/ja308626m\">10.1021/ja308626m</a>."},"publisher":"American Chemical Society","article_processing_charge":"No","day":"21","date_published":"2012-11-21T00:00:00Z"},{"extern":"1","abstract":[{"lang":"eng","text":"Bulk silicon, the bedrock of information technology, consists of the deceptively simple electronic structure of just Si–Si σ bonds. Diamond has the same lattice structure as silicon, yet the two materials have dramatically different electronic properties. Here we report the specific synthesis and electrical characterization of a class of molecules, oligosilanes, that contain strongly interacting Si–Si σ bonds, the essential components of the bulk semiconductor. We used the scanning tunneling microscope-based break-junction technique to compare the single-molecule conductance of these oligosilanes to those of alkanes. We found that the molecular conductance decreases exponentially with increasing chain length with a decay constant β = 0.27 ± 0.01 Å–1, comparable to that of a conjugated chain of C═C π bonds. This result demonstrates the profound implications of σ conjugation for the conductivity of silicon."}],"date_created":"2024-09-09T12:29:56Z","_id":"18009","status":"public","title":"Conductive molecular silicon","publication_status":"published","page":"4541-4544","OA_type":"closed access","year":"2012","pmid":1,"date_updated":"2025-01-03T09:14:29Z","scopus_import":"1","oa_version":"None","article_type":"letter_note","quality_controlled":"1","month":"02","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"doi":"10.1021/ja211677q","volume":134,"type":"journal_article","external_id":{"pmid":["22352896"]},"date_published":"2012-02-21T00:00:00Z","day":"21","article_processing_charge":"No","issue":"10","intvolume":"       134","publisher":"American Chemical Society","citation":{"mla":"Klausen, Rebekka S., et al. “Conductive Molecular Silicon.” <i>Journal of the American Chemical Society</i>, vol. 134, no. 10, American Chemical Society, 2012, pp. 4541–44, doi:<a href=\"https://doi.org/10.1021/ja211677q\">10.1021/ja211677q</a>.","apa":"Klausen, R. S., Widawsky, J. R., Steigerwald, M. L., Venkataraman, L., &#38; Nuckolls, C. (2012). Conductive molecular silicon. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja211677q\">https://doi.org/10.1021/ja211677q</a>","ama":"Klausen RS, Widawsky JR, Steigerwald ML, Venkataraman L, Nuckolls C. Conductive molecular silicon. <i>Journal of the American Chemical Society</i>. 2012;134(10):4541-4544. doi:<a href=\"https://doi.org/10.1021/ja211677q\">10.1021/ja211677q</a>","ieee":"R. S. Klausen, J. R. Widawsky, M. L. Steigerwald, L. Venkataraman, and C. Nuckolls, “Conductive molecular silicon,” <i>Journal of the American Chemical Society</i>, vol. 134, no. 10. American Chemical Society, pp. 4541–4544, 2012.","chicago":"Klausen, Rebekka S., Jonathan R. Widawsky, Michael L. Steigerwald, Latha Venkataraman, and Colin Nuckolls. “Conductive Molecular Silicon.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2012. <a href=\"https://doi.org/10.1021/ja211677q\">https://doi.org/10.1021/ja211677q</a>.","ista":"Klausen RS, Widawsky JR, Steigerwald ML, Venkataraman L, Nuckolls C. 2012. Conductive molecular silicon. Journal of the American Chemical Society. 134(10), 4541–4544.","short":"R.S. Klausen, J.R. Widawsky, M.L. Steigerwald, L. Venkataraman, C. Nuckolls, Journal of the American Chemical Society 134 (2012) 4541–4544."},"language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication":"Journal of the American Chemical Society","author":[{"first_name":"Rebekka S.","last_name":"Klausen","full_name":"Klausen, Rebekka S."},{"full_name":"Widawsky, Jonathan R.","last_name":"Widawsky","first_name":"Jonathan R."},{"full_name":"Steigerwald, Michael L.","last_name":"Steigerwald","first_name":"Michael L."},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","last_name":"Venkataraman","first_name":"Latha"},{"first_name":"Colin","last_name":"Nuckolls","full_name":"Nuckolls, Colin"}]},{"abstract":[{"lang":"eng","text":"We use a modified conducting atomic force microscope to simultaneously probe the conductance of a single-molecule junction and the force required to rupture the junction formed by alkanes terminated with four different chemical link groups which vary in binding strength and mechanism to the gold electrodes. Molecular junctions with amine, methylsulfide, and diphenylphosphine terminated molecules show clear conductance signatures and rupture at a force that is significantly smaller than the measured 1.4 nN force required to rupture the single-atomic gold contact. In contrast, measurements with a thiol terminated alkane which can bind covalently to the gold electrode show conductance and force features unlike those of the other molecules studied. Specifically, the strong Au–S bond can cause structural rearrangements in the electrodes, which are accompanied by substantial conductance changes. Despite the strong Au–S bond and the evidence for disruption of the Au structure, the experiments show that on average these junctions also rupture at a smaller force than that measured for pristine single-atom gold contacts."}],"date_created":"2024-09-09T12:31:14Z","extern":"1","title":"Linker dependent bond rupture force measurements in single-molecule junctions","status":"public","_id":"18011","page":"4003-4006","publication_status":"published","OA_type":"closed access","pmid":1,"year":"2012","date_updated":"2025-01-03T09:24:29Z","oa_version":"None","scopus_import":"1","quality_controlled":"1","month":"02","article_type":"letter_note","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"doi":"10.1021/ja211590d","volume":134,"type":"journal_article","external_id":{"pmid":["22338625"]},"day":"16","date_published":"2012-02-16T00:00:00Z","article_processing_charge":"No","publisher":"American Chemical Society","citation":{"short":"M. Frei, S.V. Aradhya, M.S. Hybertsen, L. Venkataraman, Journal of the American Chemical Society 134 (2012) 4003–4006.","ista":"Frei M, Aradhya SV, Hybertsen MS, Venkataraman L. 2012. Linker dependent bond rupture force measurements in single-molecule junctions. Journal of the American Chemical Society. 134(9), 4003–4006.","ieee":"M. Frei, S. V. Aradhya, M. S. Hybertsen, and L. Venkataraman, “Linker dependent bond rupture force measurements in single-molecule junctions,” <i>Journal of the American Chemical Society</i>, vol. 134, no. 9. American Chemical Society, pp. 4003–4006, 2012.","chicago":"Frei, Michael, Sriharsha V. Aradhya, Mark S. Hybertsen, and Latha Venkataraman. “Linker Dependent Bond Rupture Force Measurements in Single-Molecule Junctions.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2012. <a href=\"https://doi.org/10.1021/ja211590d\">https://doi.org/10.1021/ja211590d</a>.","ama":"Frei M, Aradhya SV, Hybertsen MS, Venkataraman L. Linker dependent bond rupture force measurements in single-molecule junctions. <i>Journal of the American Chemical Society</i>. 2012;134(9):4003-4006. doi:<a href=\"https://doi.org/10.1021/ja211590d\">10.1021/ja211590d</a>","apa":"Frei, M., Aradhya, S. V., Hybertsen, M. S., &#38; Venkataraman, L. (2012). Linker dependent bond rupture force measurements in single-molecule junctions. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja211590d\">https://doi.org/10.1021/ja211590d</a>","mla":"Frei, Michael, et al. “Linker Dependent Bond Rupture Force Measurements in Single-Molecule Junctions.” <i>Journal of the American Chemical Society</i>, vol. 134, no. 9, American Chemical Society, 2012, pp. 4003–06, doi:<a href=\"https://doi.org/10.1021/ja211590d\">10.1021/ja211590d</a>."},"issue":"9","intvolume":"       134","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication":"Journal of the American Chemical Society","language":[{"iso":"eng"}],"author":[{"full_name":"Frei, Michael","last_name":"Frei","first_name":"Michael"},{"full_name":"Aradhya, Sriharsha V.","last_name":"Aradhya","first_name":"Sriharsha V."},{"full_name":"Hybertsen, Mark S.","last_name":"Hybertsen","first_name":"Mark S."},{"first_name":"Latha","last_name":"Venkataraman","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"}]},{"article_type":"original","extern":"1","abstract":[{"lang":"eng","text":"The nonaqueous rechargeable lithium–O2 battery containing an alkyl carbonate electrolyte discharges by formation of C3H6(OCO2Li)2, Li2CO3, HCO2Li, CH3CO2Li, CO2, and H2O at the cathode, due to electrolyte decomposition. Charging involves oxidation of C3H6(OCO2Li)2, Li2CO3, HCO2Li, CH3CO2Li accompanied by CO2 and H2O evolution. Mechanisms are proposed for the reactions on discharge and charge. The different pathways for discharge and charge are consistent with the widely observed voltage gap in Li–O2 cells. Oxidation of C3H6(OCO2Li)2 involves terminal carbonate groups leaving behind the OC3H6O moiety that reacts to form a thick gel on the Li anode. Li2CO3, HCO2Li, CH3CO2Li, and C3H6(OCO2Li)2 accumulate in the cathode on cycling correlating with capacity fading and cell failure. The latter is compounded by continuous consumption of the electrolyte on each discharge."