[{"article_processing_charge":"No","title":"Real-time probing of chirality during a chemical reaction","type":"journal_article","publication":"Proceedings of the National Academy of Sciences","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1073/pnas.1907189116"}],"publication_identifier":{"eissn":["1091-6490"],"issn":["0027-8424"]},"doi":"10.1073/pnas.1907189116","year":"2019","extern":"1","arxiv":1,"volume":116,"status":"public","date_updated":"2023-08-22T07:40:05Z","scopus_import":"1","issue":"48","keyword":["Multidisciplinary"],"oa_version":"Published Version","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","pmid":1,"citation":{"chicago":"Baykusheva, Denitsa Rangelova, Daniel Zindel, Vít Svoboda, Elias Bommeli, Manuel Ochsner, Andres Tehlar, and Hans Jakob Wörner. “Real-Time Probing of Chirality during a Chemical Reaction.” Proceedings of the National Academy of Sciences. Proceedings of the National Academy of Sciences, 2019. https://doi.org/10.1073/pnas.1907189116.","mla":"Baykusheva, Denitsa Rangelova, et al. “Real-Time Probing of Chirality during a Chemical Reaction.” Proceedings of the National Academy of Sciences, vol. 116, no. 48, Proceedings of the National Academy of Sciences, 2019, pp. 23923–29, doi:10.1073/pnas.1907189116.","short":"D.R. Baykusheva, D. Zindel, V. Svoboda, E. Bommeli, M. Ochsner, A. Tehlar, H.J. Wörner, Proceedings of the National Academy of Sciences 116 (2019) 23923–23929.","ista":"Baykusheva DR, Zindel D, Svoboda V, Bommeli E, Ochsner M, Tehlar A, Wörner HJ. 2019. Real-time probing of chirality during a chemical reaction. Proceedings of the National Academy of Sciences. 116(48), 23923–23929.","ieee":"D. R. Baykusheva et al., “Real-time probing of chirality during a chemical reaction,” Proceedings of the National Academy of Sciences, vol. 116, no. 48. Proceedings of the National Academy of Sciences, pp. 23923–23929, 2019.","ama":"Baykusheva DR, Zindel D, Svoboda V, et al. Real-time probing of chirality during a chemical reaction. Proceedings of the National Academy of Sciences. 2019;116(48):23923-23929. doi:10.1073/pnas.1907189116","apa":"Baykusheva, D. R., Zindel, D., Svoboda, V., Bommeli, E., Ochsner, M., Tehlar, A., & Wörner, H. J. (2019). Real-time probing of chirality during a chemical reaction. Proceedings of the National Academy of Sciences. Proceedings of the National Academy of Sciences. https://doi.org/10.1073/pnas.1907189116"},"author":[{"full_name":"Baykusheva, Denitsa Rangelova","id":"71b4d059-2a03-11ee-914d-dfa3beed6530","first_name":"Denitsa Rangelova","last_name":"Baykusheva"},{"first_name":"Daniel","last_name":"Zindel","full_name":"Zindel, Daniel"},{"full_name":"Svoboda, Vít","last_name":"Svoboda","first_name":"Vít"},{"full_name":"Bommeli, Elias","first_name":"Elias","last_name":"Bommeli"},{"last_name":"Ochsner","first_name":"Manuel","full_name":"Ochsner, Manuel"},{"first_name":"Andres","last_name":"Tehlar","full_name":"Tehlar, Andres"},{"last_name":"Wörner","first_name":"Hans Jakob","full_name":"Wörner, Hans Jakob"}],"day":"13","publication_status":"published","page":"23923-23929","month":"11","article_type":"original","oa":1,"quality_controlled":"1","language":[{"iso":"eng"}],"date_created":"2023-08-09T13:10:36Z","intvolume":" 116","abstract":[{"text":"Chiral molecules interact and react differently with other chiral objects, depending on their handedness. Therefore, it is essential to understand and ultimately control the evolution of molecular chirality during chemical reactions. Although highly sophisticated techniques for the controlled synthesis of chiral molecules have been developed, the observation of chirality on the natural femtosecond time scale of a chemical reaction has so far remained out of reach in the gas phase. Here, we demonstrate a general experimental technique, based on high-harmonic generation in tailored laser fields, and apply it to probe the time evolution of molecular chirality during the photodissociation of 2-iodobutane. These measurements show