}],"quality_controlled":"1","date_created":"2020-01-15T12:20:43Z","month":"04","status":"public","_id":"7316","publication_identifier":{"issn":["0002-7863","1520-5126"]},"title":"Reactions in the rechargeable Lithium–O2 battery with alkyl carbonate electrolytes","doi":"10.1021/ja2021747","volume":133,"type":"journal_article","day":"27","date_published":"2011-04-27T00:00:00Z","article_processing_charge":"No","publication_status":"published","page":"8040-8047","year":"2011","issue":"20","intvolume":"       133","publisher":"ACS","citation":{"apa":"Freunberger, S. A., Chen, Y., Peng, Z., Griffin, J. M., Hardwick, L. J., Bardé, F., … Bruce, P. G. (2011). Reactions in the rechargeable Lithium–O2 battery with alkyl carbonate electrolytes. <i>Journal of the American Chemical Society</i>. ACS. <a href=\"https://doi.org/10.1021/ja2021747\">https://doi.org/10.1021/ja2021747</a>","mla":"Freunberger, Stefan Alexander, et al. “Reactions in the Rechargeable Lithium–O2 Battery with Alkyl Carbonate Electrolytes.” <i>Journal of the American Chemical Society</i>, vol. 133, no. 20, ACS, 2011, pp. 8040–47, doi:<a href=\"https://doi.org/10.1021/ja2021747\">10.1021/ja2021747</a>.","ieee":"S. A. Freunberger <i>et al.</i>, “Reactions in the rechargeable Lithium–O2 battery with alkyl carbonate electrolytes,” <i>Journal of the American Chemical Society</i>, vol. 133, no. 20. ACS, pp. 8040–8047, 2011.","ista":"Freunberger SA, Chen Y, Peng Z, Griffin JM, Hardwick LJ, Bardé F, Novák P, Bruce PG. 2011. Reactions in the rechargeable Lithium–O2 battery with alkyl carbonate electrolytes. Journal of the American Chemical Society. 133(20), 8040–8047.","chicago":"Freunberger, Stefan Alexander, Yuhui Chen, Zhangquan Peng, John M. Griffin, Laurence J. Hardwick, Fanny Bardé, Petr Novák, and Peter G. Bruce. “Reactions in the Rechargeable Lithium–O2 Battery with Alkyl Carbonate Electrolytes.” <i>Journal of the American Chemical Society</i>. ACS, 2011. <a href=\"https://doi.org/10.1021/ja2021747\">https://doi.org/10.1021/ja2021747</a>.","ama":"Freunberger SA, Chen Y, Peng Z, et al. Reactions in the rechargeable Lithium–O2 battery with alkyl carbonate electrolytes. <i>Journal of the American Chemical Society</i>. 2011;133(20):8040-8047. doi:<a href=\"https://doi.org/10.1021/ja2021747\">10.1021/ja2021747</a>","short":"S.A. Freunberger, Y. Chen, Z. Peng, J.M. Griffin, L.J. Hardwick, F. Bardé, P. Novák, P.G. Bruce, Journal of the American Chemical Society 133 (2011) 8040–8047."},"language":[{"iso":"eng"}],"date_updated":"2021-01-12T08:13:00Z","publication":"Journal of the American Chemical Society","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"full_name":"Freunberger, Stefan Alexander","first_name":"Stefan Alexander","last_name":"Freunberger","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","orcid":"0000-0003-2902-5319"},{"last_name":"Chen","first_name":"Yuhui","full_name":"Chen, Yuhui"},{"full_name":"Peng, Zhangquan","last_name":"Peng","first_name":"Zhangquan"},{"first_name":"John M.","last_name":"Griffin","full_name":"Griffin, John M."},{"first_name":"Laurence J.","last_name":"Hardwick","full_name":"Hardwick, Laurence J."},{"last_name":"Bardé","first_name":"Fanny","full_name":"Bardé, Fanny"},{"first_name":"Petr","last_name":"Novák","full_name":"Novák, Petr"},{"full_name":"Bruce, Peter G.","first_name":"Peter G.","last_name":"Bruce"}],"oa_version":"None"},{"volume":133,"doi":"10.1021/ja208020j","external_id":{"arxiv":["1110.0344"],"pmid":["21939263"]},"type":"journal_article","article_type":"letter_note","month":"09","quality_controlled":"1","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"arxiv":1,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","OA_place":"repository","author":[{"full_name":"Chen, Wenbo","last_name":"Chen","first_name":"Wenbo"},{"last_name":"Widawsky","first_name":"Jonathan R.","full_name":"Widawsky, Jonathan R."},{"full_name":"Vázquez, Héctor","first_name":"Héctor","last_name":"Vázquez"},{"full_name":"Schneebeli, Severin T.","last_name":"Schneebeli","first_name":"Severin T."},{"full_name":"Hybertsen, Mark S.","first_name":"Mark S.","last_name":"Hybertsen"},{"full_name":"Breslow, Ronald","first_name":"Ronald","last_name":"Breslow"},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","last_name":"Venkataraman","first_name":"Latha"}],"article_processing_charge":"No","day":"22","date_published":"2011-09-22T00:00:00Z","main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/1110.0344"}],"intvolume":"       133","issue":"43","citation":{"apa":"Chen, W., Widawsky, J. R., Vázquez, H., Schneebeli, S. T., Hybertsen, M. S., Breslow, R., &#38; Venkataraman, L. (2011). Highly conducting π-conjugated molecular junctions covalently bonded to gold electrodes. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja208020j\">https://doi.org/10.1021/ja208020j</a>","mla":"Chen, Wenbo, et al. “Highly Conducting π-Conjugated Molecular Junctions Covalently Bonded to Gold Electrodes.” <i>Journal of the American Chemical Society</i>, vol. 133, no. 43, American Chemical Society, 2011, pp. 17160–63, doi:<a href=\"https://doi.org/10.1021/ja208020j\">10.1021/ja208020j</a>.","short":"W. Chen, J.R. Widawsky, H. Vázquez, S.T. Schneebeli, M.S. Hybertsen, R. Breslow, L. Venkataraman, Journal of the American Chemical Society 133 (2011) 17160–17163.","ieee":"W. Chen <i>et al.</i>, “Highly conducting π-conjugated molecular junctions covalently bonded to gold electrodes,” <i>Journal of the American Chemical Society</i>, vol. 133, no. 43. American Chemical Society, pp. 17160–17163, 2011.","chicago":"Chen, Wenbo, Jonathan R. Widawsky, Héctor Vázquez, Severin T. Schneebeli, Mark S. Hybertsen, Ronald Breslow, and Latha Venkataraman. “Highly Conducting π-Conjugated Molecular Junctions Covalently Bonded to Gold Electrodes.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2011. <a href=\"https://doi.org/10.1021/ja208020j\">https://doi.org/10.1021/ja208020j</a>.","ista":"Chen W, Widawsky JR, Vázquez H, Schneebeli ST, Hybertsen MS, Breslow R, Venkataraman L. 2011. Highly conducting π-conjugated molecular junctions covalently bonded to gold electrodes. Journal of the American Chemical Society. 133(43), 17160–17163.","ama":"Chen W, Widawsky JR, Vázquez H, et al. Highly conducting π-conjugated molecular junctions covalently bonded to gold electrodes. <i>Journal of the American Chemical Society</i>. 2011;133(43):17160-17163. doi:<a href=\"https://doi.org/10.1021/ja208020j\">10.1021/ja208020j</a>"},"publisher":"American Chemical Society","extern":"1","oa":1,"date_created":"2024-09-09T12:33:46Z","abstract":[{"text":"We measure electronic conductance through single conjugated molecules bonded to Au metal electrodes with direct Au–C covalent bonds using the scanning tunneling microscope based break-junction technique. We start with molecules terminated with trimethyltin end groups that cleave off in situ, resulting in formation of a direct covalent σ bond between the carbon backbone and the gold metal electrodes. The molecular carbon backbone used in this study consist of a conjugated π system that has one terminal methylene group on each end, which bonds to the electrodes, achieving large electronic coupling of the electrodes to the π system. The junctions formed with the prototypical example of 1,4-dimethylenebenzene show a conductance approaching one conductance quantum (G0 = 2e2/h). Junctions formed with methylene-terminated oligophenyls with two to four phenyl units show a 100-fold increase in conductance compared with junctions formed with amine-linked oligophenyls. The conduction mechanism for these longer oligophenyls is tunneling, as they exhibit an exponential dependence of conductance on oligomer length. In addition, density functional theory based calculations for the Au–xylylene–Au junction show near-resonant transmission, with a crossover to tunneling for the longer oligomers.","lang":"eng"}],"_id":"18014","status":"public","title":"Highly conducting π-conjugated molecular junctions covalently bonded to gold electrodes","date_updated":"2025-01-03T09:34:24Z","oa_version":"Preprint","scopus_import":"1","OA_type":"green","page":"17160-17163","publication_status":"published","year":"2011","pmid":1},{"month":"05","quality_controlled":"1","article_type":"letter_note","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"volume":133,"doi":"10.1021/ja201334s","external_id":{"pmid":["21539375"]},"type":"journal_article","article_processing_charge":"No","day":"03","date_published":"2011-05-03T00:00:00Z","citation":{"short":"B.M. Boardman, J.R. Widawsky, Y.S. Park, C.L. Schenck, L. Venkataraman, M.L. Steigerwald, C. Nuckolls, Journal of the American Chemical Society 133 (2011) 8455–8457.","chicago":"Boardman, Brycelyn M., Jonathan R. Widawsky, Young S. Park, Christine L. Schenck, Latha Venkataraman, Michael L. Steigerwald, and Colin Nuckolls. “Conductance of Single Cobalt Chalcogenide Cluster Junctions.