a change in sign and a pronounced increase in the magnitude of the chiral response over the first 100 fs, followed by its decay within less than 500 fs, revealing the photodissociation to achiral products. The observed time evolution is explained in terms of the variation of the electric and magnetic transition-dipole moments between the lowest electronic states of the cation as a function of the reaction coordinate. These results open the path to investigations of the chirality of molecular-reaction pathways, light-induced chirality in chemical processes, and the control of molecular chirality through tailored laser pulses.","lang":"eng"}],"external_id":{"pmid":["31723044"],"arxiv":["1906.10818"]},"publisher":"Proceedings of the National Academy of Sciences","_id":"14001","date_published":"2019-11-13T00:00:00Z"},{"abstract":[{"text":"The advancement of attosecond chronoscopy has made it possible to reveal ultrashort time dynamics of photoionization [1]. Ionization delay measurements in atomic targets provide a wealth of information about the timing of the photoelectric effect [2], resonances, electron correlations and transport. The extension of this approach to molecules, however, presents great challenges. In addition to the difficulty of identifying correct ionization channels, it is hard to disentangle the role of the anisotropic molecular landscape from the delays inherent to the excitation process itself. Here, we present the measurements of ionization delays from ethyl iodide around the 4d giant dipole resonance of iodine. We employ attosecond streaking spectroscopy, which enables to disentangle the contribution to the delay from the functional ethyl group, being responsible for the characteristic chemical reactivity of the molecule. An attosecond extreme ultraviolet (XUV) pulse ionizes the molecule around the energy of the giant resonance and the released electron is exposed to the ponderomotive force of a synchronized near-infrared (NIR) field, which yields a streaking spectrogram (see figure). Comparative phase analysis of the spectrograms corresponding to iodine 4d and neon 2p emission permits extracting overall photoemission delays for ethyl iodide. The data is recorded for multiple photon energies around the iodine 4d resonance and compared to classical Wigner propagation [3] and quantum scattering [4] calculations. Here the outgoing electron, produced via inner shell ionization of the iodine atom in ethyl iodide, and thereby hardly influenced by the molecular potential during the birth process, acquires the necessary information about the influence of the functional ethyl group during its propagation. We find significant delay contributions that can distinguish between different functional groups, providing a sensitive probe of the local molecular environment [5]. This would stimulate to perform further angle resolved measurements in molecules to probe the potential landscape in three dimension.","lang":"eng"}],"scopus_import":"1","date_published":"2019-10-17T00:00:00Z","oa_version":"None","_id":"14002","publisher":"Institute of Electrical and Electronics Engineers","article_number":"8871819","language":[{"iso":"eng"}],"quality_controlled":"1","year":"2019","extern":"1","date_updated":"2023-08-22T09:32:56Z","status":"public","date_created":"2023-08-09T13:10:49Z","month":"10","publication_identifier":{"isbn":["9781728104706"],"eisbn":["9781728104690"]},"doi":"10.1109/cleoe-eqec.2019.8871819","conference":{"start_date":"2019-06-23","name":"CLEO: European Conference on Lasers and Electro-Optics","location":"Munich, Germany","end_date":"2019-06-27"},"publication_status":"published","title":"Probing molecular influence on photoemission delays","day":"17","author":[{"full_name":"Biswas, Shubhadeep","last_name":"Biswas","first_name":"Shubhadeep"},{"full_name":"Liontos, I.","first_name":"I.","last_name":"Liontos"},{"full_name":"Kamal, A. M.","first_name":"A. M.","last_name":"Kamal"},{"full_name":"Kling, N. G.","last_name":"Kling","first_name":"N. G."},{"full_name":"Alharbi, A. F.","last_name":"Alharbi","first_name":"A. F."},{"last_name":"Alharbi","first_name":"M.","full_name":"Alharbi, M."},{"first_name":"A. M.","last_name":"Azzeer","full_name":"Azzeer, A. M."},{"full_name":"Worner, H. J.","last_name":"Worner","first_name":"H. J."},{"full_name":"Landsman, A. S.","last_name":"Landsman","first_name":"A. S."},{"first_name":"M. F.","last_name":"Kling","full_name":"Kling, M. F."},{"last_name":"Forg","first_name":"B.","full_name":"Forg, B."},{"first_name":"J.","last_name":"Schotz","full_name":"Schotz, J."},{"full_name":"Schweinberger, W.","last_name":"Schweinberger","first_name":"W."},{"first_name":"L.","last_name":"Ortmann","full_name":"Ortmann, L."},{"last_name":"Zimmermann","first_name":"T.","full_name":"Zimmermann, T."},{"full_name":"Pi, L.-W.","last_name":"Pi","first_name":"L.-W."},{"id":"71b4d059-2a03-11ee-914d-dfa3beed6530","full_name":"Baykusheva, Denitsa Rangelova","first_name":"Denitsa Rangelova","last_name":"Baykusheva"},{"full_name":"Masood, H. A.","first_name":"H. A.","last_name":"Masood"}],"article_processing_charge":"No","citation":{"ista":"Biswas S, Liontos I, Kamal AM, Kling NG, Alharbi AF, Alharbi M, Azzeer AM, Worner HJ, Landsman AS, Kling MF, Forg B, Schotz J, Schweinberger W, Ortmann L, Zimmermann T, Pi L-W, Baykusheva DR, Masood HA. 2019. Probing molecular influence on photoemission delays. 2019 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference. CLEO: European Conference on Lasers and Electro-Optics, 8871819.","ieee":"S. Biswas et al., “Probing molecular influence on photoemission delays,” in 2019 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference, Munich, Germany, 2019.","ama":"Biswas S, Liontos I, Kamal AM, et al. Probing molecular influence on photoemission delays. In: 2019 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference. Institute of Electrical and Electronics Engineers; 2019. doi:10.1109/cleoe-eqec.2019.8871819","short":"S. Biswas, I. Liontos, A.M. Kamal, N.G. Kling, A.F. Alharbi, M. Alharbi, A.M. Azzeer, H.J. Worner, A.S. Landsman, M.F. Kling, B. Forg, J. Schotz, W. Schweinberger, L. Ortmann, T. Zimmermann, L.-W. Pi, D.R. Baykusheva, H.A. Masood, in:, 2019 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference, Institute of Electrical and Electronics Engineers, 2019.","mla":"Biswas, Shubhadeep, et al. “Probing Molecular Influence on Photoemission Delays.” 2019 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference, 8871819, Institute of Electrical and Electronics Engineers, 2019, doi:10.1109/cleoe-eqec.2019.8871819.","chicago":"Biswas, Shubhadeep, I. Liontos, A. M. Kamal, N. G. Kling, A. F. Alharbi, M. Alharbi, A. M. Azzeer, et al. “Probing Molecular Influence on Photoemission Delays.” In 2019 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference. Institute of Electrical and Electronics Engineers, 2019. https://doi.org/10.1109/cleoe-eqec.2019.8871819.","apa":"Biswas, S., Liontos, I., Kamal, A. M., Kling, N. G., Alharbi, A. F., Alharbi, M., … Masood, H. A. (2019). Probing molecular influence on photoemission delays. In 2019 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference. Munich, Germany: Institute of Electrical and Electronics Engineers. https://doi.org/10.1109/cleoe-eqec.2019.8871819"},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","type":"conference","publication":"2019 Conference on Lasers and Electro-Optics Europe & European Quantum Electronics Conference"},{"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"first_name":"Francesco","last_name":"Locatello","orcid":"0000-0002-4850-0683","full_name":"Locatello, Francesco","id":"26cfd52f-2483-11ee-8040-88983bcc06d4"},{"full_name":"Tschannen, Michael","first_name":"Michael","last_name":"Tschannen"},{"first_name":"Stefan","last_name":"Bauer","full_name":"Bauer, Stefan"},{"last_name":"Rätsch","first_name":"Gunnar","full_name":"Rätsch, Gunnar"},{"first_name":"Bernhard","last_name":"Schölkopf","full_name":"Schölkopf, Bernhard"},{"full_name":"Bachem, Olivier","last_name":"Bachem","first_name":"Olivier"}],"citation":{"chicago":"Locatello, Francesco, Michael Tschannen, Stefan Bauer, Gunnar Rätsch, Bernhard Schölkopf, and Olivier Bachem. “Disentangling Factors of Variation Using Few Labels.” In 8th International Conference on Learning Representations, 2019.","mla":"Locatello, Francesco, et al. “Disentangling Factors of Variation Using Few Labels.” 