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2011. <a href=\"https://doi.org/10.1021/ja201334s\">https://doi.org/10.1021/ja201334s</a>.","ieee":"B. M. Boardman <i>et al.</i>, “Conductance of single cobalt chalcogenide cluster junctions,” <i>Journal of the American Chemical Society</i>, vol. 133, no. 22. American Chemical Society, pp. 8455–8457, 2011.","ista":"Boardman BM, Widawsky JR, Park YS, Schenck CL, Venkataraman L, Steigerwald ML, Nuckolls C. 2011. Conductance of single cobalt chalcogenide cluster junctions. Journal of the American Chemical Society. 133(22), 8455–8457.","ama":"Boardman BM, Widawsky JR, Park YS, et al. Conductance of single cobalt chalcogenide cluster junctions. <i>Journal of the American Chemical Society</i>. 2011;133(22):8455-8457. doi:<a href=\"https://doi.org/10.1021/ja201334s\">10.1021/ja201334s</a>","apa":"Boardman, B. M., Widawsky, J. R., Park, Y. S., Schenck, C. L., Venkataraman, L., Steigerwald, M. L., &#38; Nuckolls, C. (2011). Conductance of single cobalt chalcogenide cluster junctions. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja201334s\">https://doi.org/10.1021/ja201334s</a>","mla":"Boardman, Brycelyn M., et al. “Conductance of Single Cobalt Chalcogenide Cluster Junctions.” <i>Journal of the American Chemical Society</i>, vol. 133, no. 22, American Chemical Society, 2011, pp. 8455–57, doi:<a href=\"https://doi.org/10.1021/ja201334s\">10.1021/ja201334s</a>."},"publisher":"American Chemical Society","intvolume":"       133","issue":"22","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"full_name":"Boardman, Brycelyn M.","last_name":"Boardman","first_name":"Brycelyn M."},{"first_name":"Jonathan R.","last_name":"Widawsky","full_name":"Widawsky, Jonathan R."},{"last_name":"Park","first_name":"Young S.","full_name":"Park, Young S."},{"last_name":"Schenck","first_name":"Christine L.","full_name":"Schenck, Christine L."},{"orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","last_name":"Venkataraman","first_name":"Latha","full_name":"Venkataraman, Latha"},{"first_name":"Michael L.","last_name":"Steigerwald","full_name":"Steigerwald, Michael L."},{"full_name":"Nuckolls, Colin","last_name":"Nuckolls","first_name":"Colin"}],"date_created":"2024-09-09T12:35:04Z","abstract":[{"text":"Understanding the electrical properties of semiconducting quantum dot devices have been limited due to the variability of their size/composition and the chemistry of ligand/electrode binding. Furthermore, to probe their electrical conduction properties and its dependence on ligand/electrode binding, measurements must be carried out at the single dot/cluster level. Herein we report scanning tunneling microscope based break junction measurements of cobalt chalcogenide clusters with Te, Se and S to probe the conductance properties. Our measured conductance trends show that the Co–Te based clusters have the highest conductance while the Co-S clusters the lowest. These trends are in very good agreement with cyclic voltammetry measurements of the first oxidation potentials and with density functional theory calculations of their HOMO–LUMO gaps.","lang":"eng"}],"extern":"1","title":"Conductance of single cobalt chalcogenide cluster junctions","status":"public","_id":"18016","OA_type":"closed access","page":"8455-8457","publication_status":"published","pmid":1,"year":"2011","date_updated":"2025-01-03T09:38:32Z","oa_version":"None","scopus_import":"1"},{"date_updated":"2025-01-03T09:49:00Z","scopus_import":"1","oa_version":"None","page":"2136-2139","publication_status":"published","OA_type":"closed access","year":"2011","pmid":1,"extern":"1","abstract":[{"lang":"eng","text":"Understanding electron transport across π−π-stacked systems will help to answer fundamental questions about biochemical redox processes and benefit the design of new materials and molecular devices. Herein we employed the STM break-junction technique to measure the single-molecule conductance of multiple π−π-stacked aromatic rings. We studied electron transport through up to four stacked benzene rings held together in an eclipsed fashion via a paracyclophane scaffold. We found that the strained hydrocarbons studied herein couple directly to gold electrodes during the measurements; hence, we did not require any heteroatom binding groups as electrical contacts. Density functional theory-based calculations suggest that the gold atoms of the electrodes bind to two neighboring carbon atoms of the outermost cyclophane benzene rings in η2 fashion. Our measurements show an exponential decay of the conductance with an increasing number of stacked benzene rings, indicating a nonresonant tunneling mechanism. Furthermore, STM tip−substrate displacement data provide additional evidence that the electrodes bind to the outermost benzene rings of the π−π-stacked molecular wires."}],"date_created":"2024-09-09T12:57:08Z","_id":"18020","status":"public","title":"Single-molecule conductance through multiple π−π-stacked benzene rings determined with direct electrode-to-benzene ring connections","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"first_name":"Severin T.","last_name":"Schneebeli","full_name":"Schneebeli, Severin T."},{"full_name":"Kamenetska, Maria","first_name":"Maria","last_name":"Kamenetska"},{"first_name":"Zhanling","last_name":"Cheng","full_name":"Cheng, Zhanling"},{"first_name":"Rachid","last_name":"Skouta","full_name":"Skouta, Rachid"},{"full_name":"Friesner, Richard A.","first_name":"Richard A.","last_name":"Friesner"},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","first_name":"Latha","last_name":"Venkataraman"},{"full_name":"Breslow, Ronald","first_name":"Ronald","last_name":"Breslow"}],"date_published":"2011-01-25T00:00:00Z","day":"25","article_processing_charge":"No","issue":"7","intvolume":"       133","publisher":"American Chemical Society","citation":{"short":"S.T. Schneebeli, M. Kamenetska, Z. Cheng, R. Skouta, R.A. Friesner, L. Venkataraman, R. Breslow, Journal of the American Chemical Society 133 (2011) 2136–2139.","ama":"Schneebeli ST, Kamenetska M, Cheng Z, et al. Single-molecule conductance through multiple π−π-stacked benzene rings determined with direct electrode-to-benzene ring connections. <i>Journal of the American Chemical Society</i>. 2011;133(7):2136-2139. doi:<a href=\"https://doi.org/10.1021/ja111320n\">10.1021/ja111320n</a>","ieee":"S. T. Schneebeli <i>et al.</i>, “Single-molecule conductance through multiple π−π-stacked benzene rings determined with direct electrode-to-benzene ring connections,” <i>Journal of the American Chemical Society</i>, vol. 133, no. 7. American Chemical Society, pp. 2136–2139, 2011.","chicago":"Schneebeli, Severin T., Maria Kamenetska, Zhanling Cheng, Rachid Skouta, Richard A. Friesner, Latha Venkataraman, and Ronald Breslow. “Single-Molecule Conductance through Multiple Π−π-Stacked Benzene Rings Determined with Direct Electrode-to-Benzene Ring Connections.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2011. <a href=\"https://doi.org/10.1021/ja111320n\">https://doi.org/10.1021/ja111320n</a>.","ista":"Schneebeli ST, Kamenetska M, Cheng Z, Skouta R, Friesner RA, Venkataraman L, Breslow R. 2011. Single-molecule conductance through multiple π−π-stacked benzene rings determined with direct electrode-to-benzene ring connections. Journal of the American Chemical Society. 133(7), 2136–2139.","mla":"Schneebeli, Severin T., et al. “Single-Molecule Conductance through Multiple Π−π-Stacked Benzene Rings Determined with Direct Electrode-to-Benzene Ring Connections.” <i>Journal of the American Chemical Society</i>, vol. 133, no. 7, American Chemical Society, 2011, pp. 2136–39, doi:<a href=\"https://doi.org/10.1021/ja111320n\">10.1021/ja111320n</a>.","apa":"Schneebeli, S. T., Kamenetska, M., Cheng, Z., Skouta, R., Friesner, R. A., Venkataraman, L., &#38; Breslow, R. (2011). Single-molecule conductance through multiple π−π-stacked benzene rings determined with direct electrode-to-benzene ring connections. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja111320n\">https://doi.org/10.1021/ja111320n</a>"},"doi":"10.1021/ja111320n","volume":133,"type":"journal_article","external_id":{"pmid":["21265533"]},"article_type":"letter_note","quality_controlled":"1","month":"01","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]}},{"date_published":"2010-03-31T00:00:00Z","day":"31","article_processing_charge":"No","publisher":"American Chemical Society","citation":{"apa":"Coskun, A., Wesson, P. J., Klajn, R., Trabolsi, A., Fang, L., Olson, M. A., … Stoddart, J. F. (2010). Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja9102327\">https://doi.org/10.1021/ja9102327</a>","mla":"Coskun, Ali, et al. “Molecular-Mechanical Switching at the Nanoparticle−solvent Interface: Practice and Theory.” <i>Journal of the American Chemical Society</i>, vol. 132, no. 12, American Chemical Society, 2010, pp. 4310–20, doi:<a href=\"https://doi.org/10.1021/ja9102327\">10.1021/ja9102327</a>.","short":"A. Coskun, P.J. Wesson, R. Klajn, A. Trabolsi, L. Fang, M.A. Olson, S.K. Dey, B.A. Grzybowski, J.F. Stoddart, Journal of the American Chemical Society 132 (2010) 4310–4320.","chicago":"Coskun, Ali, Paul J. Wesson, Rafal Klajn, Ali Trabolsi, Lei Fang, Mark A. Olson, Sanjeev K. Dey, Bartosz A. Grzybowski, and J. Fraser Stoddart. “Molecular-Mechanical Switching at the Nanoparticle−solvent Interface: Practice and Theory.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2010. <a href=\"https://doi.org/10.1021/ja9102327\">https://doi.org/10.1021/ja9102327</a>.","ista":"Coskun A, Wesson PJ, Klajn R, Trabolsi A, Fang L, Olson MA, Dey SK, Grzybowski BA, Stoddart JF. 2010. Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory. Journal of the American Chemical Society. 132(12), 4310–4320.","ieee":"A. Coskun <i>et al.</i>, “Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory,” <i>Journal of the American Chemical Society</i>, vol. 132, no. 12. American Chemical Society, pp. 4310–4320, 2010.","ama":"Coskun A, Wesson PJ, Klajn R, et al. Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory. <i>Journal of the American Chemical Society</i>. 2010;132(12):4310-4320. doi:<a href=\"https://doi.org/10.1021/ja9102327\">10.1021/ja9102327</a>"},"issue":"12","intvolume":"       132","publication":"Journal of the American Chemical Society","language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"author":[{"full_name":"Coskun, Ali","last_name":"Coskun","first_name":"Ali"},{"last_name":"Wesson","first_name":"Paul J.","full_name":"Wesson, Paul J."},{"full_name":"Klajn, Rafal","first_name":"Rafal","last_name":"Klajn","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b"},{"full_name":"Trabolsi, Ali","first_name":"Ali","last_name":"Trabolsi"},{"last_name":"Fang","first_name":"Lei","full_name":"Fang, Lei"},{"full_name":"Olson, Mark A.","first_name":"Mark A.","last_name":"Olson"},{"first_name":"Sanjeev K.","last_name":"Dey","full_name":"Dey, Sanjeev K."},{"full_name":"Grzybowski, Bartosz A.","first_name":"Bartosz A.","last_name":"Grzybowski"},{"full_name":"Stoddart, J. Fraser","last_name":"Stoddart","first_name":"J. Fraser"}],"quality_controlled":"1","month":"03","article_type":"original","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"doi":"10.1021/ja9102327","volume":132,"type":"journal_article","external_id":{"pmid":["20218598"]},"publication_status":"published","page":"4310-4320","pmid":1,"year":"2010","date_updated":"2023-08-08T08:00:31Z","oa_version":"None","scopus_import":"1","abstract":[{"lang":"eng","text":"A range (Au, Pt, Pd) of metal nanoparticles (MNPs) has been prepared and functionalized with (a) redox-active stalks containing tetrathiafulvalene (TTF) units, (b) [2]pseudorotaxanes formed between these stalks and cyclobis(paraquat-p-phenylene) (CBPQT4+) rings, and (c) bistable [2]rotaxane molecules where the dumbbell component contains a 1,5-dioxynaphthalene (DNP) unit, as well as a TTF unit, encircled by a CBPQT4+ ring. It transpires that the molecules present in (a) and (c) and the supermolecules described in (b) retain their switching characteristics, previously observed in solution, when they are immobilized onto MNPs. Moreover, their oxidation potentials depend on the fraction, χ, of the molecules or supermolecules on the surface of the nanoparticles. A variation in χ affects the oxidation potentials of the TTF units to the extent that switching can be subjected to fine tuning as a result. Specifically, increasing χ results in positive shifts (i) in the oxidation potentials of the TTF unit in (a)−(c) and (ii) the reduction potentials of the CBPQT4+ rings in (c). These shifts can be attributed to an increase in the electrostatic potential surrounding the MNPs. Both the magnitude and the direction of these shifts are reproduced by a model, based on the Poisson−Boltzmann equation coupled with charge-regulating boundary conditions. Furthermore, the kinetics of relaxation from the metastable state coconformation (MSCC) to the ground-state coconformation (GSCC) of the bistable [2]rotaxane molecules also depends on χ, as well as on the nanoparticle diameter. Increasing either of these parameters accelerates the rate of relaxation from the MSCC to the GSCC. This rate is a function of (i) the activation energy for the relaxation process associated with the bistable [2]rotaxane molecules in solution and (ii) the electrostatic potential surrounding the MNPs. The electrostatic potential depends on (i) the diameter of the MNPs, (ii) the amount of the bistable [2]rotaxane molecules on the surface of the MNPs, and (iii) the equilibrium distribution of the CBPQT4+ rings between the DNP and TTF recognition sites in the GSCC. This electrostatic potential has also been quantified using the Poisson−Boltzmann equation, leading to faithful estimates of the rate constants."}],"date_created":"2023-08-01T09:48:27Z","extern":"1","title":"Molecular-mechanical switching at the nanoparticle−solvent interface: Practice and theory","_id":"13410","status":"public"},{"_id":"8472","status":"public","publication_identifier":{"issn":["0002-7863","1520-5126"]},"title":"Quantitative analysis of protein backbone dynamics in microcrystalline ubiquitin by solid-state NMR spectroscopy","extern":"1","article_type":"original","date_created":"2020-09-18T10:11:13Z","month":"10","quality_controlled":"1","abstract":[{"lang":"eng","text":"Characterization of protein dynamics by solid-state NMR spectroscopy requires robust and accurate measurement protocols, which are not yet fully developed. In this study, we investigate the backbone dynamics of microcrystalline ubiquitin using different approaches. A rotational-echo double-resonance type (REDOR-type) methodology allows one to accurately measure 1H−15N order parameters in highly deuterated samples. We show that the systematic errors in the REDOR experiment are as low as 1% or even less, giving access to accurate data for the amplitudes of backbone mobility. Combining such dipolar-coupling-derived order parameters with autocorrelated and cross-correlated 15N relaxation rates, we are able to quantitate amplitudes and correlation times of backbone dynamics on picosecond and nanosecond time scales in a residue-resolved manner. While the mobility on picosecond time scales appears to have rather uniform amplitude throughout the protein, we unambiguously identify and quantitate nanosecond mobility with order parameters S2 as low as 0.8 in some regions of the protein, where nanosecond dynamics has also been revealed in solution state. The methodology used here, a combination of accurate dipolar-coupling measurements and different relaxation parameters, yields details about dynamics on different time scales and can be applied to solid protein samples such as amyloid fibrils or membrane proteins."}],"type":"journal_article","volume":132,"doi":"10.1021/ja100726a","intvolume":"       132","year":"2010","issue":"45","citation":{"ama":"Schanda P, Meier BH, Ernst M. Quantitative analysis of protein backbone dynamics in microcrystalline ubiquitin by solid-state NMR spectroscopy. <i>Journal of the American Chemical Society</i>. 2010;132(45):15957-15967. doi:<a href=\"https://doi.org/10.1021/ja100726a\">10.1021/ja100726a</a>","ieee":"P. Schanda, B. H. Meier, and M. Ernst, “Quantitative analysis of protein backbone dynamics in microcrystalline ubiquitin by solid-state NMR spectroscopy,” <i>Journal of the American Chemical Society</i>, vol. 132, no. 45. American Chemical Society, pp. 15957–15967, 2010.","ista":"Schanda P, Meier BH, Ernst M. 2010. Quantitative analysis of protein backbone dynamics in microcrystalline ubiquitin by solid-state NMR spectroscopy. Journal of the American Chemical Society. 