8th International Conference on Learning Representations, 2019.","ista":"Locatello F, Tschannen M, Bauer S, Rätsch G, Schölkopf B, Bachem O. 2019. Disentangling factors of variation using few labels. 8th International Conference on Learning Representations. ICLR: International Conference on Learning Representations.","ama":"Locatello F, Tschannen M, Bauer S, Rätsch G, Schölkopf B, Bachem O. Disentangling factors of variation using few labels. In: 8th International Conference on Learning Representations. ; 2019.","ieee":"F. Locatello, M. Tschannen, S. Bauer, G. Rätsch, B. Schölkopf, and O. Bachem, “Disentangling factors of variation using few labels,” in 8th International Conference on Learning Representations, Virtual, 2019.","short":"F. Locatello, M. Tschannen, S. Bauer, G. Rätsch, B. Schölkopf, O. Bachem, in:, 8th International Conference on Learning Representations, 2019.","apa":"Locatello, F., Tschannen, M., Bauer, S., Rätsch, G., Schölkopf, B., & Bachem, O. (2019). Disentangling factors of variation using few labels. In 8th International Conference on Learning Representations. Virtual."},"article_processing_charge":"No","day":"20","title":"Disentangling factors of variation using few labels","publication_status":"published","type":"conference","publication":"8th International Conference on Learning Representations","main_file_link":[{"url":"https://arxiv.org/abs/1905.01258","open_access":"1"}],"month":"12","conference":{"name":"ICLR: International Conference on Learning Representations","start_date":"2020-04-26","end_date":"2020-05-01","location":"Virtual"},"oa":1,"extern":"1","year":"2019","arxiv":1,"quality_controlled":"1","language":[{"iso":"eng"}],"department":[{"_id":"FrLo"}],"date_created":"2023-08-22T14:06:37Z","status":"public","date_updated":"2023-09-12T07:01:34Z","scopus_import":"1","abstract":[{"text":"Learning disentangled representations is considered a cornerstone problem in\r\nrepresentation learning. Recently, Locatello et al. (2019) demonstrated that\r\nunsupervised disentanglement learning without inductive biases is theoretically\r\nimpossible and that existing inductive biases and unsupervised methods do not\r\nallow to consistently learn disentangled representations. However, in many\r\npractical settings, one might have access to a limited amount of supervision,\r\nfor example through manual labeling of (some) factors of variation in a few\r\ntraining examples. In this paper, we investigate the impact of such supervision\r\non state-of-the-art disentanglement methods and perform a large scale study,\r\ntraining over 52000 models under well-defined and reproducible experimental\r\nconditions. We observe that a small number of labeled examples (0.01--0.5\\% of\r\nthe data set), with potentially imprecise and incomplete labels, is sufficient\r\nto perform model selection on state-of-the-art unsupervised models. Further, we\r\ninvestigate the benefit of incorporating supervision into the training process.\r\nOverall, we empirically validate that with little and imprecise supervision it\r\nis possible to reliably learn disentangled representations.","lang":"eng"}],"external_id":{"arxiv":["1905.01258"]},"_id":"14184","oa_version":"Preprint","date_published":"2019-12-20T00:00:00Z"},{"title":"The incomplete Rosetta Stone problem: Identifiability results for multi-view nonlinear ICA","article_processing_charge":"No","type":"conference","publication":"Proceedings of the 35th Conference on Uncertainty in Artificial Intelligence","main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/1905.06642"}],"conference":{"end_date":"2019-07-25","location":"Tel Aviv, Israel","name":"UAI: Uncertainty in Artificial Intelligence","start_date":"2019-07-22"},"volume":115,"arxiv":1,"year":"2019","extern":"1","date_updated":"2023-09-12T08:07:38Z","status":"public","scopus_import":"1","oa_version":"Preprint","publication_status":"published","day":"16","author":[{"first_name":"Luigi","last_name":"Gresele","full_name":"Gresele, Luigi"},{"last_name":"Rubenstein","first_name":"Paul K.","full_name":"Rubenstein, Paul K."},{"full_name":"Mehrjou, Arash","last_name":"Mehrjou","first_name":"Arash"},{"last_name":"Locatello","first_name":"Francesco","id":"26cfd52f-2483-11ee-8040-88983bcc06d4","orcid":"0000-0002-4850-0683","full_name":"Locatello, Francesco"},{"first_name":"Bernhard","last_name":"Schölkopf","full_name":"Schölkopf, Bernhard"}],"citation":{"apa":"Gresele, L., Rubenstein, P. K., Mehrjou, A., Locatello, F., & Schölkopf, B. (2019). The incomplete Rosetta Stone problem: Identifiability results for multi-view nonlinear ICA. In Proceedings of the 35th Conference on Uncertainty in Artificial Intelligence (Vol. 115, pp. 217–227). Tel Aviv, Israel: ML Research Press.","short":"L. Gresele, P.K. Rubenstein, A. Mehrjou, F. Locatello, B. Schölkopf, in:, Proceedings of the 35th Conference on Uncertainty in Artificial Intelligence, ML Research Press, 2019, pp. 217–227.","ieee":"L. Gresele, P. K. Rubenstein, A. Mehrjou, F. Locatello, and B. Schölkopf, “The incomplete Rosetta Stone problem: Identifiability results for multi-view nonlinear ICA,” in Proceedings of the 35th Conference on Uncertainty in Artificial Intelligence, Tel Aviv, Israel, 2019, vol. 115, pp. 217–227.","ista":"Gresele L, Rubenstein PK, Mehrjou A, Locatello F, Schölkopf B. 2019. The incomplete Rosetta Stone problem: Identifiability results for multi-view nonlinear ICA. Proceedings of the 35th Conference on Uncertainty in Artificial Intelligence. UAI: Uncertainty in Artificial Intelligence, PMLR, vol. 115, 217–227.","ama":"Gresele L, Rubenstein PK, Mehrjou A, Locatello F, Schölkopf B. The incomplete Rosetta Stone problem: Identifiability results for multi-view nonlinear ICA. In: Proceedings of the 35th Conference on Uncertainty in Artificial Intelligence. Vol 115. ML Research Press; 2019:217-227.","mla":"Gresele, Luigi, et al. “The Incomplete Rosetta Stone Problem: Identifiability Results for Multi-View Nonlinear ICA.” Proceedings of the 35th Conference on Uncertainty in Artificial Intelligence, vol. 115, ML Research Press, 2019, pp. 217–27.","chicago":"Gresele, Luigi, Paul K. Rubenstein, Arash Mehrjou, Francesco Locatello, and Bernhard Schölkopf. “The Incomplete Rosetta Stone Problem: Identifiability Results for Multi-View Nonlinear ICA.” In Proceedings of the 35th Conference on Uncertainty in Artificial Intelligence, 115:217–27. ML Research Press, 2019."},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","page":"217-227","month":"05","oa":1,"department":[{"_id":"FrLo"}],"language":[{"iso":"eng"}],"quality_controlled":"1","alternative_title":["PMLR"],"date_created":"2023-08-22T14:08:35Z","external_id":{"arxiv":["1905.06642"]},"abstract":[{"text":"We consider the problem of recovering a common latent source with independent\r\ncomponents from multiple views. This applies to settings in which a variable is\r\nmeasured with multiple experimental modalities, and where the goal is to\r\nsynthesize the disparate measurements into a single unified representation. We\r\nconsider the case that the observed views are a nonlinear mixing of\r\ncomponent-wise corruptions of the sources. When the views are considered\r\nseparately, this reduces to nonlinear Independent Component Analysis (ICA) for\r\nwhich it is provably impossible to undo the mixing. We present novel\r\nidentifiability proofs that this is possible when the multiple views are\r\nconsidered jointly, showing that the mixing can theoretically be undone using\r\nfunction approximators such as deep neural networks. In contrast to