132(45), 15957–15967.","chicago":"Schanda, Paul, Beat H. Meier, and Matthias Ernst. “Quantitative Analysis of Protein Backbone Dynamics in Microcrystalline Ubiquitin by Solid-State NMR Spectroscopy.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2010. <a href=\"https://doi.org/10.1021/ja100726a\">https://doi.org/10.1021/ja100726a</a>.","short":"P. Schanda, B.H. Meier, M. Ernst, Journal of the American Chemical Society 132 (2010) 15957–15967.","mla":"Schanda, Paul, et al. “Quantitative Analysis of Protein Backbone Dynamics in Microcrystalline Ubiquitin by Solid-State NMR Spectroscopy.” <i>Journal of the American Chemical Society</i>, vol. 132, no. 45, American Chemical Society, 2010, pp. 15957–67, doi:<a href=\"https://doi.org/10.1021/ja100726a\">10.1021/ja100726a</a>.","apa":"Schanda, P., Meier, B. H., &#38; Ernst, M. (2010). Quantitative analysis of protein backbone dynamics in microcrystalline ubiquitin by solid-state NMR spectroscopy. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja100726a\">https://doi.org/10.1021/ja100726a</a>"},"publisher":"American Chemical Society","article_processing_charge":"No","day":"26","date_published":"2010-10-26T00:00:00Z","page":"15957-15967","publication_status":"published","oa_version":"None","author":[{"full_name":"Schanda, Paul","first_name":"Paul","last_name":"Schanda","id":"7B541462-FAF6-11E9-A490-E8DFE5697425","orcid":"0000-0002-9350-7606"},{"full_name":"Meier, Beat H.","last_name":"Meier","first_name":"Beat H."},{"first_name":"Matthias","last_name":"Ernst","full_name":"Ernst, Matthias"}],"language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication":"Journal of the American Chemical Society","date_updated":"2021-01-12T08:19:30Z"},{"date_updated":"2025-01-03T10:09:53Z","oa_version":"None","scopus_import":"1","OA_type":"closed access","page":"6817-6821","publication_status":"published","pmid":1,"year":"2010","date_created":"2024-09-09T13:46:26Z","abstract":[{"lang":"eng","text":"We have measured the conductance and characterized molecule−electrode binding geometries of four pyridine-terminated molecules by elongating and then compressing gold point contacts in a solution of molecules. We have found that all pyridine-terminated molecules exhibit bistable conductance signatures, signifying that the nature of the pyridine−gold bond allows two distinct conductance states that are accessed as the gold−molecule−gold junction is elongated. We have identified the low-conductance state as corresponding to a molecule fully stretched out between the gold electrodes, where the distance between contacts correlates with the length of the molecule; the high-conductance state is due to a molecule bound at an angle. For all molecules, we have found that the distribution of junction elongations in the low-conductance state is the same, while in the high-conductance state, the most likely elongation length increases linearly with molecule length. The results of first-principles conductance calculations for the four molecules in the low-conductance geometry agree well with the experimental results and show that the dominant conducting channel in the conjugated pyridine-linked molecules is through the π* orbital."}],"extern":"1","title":"Conductance and geometry of pyridine-linked single-molecule junctions","_id":"18027","status":"public","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"full_name":"Kamenetska, M.","last_name":"Kamenetska","first_name":"M."},{"last_name":"Quek","first_name":"Su Ying","full_name":"Quek, Su Ying"},{"last_name":"Whalley","first_name":"A. C.","full_name":"Whalley, A. C."},{"first_name":"M. L.","last_name":"Steigerwald","full_name":"Steigerwald, M. L."},{"full_name":"Choi, H. J.","first_name":"H. J.","last_name":"Choi"},{"first_name":"Steven G.","last_name":"Louie","full_name":"Louie, Steven G."},{"full_name":"Nuckolls, C.","last_name":"Nuckolls","first_name":"C."},{"first_name":"M. S.","last_name":"Hybertsen","full_name":"Hybertsen, M. S."},{"full_name":"Neaton, J. B.","first_name":"J. B.","last_name":"Neaton"},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","last_name":"Venkataraman","first_name":"Latha"}],"article_processing_charge":"No","day":"27","date_published":"2010-04-27T00:00:00Z","citation":{"mla":"Kamenetska, M., et al. “Conductance and Geometry of Pyridine-Linked Single-Molecule Junctions.” <i>Journal of the American Chemical Society</i>, vol. 132, no. 19, American Chemical Society, 2010, pp. 6817–21, doi:<a href=\"https://doi.org/10.1021/ja1015348\">10.1021/ja1015348</a>.","apa":"Kamenetska, M., Quek, S. Y., Whalley, A. C., Steigerwald, M. L., Choi, H. J., Louie, S. G., … Venkataraman, L. (2010). Conductance and geometry of pyridine-linked single-molecule junctions. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja1015348\">https://doi.org/10.1021/ja1015348</a>","short":"M. Kamenetska, S.Y. Quek, A.C. Whalley, M.L. Steigerwald, H.J. Choi, S.G. Louie, C. Nuckolls, M.S. Hybertsen, J.B. Neaton, L. Venkataraman, Journal of the American Chemical Society 132 (2010) 6817–6821.","ama":"Kamenetska M, Quek SY, Whalley AC, et al. Conductance and geometry of pyridine-linked single-molecule junctions. <i>Journal of the American Chemical Society</i>. 2010;132(19):6817-6821. doi:<a href=\"https://doi.org/10.1021/ja1015348\">10.1021/ja1015348</a>","chicago":"Kamenetska, M., Su Ying Quek, A. C. Whalley, M. L. Steigerwald, H. J. Choi, Steven G. Louie, C. Nuckolls, M. S. Hybertsen, J. B. Neaton, and Latha Venkataraman. “Conductance and Geometry of Pyridine-Linked Single-Molecule Junctions.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2010. <a href=\"https://doi.org/10.1021/ja1015348\">https://doi.org/10.1021/ja1015348</a>.","ieee":"M. Kamenetska <i>et al.</i>, “Conductance and geometry of pyridine-linked single-molecule junctions,” <i>Journal of the American Chemical Society</i>, vol. 132, no. 19. American Chemical Society, pp. 6817–6821, 2010.","ista":"Kamenetska M, Quek SY, Whalley AC, Steigerwald ML, Choi HJ, Louie SG, Nuckolls C, Hybertsen MS, Neaton JB, Venkataraman L. 2010. Conductance and geometry of pyridine-linked single-molecule junctions. Journal of the American Chemical Society. 132(19), 6817–6821."},"publisher":"American Chemical Society","intvolume":"       132","issue":"19","volume":132,"doi":"10.1021/ja1015348","external_id":{"pmid":["20423080"]},"type":"journal_article","month":"04","quality_controlled":"1","article_type":"original","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]}},{"volume":131,"doi":"10.1021/ja9001585","external_id":{"pmid":["19265400"]},"type":"journal_article","month":"04","quality_controlled":"1","article_type":"original","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication":"Journal of the American Chemical Society","language":[{"iso":"eng"}],"keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"author":[{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","last_name":"Klajn","first_name":"Rafal","full_name":"Klajn, Rafal"},{"first_name":"Lei","last_name":"Fang","full_name":"Fang, Lei"},{"full_name":"Coskun, Ali","first_name":"Ali","last_name":"Coskun"},{"last_name":"Olson","first_name":"Mark A.","full_name":"Olson, Mark A."},{"last_name":"Wesson","first_name":"Paul J.","full_name":"Wesson, Paul J."},{"last_name":"Stoddart","first_name":"J. Fraser","full_name":"Stoddart, J. Fraser"},{"full_name":"Grzybowski, Bartosz A.","last_name":"Grzybowski","first_name":"Bartosz A."}],"article_processing_charge":"No","date_published":"2009-04-01T00:00:00Z","day":"01","citation":{"ama":"Klajn R, Fang L, Coskun A, et al. Metal nanoparticles functionalized with molecular and supramolecular switches. <i>Journal of the American Chemical Society</i>. 2009;131(12):4233-4235. doi:<a href=\"https://doi.org/10.1021/ja9001585\">10.1021/ja9001585</a>","ieee":"R. Klajn <i>et al.</i>, “Metal nanoparticles functionalized with molecular and supramolecular switches,” <i>Journal of the American Chemical Society</i>, vol. 131, no. 12. American Chemical Society, pp. 4233–4235, 2009.","chicago":"Klajn, Rafal, Lei Fang, Ali Coskun, Mark A. Olson, Paul J. Wesson, J. Fraser Stoddart, and Bartosz A. Grzybowski. “Metal Nanoparticles Functionalized with Molecular and Supramolecular Switches.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2009. <a href=\"https://doi.org/10.1021/ja9001585\">https://doi.org/10.1021/ja9001585</a>.","ista":"Klajn R, Fang L, Coskun A, Olson MA, Wesson PJ, Stoddart JF, Grzybowski BA. 2009. Metal nanoparticles functionalized with molecular and supramolecular switches. Journal of the American Chemical Society. 