known\r\nidentifiability results for nonlinear ICA, we prove that independent latent\r\nsources with arbitrary mixing can be recovered as long as multiple,\r\nsufficiently different noisy views are available.","lang":"eng"}],"intvolume":" 115","date_published":"2019-05-16T00:00:00Z","_id":"14189","publisher":"ML Research Press"},{"external_id":{"arxiv":["1906.03292"]},"abstract":[{"text":"Learning meaningful and compact representations with disentangled semantic\r\naspects is considered to be of key importance in representation learning. Since\r\nreal-world data is notoriously costly to collect, many recent state-of-the-art\r\ndisentanglement models have heavily relied on synthetic toy data-sets. In this\r\npaper, we propose a novel data-set which consists of over one million images of\r\nphysical 3D objects with seven factors of variation, such as object color,\r\nshape, size and position. In order to be able to control all the factors of\r\nvariation precisely, we built an experimental platform where the objects are\r\nbeing moved by a robotic arm. In addition, we provide two more datasets which\r\nconsist of simulations of the experimental setup. These datasets provide for\r\nthe first time the possibility to systematically investigate how well different\r\ndisentanglement methods perform on real data in comparison to simulation, and\r\nhow simulated data can be leveraged to build better representations of the real\r\nworld. We provide a first experimental study of these questions and our results\r\nindicate that learned models transfer poorly, but that model and hyperparameter\r\nselection is an effective means of transferring information to the real world.","lang":"eng"}],"intvolume":" 32","date_published":"2019-06-07T00:00:00Z","oa_version":"Preprint","_id":"14190","volume":32,"department":[{"_id":"FrLo"}],"language":[{"iso":"eng"}],"quality_controlled":"1","year":"2019","extern":"1","arxiv":1,"date_updated":"2023-09-13T09:46:38Z","status":"public","date_created":"2023-08-22T14:09:13Z","month":"06","publication_identifier":{"isbn":["9781713807933"]},"main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/1906.03292"}],"oa":1,"conference":{"end_date":"2019-12-14","location":"Vancouver, Canada","start_date":"2019-12-08","name":"NeurIPS: Neural Information Processing Systems"},"title":"On the transfer of inductive bias from simulation to the real world: a new disentanglement dataset","publication_status":"published","day":"07","article_processing_charge":"No","citation":{"apa":"Gondal, M. W., Wüthrich, M., Miladinović, Đ., Locatello, F., Breidt, M., Volchkov, V., … Bauer, S. (2019). On the transfer of inductive bias from simulation to the real world: a new disentanglement dataset. In Advances in Neural Information Processing Systems (Vol. 32). Vancouver, Canada.","chicago":"Gondal, Muhammad Waleed, Manuel Wüthrich, Đorđe Miladinović, Francesco Locatello, Martin Breidt, Valentin Volchkov, Joel Akpo, Olivier Bachem, Bernhard Schölkopf, and Stefan Bauer. “On the Transfer of Inductive Bias from Simulation to the Real World: A New Disentanglement Dataset.” In Advances in Neural Information Processing Systems, Vol. 32, 2019.","mla":"Gondal, Muhammad Waleed, et al. “On the Transfer of Inductive Bias from Simulation to the Real World: A New Disentanglement Dataset.” Advances in Neural Information Processing Systems, vol. 32, 2019.","ista":"Gondal MW, Wüthrich M, Miladinović Đ, Locatello F, Breidt M, Volchkov V, Akpo J, Bachem O, Schölkopf B, Bauer S. 2019. On the transfer of inductive bias from simulation to the real world: a new disentanglement dataset. Advances in Neural Information Processing Systems. NeurIPS: Neural Information Processing Systems vol. 32.","ama":"Gondal MW, Wüthrich M, Miladinović Đ, et al. On the transfer of inductive bias from simulation to the real world: a new disentanglement dataset. In: Advances in Neural Information Processing Systems. Vol 32. ; 2019.","ieee":"M. W. Gondal et al., “On the transfer of inductive bias from simulation to the real world: a new disentanglement dataset,” in Advances in Neural Information Processing Systems, Vancouver, Canada, 2019, vol. 32.","short":"M.W. Gondal, M. Wüthrich, Đ. Miladinović, F. Locatello, M. Breidt, V. Volchkov, J. Akpo, O. Bachem, B. Schölkopf, S. Bauer, in:, Advances in Neural Information Processing Systems, 2019."},"author":[{"last_name":"Gondal","first_name":"Muhammad Waleed","full_name":"Gondal, Muhammad Waleed"},{"full_name":"Wüthrich, Manuel","last_name":"Wüthrich","first_name":"Manuel"},{"last_name":"Miladinović","first_name":"Đorđe","full_name":"Miladinović, Đorđe"},{"id":"26cfd52f-2483-11ee-8040-88983bcc06d4","full_name":"Locatello, Francesco","orcid":"0000-0002-4850-0683","last_name":"Locatello","first_name":"Francesco"},{"full_name":"Breidt, Martin","first_name":"Martin","last_name":"Breidt"},{"full_name":"Volchkov, Valentin","last_name":"Volchkov","first_name":"Valentin"},{"first_name":"Joel","last_name":"Akpo","full_name":"Akpo, Joel"},{"last_name":"Bachem","first_name":"Olivier","full_name":"Bachem, Olivier"},{"full_name":"Schölkopf, Bernhard","first_name":"Bernhard","last_name":"Schölkopf"},{"full_name":"Bauer, Stefan","last_name":"Bauer","first_name":"Stefan"}],"user_id":"c635000d-4b10-11ee-a964-aac5a93f6ac1","publication":"Advances in Neural Information Processing Systems","type":"conference"},{"language":[{"iso":"eng"}],"quality_controlled":"1","department":[{"_id":"FrLo"}],"date_created":"2023-08-22T14:09:35Z","intvolume":" 32","abstract":[{"lang":"eng","text":"A broad class of convex optimization problems can be formulated as a semidefinite program (SDP), minimization of a convex function over the positive-semidefinite cone subject to some affine constraints. The majority of classical SDP solvers are designed for the deterministic setting where problem data is readily available. In this setting, generalized conditional gradient methods (aka Frank-Wolfe-type methods) provide scalable solutions by leveraging the so-called linear minimization oracle instead of the projection onto the semidefinite cone. Most problems in machine learning and modern engineering applications, however, contain some degree of stochasticity. In this work, we propose the first conditional-gradient-type method for solving stochastic optimization problems under affine constraints. Our method guarantees O(k−1/3) convergence rate in expectation on the objective residual and O(k−5/12) on the feasibility gap."}],"external_id":{"arxiv":["1901.10348"]},"_id":"14191","date_published":"2019-12-29T00:00:00Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"apa":"Locatello, F., Yurtsever, A., Fercoq, O., & Cevher, V. (2019). Stochastic Frank-Wolfe for composite convex minimization. In Advances in Neural Information Processing Systems (Vol. 32, pp. 14291–14301). Vancouver, Canada.","mla":"Locatello, Francesco, et al. “Stochastic Frank-Wolfe for Composite Convex Minimization.” Advances in Neural Information Processing Systems, vol. 32, 2019, pp. 14291–14301.","chicago":"Locatello, Francesco, Alp Yurtsever, Olivier Fercoq, and Volkan Cevher. “Stochastic Frank-Wolfe for Composite Convex Minimization.” In Advances in Neural Information Processing Systems, 32:14291–14301, 2019.","ieee":"F. Locatello, A. Yurtsever, O. Fercoq, and V. Cevher, “Stochastic Frank-Wolfe for composite convex minimization,” in Advances in Neural Information Processing Systems, Vancouver, Canada, 2019, vol. 32, pp. 14291–14301.","ista":"Locatello F, Yurtsever A, Fercoq O, Cevher V. 2019. Stochastic Frank-Wolfe for composite convex minimization. Advances in Neural Information Processing Systems. NeurIPS: Neural Information Processing Systems vol. 32, 14291–14301.","ama":"Locatello F, Yurtsever A, Fercoq O, Cevher V. Stochastic Frank-Wolfe for composite convex minimization. In: Advances in Neural Information Processing Systems. Vol 32. ; 2019:14291–14301.","short":"F. Locatello, A. Yurtsever, O. Fercoq, V. Cevher, in:, Advances in Neural Information Processing Systems, 2019, pp. 14291–14301."