131(12), 4233–4235.","short":"R. Klajn, L. Fang, A. Coskun, M.A. Olson, P.J. Wesson, J.F. Stoddart, B.A. Grzybowski, Journal of the American Chemical Society 131 (2009) 4233–4235.","mla":"Klajn, Rafal, et al. “Metal Nanoparticles Functionalized with Molecular and Supramolecular Switches.” <i>Journal of the American Chemical Society</i>, vol. 131, no. 12, American Chemical Society, 2009, pp. 4233–35, doi:<a href=\"https://doi.org/10.1021/ja9001585\">10.1021/ja9001585</a>.","apa":"Klajn, R., Fang, L., Coskun, A., Olson, M. A., Wesson, P. J., Stoddart, J. F., &#38; Grzybowski, B. A. (2009). Metal nanoparticles functionalized with molecular and supramolecular switches. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja9001585\">https://doi.org/10.1021/ja9001585</a>"},"publisher":"American Chemical Society","intvolume":"       131","issue":"12","date_created":"2023-08-01T10:30:17Z","abstract":[{"lang":"eng","text":"Weakly protected metal nanoparticles (MNPs) are used as precursors for the preparation of catenane- and pseudorotaxane-decorated NPs of various compositions (gold, palladium, platinum). When attached to the surface of MNPs, the molecular switches retain their switching abilities. The redox potentials of these switches depend on and can be regulated by the composition of the mixed self-assembled monolayers covering the MNPs."}],"extern":"1","title":"Metal nanoparticles functionalized with molecular and supramolecular switches","status":"public","_id":"13420","date_updated":"2023-08-08T09:06:00Z","oa_version":"None","scopus_import":"1","publication_status":"published","page":"4233-4235","pmid":1,"year":"2009"},{"date_updated":"2021-01-12T08:19:32Z","publication":"Journal of the American Chemical Society","language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"full_name":"Farjon, Jonathan","first_name":"Jonathan","last_name":"Farjon"},{"full_name":"Boisbouvier, Jérôme","last_name":"Boisbouvier","first_name":"Jérôme"},{"orcid":"0000-0002-9350-7606","id":"7B541462-FAF6-11E9-A490-E8DFE5697425","first_name":"Paul","last_name":"Schanda","full_name":"Schanda, Paul"},{"first_name":"Arthur","last_name":"Pardi","full_name":"Pardi, Arthur"},{"last_name":"Simorre","first_name":"Jean-Pierre","full_name":"Simorre, Jean-Pierre"},{"first_name":"Bernhard","last_name":"Brutscher","full_name":"Brutscher, Bernhard"}],"oa_version":"None","date_published":"2009-06-01T00:00:00Z","day":"01","article_processing_charge":"No","publication_status":"published","page":"8571-8577","issue":"24","year":"2009","intvolume":"       131","publisher":"American Chemical Society","citation":{"mla":"Farjon, Jonathan, et al. “Longitudinal-Relaxation-Enhanced NMR Experiments for the Study of Nucleic Acids in Solution.” <i>Journal of the American Chemical Society</i>, vol. 131, no. 24, American Chemical Society, 2009, pp. 8571–77, doi:<a href=\"https://doi.org/10.1021/ja901633y\">10.1021/ja901633y</a>.","apa":"Farjon, J., Boisbouvier, J., Schanda, P., Pardi, A., Simorre, J.-P., &#38; Brutscher, B. (2009). Longitudinal-relaxation-enhanced NMR experiments for the study of nucleic acids in solution. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja901633y\">https://doi.org/10.1021/ja901633y</a>","ama":"Farjon J, Boisbouvier J, Schanda P, Pardi A, Simorre J-P, Brutscher B. Longitudinal-relaxation-enhanced NMR experiments for the study of nucleic acids in solution. <i>Journal of the American Chemical Society</i>. 2009;131(24):8571-8577. doi:<a href=\"https://doi.org/10.1021/ja901633y\">10.1021/ja901633y</a>","chicago":"Farjon, Jonathan, Jérôme Boisbouvier, Paul Schanda, Arthur Pardi, Jean-Pierre Simorre, and Bernhard Brutscher. “Longitudinal-Relaxation-Enhanced NMR Experiments for the Study of Nucleic Acids in Solution.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2009. <a href=\"https://doi.org/10.1021/ja901633y\">https://doi.org/10.1021/ja901633y</a>.","ista":"Farjon J, Boisbouvier J, Schanda P, Pardi A, Simorre J-P, Brutscher B. 2009. Longitudinal-relaxation-enhanced NMR experiments for the study of nucleic acids in solution. Journal of the American Chemical Society. 131(24), 8571–8577.","ieee":"J. Farjon, J. Boisbouvier, P. Schanda, A. Pardi, J.-P. Simorre, and B. Brutscher, “Longitudinal-relaxation-enhanced NMR experiments for the study of nucleic acids in solution,” <i>Journal of the American Chemical Society</i>, vol. 131, no. 24. American Chemical Society, pp. 8571–8577, 2009.","short":"J. Farjon, J. Boisbouvier, P. Schanda, A. Pardi, J.-P. Simorre, B. Brutscher, Journal of the American Chemical Society 131 (2009) 8571–8577."},"doi":"10.1021/ja901633y","volume":131,"type":"journal_article","article_type":"original","extern":"1","quality_controlled":"1","abstract":[{"lang":"eng","text":"Atomic-resolution information on the structure and dynamics of nucleic acids is essential for a better understanding of the mechanistic basis of many cellular processes. NMR spectroscopy is a powerful method for studying the structure and dynamics of nucleic acids; however, solution NMR studies are currently limited to relatively small nucleic acids at high concentrations. Thus, technological and methodological improvements that increase the experimental sensitivity and spectral resolution of NMR spectroscopy are required for studies of larger nucleic acids or protein−nucleic acid complexes. Here we introduce a series of imino-proton-detected NMR experiments that yield an over 2-fold increase in sensitivity compared to conventional pulse schemes. These methods can be applied to the detection of base pair interactions, RNA−ligand titration experiments, measurement of residual dipolar 15N−1H couplings, and direct measurements of conformational transitions. These NMR experiments employ longitudinal spin relaxation enhancement techniques that have proven useful in protein NMR spectroscopy. The performance of these new experiments is demonstrated for a 10 kDa TAR-TAR*GA RNA kissing complex and a 26 kDa tRNA."}],"month":"06","date_created":"2020-09-18T10:11:49Z","status":"public","_id":"8476","title":"Longitudinal-relaxation-enhanced NMR experiments for the study of nucleic acids in solution","publication_identifier":{"issn":["0002-7863","1520-5126"]}},{"extern":"1","article_type":"original","date_created":"2020-09-18T10:12:01Z","month":"02","quality_controlled":"1","abstract":[{"text":"An optimized NMR experiment that combines the advantages of methyl-TROSY and SOFAST-HMQC has been developed. It allows the recording of high quality methyl 1H−13C correlation spectra of protein assemblies of several hundreds of kDa in a few seconds. The SOFAST-methyl-TROSY-based experiment offers completely new opportunities for the study of structural and dynamic changes occurring in molecular nanomachines while they perform their biological function in vitro.","lang":"eng"}],"status":"public","_id":"8477","title":"Fast two-dimensional NMR spectroscopy of high molecular weight protein assemblies","publication_identifier":{"issn":["0002-7863","1520-5126"]},"volume":131,"doi":"10.1021/ja809880p","type":"journal_article","article_processing_charge":"No","date_published":"2009-02-25T00:00:00Z","day":"25","publication_status":"published","page":"3448-3449","intvolume":"       131","issue":"10","year":"2009","citation":{"apa":"Amero, C., Schanda, P., Durá, M. A., Ayala, I., Marion, D., Franzetti, B., … Boisbouvier, J. (2009). Fast two-dimensional NMR spectroscopy of high molecular weight protein assemblies. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja809880p\">https://doi.org/10.1021/ja809880p</a>","mla":"Amero, Carlos, et al. “Fast Two-Dimensional NMR Spectroscopy of High Molecular Weight Protein Assemblies.” <i>Journal of the American Chemical Society</i>, vol. 131, no. 10, American Chemical Society, 2009, pp. 3448–49, doi:<a href=\"https://doi.org/10.1021/ja809880p\">10.1021/ja809880p</a>.","ieee":"C. Amero <i>et al.</i>, “Fast two-dimensional NMR spectroscopy of high molecular weight protein assemblies,” <i>Journal of the American Chemical Society</i>, vol. 131, no. 10. American Chemical Society, pp. 3448–3449, 2009.","chicago":"Amero, Carlos, Paul Schanda, M. Asunción Durá, Isabel Ayala, Dominique Marion, Bruno Franzetti, Bernhard Brutscher, and Jérôme Boisbouvier. “Fast Two-Dimensional NMR Spectroscopy of High Molecular Weight Protein Assemblies.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2009. <a href=\"https://doi.org/10.1021/ja809880p\">https://doi.org/10.1021/ja809880p</a>.","ista":"Amero C, Schanda P, Durá MA, Ayala I, Marion D, Franzetti B, Brutscher B, Boisbouvier J. 2009. Fast two-dimensional NMR spectroscopy of high molecular weight protein assemblies. Journal of the American Chemical Society. 131(10), 3448–3449.","ama":"Amero C, Schanda P, Durá MA, et al. Fast two-dimensional NMR spectroscopy of high molecular weight protein assemblies. <i>Journal of the American Chemical Society</i>. 2009;131(10):3448-3449. doi:<a href=\"https://doi.org/10.1021/ja809880p\">10.1021/ja809880p</a>","short":"C. Amero, P. Schanda, M.A. Durá, I. Ayala, D. Marion, B. Franzetti, B. Brutscher, J. Boisbouvier, Journal of the American Chemical Society 131 (2009) 3448–3449."},"publisher":"American Chemical Society","publication":"Journal of the American Chemical Society","date_updated":"2021-01-12T08:19:32Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"oa_version":"None","author":[{"full_name":"Amero, Carlos","last_name":"Amero","first_name":"Carlos"},{"last_name":"Schanda","first_name":"Paul","full_name":"Schanda, Paul","orcid":"0000-0002-9350-7606","id":"7B541462-FAF6-11E9-A490-E8DFE5697425"},{"last_name":"Durá","first_name":"M. Asunción","full_name":"Durá, M. Asunción"},{"full_name":"Ayala, Isabel","last_name":"Ayala","first_name":"Isabel"},{"full_name":"Marion, Dominique","last_name":"Marion","first_name":"Dominique"},{"last_name":"Franzetti","first_name":"Bruno","full_name":"Franzetti, Bruno"},{"last_name":"Brutscher","first_name":"Bernhard","full_name":"Brutscher, Bernhard"},{"first_name":"Jérôme","last_name":"Boisbouvier","full_name":"Boisbouvier, Jérôme"}]},{"publication":"Journal of the American Chemical Society","date_updated":"2021-01-12T08:19:33Z","language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"None","author":[{"full_name":"Brüschweiler, Sven","last_name":"Brüschweiler","first_name":"Sven"},{"full_name":"Schanda, Paul","last_name":"Schanda","first_name":"Paul","id":"7B541462-FAF6-11E9-A490-E8DFE5697425","orcid":"0000-0002-9350-7606"},{"last_name":"Kloiber","first_name":"Karin","full_name":"Kloiber, Karin"},{"last_name":"Brutscher","first_name":"Bernhard","full_name":"Brutscher, Bernhard"},{"last_name":"Kontaxis","first_name":"Georg","full_name":"Kontaxis, Georg"},{"full_name":"Konrat, Robert","last_name":"Konrat","first_name":"Robert"},{"first_name":"Martin","last_name":"Tollinger","full_name":"Tollinger, Martin"}],"article_processing_charge":"No","date_published":"2009-02-09T00:00:00Z","day":"09","publication_status":"published","page":"3063-3068","intvolume":"       131","year":"2009","issue":"8","citation":{"ieee":"S. Brüschweiler <i>et al.</i>, “Direct observation of the dynamic process underlying allosteric signal transmission,” <i>Journal of the American Chemical Society</i>, vol. 131, no. 8. American Chemical Society, pp. 3063–3068, 2009.","chicago":"Brüschweiler, Sven, Paul Schanda, Karin Kloiber, Bernhard Brutscher, Georg Kontaxis, Robert Konrat, and Martin Tollinger. “Direct Observation of the Dynamic Process Underlying Allosteric Signal Transmission.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2009. <a href=\"https://doi.org/10.1021/ja809947w\">https://doi.org/10.1021/ja809947w</a>.","ista":"Brüschweiler S, Schanda P, Kloiber K, Brutscher B, Kontaxis G, Konrat R, Tollinger M. 2009. Direct observation of the dynamic process underlying allosteric signal transmission. Journal of the American Chemical Society. 131(8), 3063–3068.","ama":"Brüschweiler S, Schanda P, Kloiber K, et al. Direct observation of the dynamic process underlying allosteric signal transmission. <i>Journal of the American Chemical Society</i>. 2009;131(8):3063-3068. doi:<a href=\"https://doi.org/10.1021/ja809947w\">10.1021/ja809947w</a>","short":"S. Brüschweiler, P. Schanda, K. Kloiber, B. Brutscher, G. Kontaxis, R. Konrat, M. Tollinger, Journal of the American Chemical Society 131 (2009) 3063–3068.","apa":"Brüschweiler, S., Schanda, P., Kloiber, K., Brutscher, B., Kontaxis, G., Konrat, R., &#38; Tollinger, M. (2009). Direct observation of the dynamic process underlying allosteric signal transmission. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja809947w\">https://doi.org/10.1021/ja809947w</a>","mla":"Brüschweiler, Sven, et al. “Direct Observation of the Dynamic Process Underlying Allosteric Signal Transmission.” <i>Journal of the American Chemical Society</i>, vol. 131, no. 8, American Chemical Society, 2009, pp. 3063–68, doi:<a href=\"https://doi.org/10.1021/ja809947w\">10.1021/ja809947w</a>."},"publisher":"American Chemical Society","volume":131,"doi":"10.1021/ja809947w","type":"journal_article","extern":"1","article_type":"original","month":"02","date_created":"2020-09-18T10:12:14Z","quality_controlled":"1","abstract":[{"lang":"eng","text":"Allosteric regulation is an effective mechanism of control in biological processes. In allosteric proteins a signal originating at one site in the molecule is communicated through the protein structure to trigger a specific response at a remote site. Using NMR relaxation dispersion techniques we directly observe the dynamic process through which the KIX domain of CREB binding protein communicates allosteric information between binding sites. KIX mediates cooperativity between pairs of transcription factors through binding to two distinct interaction surfaces in an allosteric manner. We show that binding the activation domain of the mixed lineage leukemia (MLL) transcription factor to KIX induces a redistribution of the relative populations of KIX conformations toward a high-energy state in which the allosterically activated second binding site is already preformed, consistent with the Monod−Wyman−Changeux (WMC) model of allostery. The structural rearrangement process that links the two conformers and by which allosteric information is communicated occurs with a time constant of 3 ms at 27 °C. Our dynamic NMR data reveal that an evolutionarily conserved network of hydrophobic amino acids constitutes the pathway through which information is transmitted."}],"status":"public","_id":"8478","publication_identifier":{"issn":["0002-7863","1520-5126"]},"title":"Direct observation of the dynamic process underlying allosteric signal transmission"},{"title":"Frustrated rotations in single-molecule junctions","status":"public","_id":"18029","date_created":"2024-09-09T13:51:45Z","abstract":[{"text":"We compare the conductance of 1,4-bis(methylthio)benzene with that of 2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b′]dithiophene and the conductance of 1,4-bis(methylseleno)benzene with that of 2,3,6,7-tetrahydrobenzo[1,2-b:4,5-b′]diselenophene and show explicitly that the orientation of an Au−S or Au−Se bond relative to the aromatic π system controls electron transport through conjugated molecules. Specifically, we have found that the conduction pathway connects the Au electrodes to the aromatic π-system via the chalcogen p lone pairs, and greater overlaps among these components lead to higher conductivity through the molecular junction.","lang":"eng"}],"extern":"1","pmid":1,"year":"2009","OA_type":"closed access","publication_status":"published","page":"10820-10821","oa_version":"None","scopus_import":"1","date_updated":"2025-01-03T10:14:29Z","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"month":"07","quality_controlled":"1","article_type":"letter_note","external_id":{"pmid":["19722660"]},"type":"journal_article","volume":131,"doi":"10.1021/ja903731m","citation":{"apa":"Park, Y. S., Widawsky, J. R., Kamenetska, M., Steigerwald, M. L., Hybertsen, M. S., Nuckolls, C., &#38; Venkataraman, L. (2009). Frustrated rotations in single-molecule junctions. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja903731m\">https://doi.org/10.1021/ja903731m</a>","mla":"Park, Young S., et al. “Frustrated Rotations in Single-Molecule Junctions.” <i>Journal of the American Chemical Society</i>, vol. 131, no. 31, American Chemical Society, 2009, pp. 10820–21, doi:<a href=\"https://doi.org/10.1021/ja903731m\">10.1021/ja903731m</a>.","ieee":"Y. S. Park <i>et al.</i>, “Frustrated rotations in single-molecule junctions,” <i>Journal of the American Chemical Society</i>, vol. 131, no. 31. American Chemical Society, pp. 10820–10821, 2009.","ista":"Park YS, Widawsky JR, Kamenetska M, Steigerwald ML, Hybertsen MS, Nuckolls C, Venkataraman L. 2009. Frustrated rotations in single-molecule junctions. Journal of the American Chemical Society. 131(31), 10820–10821.","chicago":"Park, Young S., Jonathan R. Widawsky, Maria Kamenetska, Michael L. Steigerwald, Mark S. Hybertsen, Colin Nuckolls, and Latha Venkataraman. “Frustrated Rotations in Single-Molecule Junctions.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2009. <a href=\"https://doi.org/10.1021/ja903731m\">https://doi.org/10.1021/ja903731m</a>.","ama":"Park YS, Widawsky JR, Kamenetska M, et al. Frustrated rotations in single-molecule junctions. <i>Journal of the American Chemical Society</i>. 2009;131(31):10820-10821. doi:<a href=\"https://doi.org/10.1021/ja903731m\">10.1021/ja903731m</a>","short":"Y.S. Park, J.R. Widawsky, M. Kamenetska, M.L. Steigerwald, M.S. Hybertsen, C. Nuckolls, L. Venkataraman, Journal of the American Chemical Society 131 (2009) 10820–10821."},"publisher":"American Chemical Society","intvolume":"       131","issue":"31","article_processing_charge":"No","date_published":"2009-07-17T00:00:00Z","day":"17","author":[{"full_name":"Park, Young S.","last_name":"Park","first_name":"Young S."},{"last_name":"Widawsky","first_name":"Jonathan R.","full_name":"Widawsky, Jonathan R."},{"last_name":"Kamenetska","first_name":"Maria","full_name":"Kamenetska, Maria"},{"full_name":"Steigerwald, Michael L.","last_name":"Steigerwald","first_name":"Michael L."},{"first_name":"Mark S.","last_name":"Hybertsen","full_name":"Hybertsen, Mark S."},{"full_name":"Nuckolls, Colin","last_name":"Nuckolls","first_name":"Colin"},{"first_name":"Latha","last_name":"Venkataraman","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"}],"language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication":"Journal of the American Chemical Society"},{"oa_version":"None","author":[{"first_name":"Ewen","last_name":"Lescop","full_name":"Lescop, Ewen"},{"last_name":"Schanda","first_name":"Paul","full_name":"Schanda, Paul","orcid":"0000-0002-9350-7606","id":"7B541462-FAF6-11E9-A490-E8DFE5697425"},{"last_name":"Rasia","first_name":"Rodolfo","full_name":"Rasia, Rodolfo"},{"full_name":"Brutscher, Bernhard","last_name":"Brutscher","first_name":"Bernhard"}],"date_updated":"2021-01-12T08:19:36Z","publication":"Journal of the American Chemical Society","language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"citation":{"short":"E. Lescop, P. Schanda, R. Rasia, B. Brutscher, Journal of the American Chemical Society 129 (2007) 2756–2757.","ieee":"E. Lescop, P. Schanda, R. Rasia, and B. Brutscher, “Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy,” <i>Journal of the American Chemical Society</i>, vol. 129, no. 10. American Chemical Society, pp. 2756–2757, 2007.","ista":"Lescop E, Schanda P, Rasia R, Brutscher B. 2007. Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy. Journal of the American Chemical Society. 129(10), 2756–2757.","chicago":"Lescop, Ewen, Paul Schanda, Rodolfo Rasia, and Bernhard Brutscher. “Automated Spectral Compression for Fast Multidimensional NMR and Increased Time Resolution in Real-Time NMR Spectroscopy.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2007. <a href=\"https://doi.org/10.1021/ja068949u\">https://doi.org/10.1021/ja068949u</a>.","ama":"Lescop E, Schanda P, Rasia R, Brutscher B. Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy. <i>Journal of the American Chemical Society</i>. 2007;129(10):2756-2757. doi:<a href=\"https://doi.org/10.1021/ja068949u\">10.1021/ja068949u</a>","apa":"Lescop, E., Schanda, P., Rasia, R., &#38; Brutscher, B. (2007). Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja068949u\">https://doi.org/10.1021/ja068949u</a>","mla":"Lescop, Ewen, et al. “Automated Spectral Compression for Fast Multidimensional NMR and Increased Time Resolution in Real-Time NMR Spectroscopy.” <i>Journal of the American Chemical Society</i>, vol. 129, no. 10, American Chemical Society, 2007, pp. 2756–57, doi:<a href=\"https://doi.org/10.1021/ja068949u\">10.1021/ja068949u</a>."},"publisher":"American Chemical Society","intvolume":"       129","year":"2007","issue":"10","publication_status":"published","page":"2756-2757","article_processing_charge":"No","day":"17","date_published":"2007-02-17T00:00:00Z","type":"journal_article","volume":129,"doi":"10.1021/ja068949u","publication_identifier":{"issn":["0002-7863","1520-5126"]},"title":"Automated spectral compression for fast multidimensional NMR and increased time resolution in real-time NMR spectroscopy","_id":"8486","status":"public","date_created":"2020-09-18T10:13:21Z","month":"02","abstract":[{"text":"A technique is described that allows reducing acquisition times of multidimensional NMR experiments by extensive spectral folding. The method is simple and has many interesting applications for NMR studies of molecular structure, dynamics, and kinetics.","lang":"eng"}],"quality_controlled":"1","extern":"1","article_type":"original"},{"publication_identifier":{"issn":["0002-7863","1520-5126"]},"title":"UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates","_id":"8487","status":"public","month":"01","date_created":"2020-09-18T10:13:27Z","quality_controlled":"1","abstract":[{"text":"Following unidirectional biophysical events such as the folding of proteins or the equilibration of binding interactions, requires experimental methods that yield information at both atomic-level resolution and at high repetition rates. Toward this end a number of different approaches enabling the rapid acquisition of 2D NMR spectra have been recently introduced, including spatially encoded “ultrafast” 2D NMR spectroscopy and SOFAST HMQC NMR. Whereas the former accelerates acquisitions by reducing the number of scans that are necessary for completing arbitrary 2D NMR experiments, the latter operates by reducing the delay between consecutive scans while preserving sensitivity. Given the complementarities between these two approaches it seems natural to combine them into a single tool, enabling the acquisition of full 2D protein NMR spectra at high repetition rates. We demonstrate here this capability with the introduction of “ultraSOFAST” HMQC NMR, a spatially encoded and relaxation-optimized approach that can provide 2D protein correlation spectra at ∼1 s repetition rates for samples in the ∼2 mM concentration range. The principles, relative advantages, and current limitations of this new approach are discussed, and its application is exemplified with a study of the fast hydrogen−deuterium exchange characterizing amide sites in Ubiquitin.","lang":"eng"}],"extern":"1","article_type":"original","type":"journal_article","volume":129,"doi":"10.1021/ja066915g","citation":{"short":"M. Gal, P. Schanda, B. Brutscher, L. Frydman, Journal of the American Chemical Society 129 (2007) 1372–1377.","ista":"Gal M, Schanda P, Brutscher B, Frydman L. 2007. UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates. Journal of the American Chemical Society. 129(5), 1372–1377.","chicago":"Gal, Maayan, Paul Schanda, Bernhard Brutscher, and Lucio Frydman. “UltraSOFAST HMQC NMR and the Repetitive Acquisition of 2D Protein Spectra at Hz Rates.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2007. <a href=\"https://doi.org/10.1021/ja066915g\">https://doi.org/10.1021/ja066915g</a>.","ieee":"M. Gal, P. Schanda, B. Brutscher, and L. Frydman, “UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates,” <i>Journal of the American Chemical Society</i>, vol. 129, no. 5. American Chemical Society, pp. 1372–1377, 2007.","ama":"Gal M, Schanda P, Brutscher B, Frydman L. UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates. <i>Journal of the American Chemical Society</i>. 2007;129(5):1372-1377. doi:<a href=\"https://doi.org/10.1021/ja066915g\">10.1021/ja066915g</a>","apa":"Gal, M., Schanda, P., Brutscher, B., &#38; Frydman, L. (2007). UltraSOFAST HMQC NMR and the repetitive acquisition of 2D protein spectra at Hz rates. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/ja066915g\">https://doi.org/10.1021/ja066915g</a>","mla":"Gal, Maayan, et al. “UltraSOFAST HMQC NMR and the Repetitive Acquisition of 2D Protein Spectra at Hz Rates.” <i>Journal of the American Chemical Society</i>, vol. 129, no. 5, American Chemical Society, 2007, pp. 1372–77, doi:<a href=\"https://doi.org/10.1021/ja066915g\">10.1021/ja066915g</a>."},"publisher":"American Chemical Society","intvolume":"       129","year":"2007","issue":"5","page":"1372-1377","publication_status":"published","article_processing_charge":"No","day":"10","date_published":"2007-01-10T00:00:00Z","oa_version":"None","author":[{"full_name":"Gal, Maayan","first_name":"Maayan","last_name":"Gal"},{"full_name":"Schanda, Paul","first_name":"Paul","last_name":"Schanda","id":"7B541462-FAF6-11E9-A490-E8DFE5697425","orcid":"0000-0002-9350-7606"},{"last_name":"Brutscher","first_name":"Bernhard","full_name":"Brutscher, Bernhard"},{"full_name":"Frydman, Lucio","last_name":"Frydman","first_name":"Lucio"}],"date_updated":"2021-01-12T08:19:37Z","language":[{"iso":"eng"}],"publication":"Journal of the American Chemical Society","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"]}]