},"author":[{"id":"26cfd52f-2483-11ee-8040-88983bcc06d4","orcid":"0000-0002-4850-0683","full_name":"Locatello, Francesco","first_name":"Francesco","last_name":"Locatello"},{"last_name":"Yurtsever","first_name":"Alp","full_name":"Yurtsever, Alp"},{"first_name":"Olivier","last_name":"Fercoq","full_name":"Fercoq, Olivier"},{"full_name":"Cevher, Volkan","first_name":"Volkan","last_name":"Cevher"}],"day":"29","publication_status":"published","page":"14291–14301","month":"12","oa":1,"year":"2019","extern":"1","arxiv":1,"volume":32,"status":"public","date_updated":"2023-09-12T08:48:45Z","scopus_import":"1","oa_version":"Preprint","article_processing_charge":"No","title":"Stochastic Frank-Wolfe for composite convex minimization","publication":"Advances in Neural Information Processing Systems","type":"conference","main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/1901.10348"}],"publication_identifier":{"isbn":["9781713807933"]},"conference":{"end_date":"2019-12-14","location":"Vancouver, Canada","start_date":"2019-12-08","name":"NeurIPS: Neural Information Processing Systems"}},{"main_file_link":[{"open_access":"1","url":"https://doi.org/10.48550/arXiv.1905.12506"}],"month":"05","publication_identifier":{"isbn":["9781713807933"]},"oa":1,"conference":{"location":"Vancouver, Canada","end_date":"2019-12-14","start_date":"2019-12-08","name":"NeurIPS: Neural Information Processing Systems"},"citation":{"apa":"Steenkiste, S. van, Locatello, F., Schmidhuber, J., & Bachem, O. (2019). Are disentangled representations helpful for abstract visual reasoning? In Advances in Neural Information Processing Systems (Vol. 32). Vancouver, Canada.","chicago":"Steenkiste, Sjoerd van, Francesco Locatello, Jürgen Schmidhuber, and Olivier Bachem. “Are Disentangled Representations Helpful for Abstract Visual Reasoning?” In Advances in Neural Information Processing Systems, Vol. 32, 2019.","mla":"Steenkiste, Sjoerd van, et al. “Are Disentangled Representations Helpful for Abstract Visual Reasoning?” Advances in Neural Information Processing Systems, vol. 32, 2019.","short":"S. van Steenkiste, F. Locatello, J. Schmidhuber, O. Bachem, in:, Advances in Neural Information Processing Systems, 2019.","ama":"Steenkiste S van, Locatello F, Schmidhuber J, Bachem O. Are disentangled representations helpful for abstract visual reasoning? In: Advances in Neural Information Processing Systems. Vol 32. ; 2019.","ista":"Steenkiste S van, Locatello F, Schmidhuber J, Bachem O. 2019. Are disentangled representations helpful for abstract visual reasoning? Advances in Neural Information Processing Systems. NeurIPS: Neural Information Processing Systems vol. 32.","ieee":"S. van Steenkiste, F. Locatello, J. Schmidhuber, and O. Bachem, “Are disentangled representations helpful for abstract visual reasoning?,” in Advances in Neural Information Processing Systems, Vancouver, Canada, 2019, vol. 32."},"author":[{"first_name":"Sjoerd van","last_name":"Steenkiste","full_name":"Steenkiste, Sjoerd van"},{"first_name":"Francesco","last_name":"Locatello","orcid":"0000-0002-4850-0683","full_name":"Locatello, Francesco","id":"26cfd52f-2483-11ee-8040-88983bcc06d4"},{"first_name":"Jürgen","last_name":"Schmidhuber","full_name":"Schmidhuber, Jürgen"},{"full_name":"Bachem, Olivier","first_name":"Olivier","last_name":"Bachem"}],"article_processing_charge":"No","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","title":"Are disentangled representations helpful for abstract visual reasoning?","publication_status":"published","day":"29","publication":"Advances in Neural Information Processing Systems","type":"conference","abstract":[{"lang":"eng","text":"A disentangled representation encodes information about the salient factors\r\nof variation in the data independently. Although it is often argued that this\r\nrepresentational format is useful in learning to solve many real-world\r\ndown-stream tasks, there is little empirical evidence that supports this claim.\r\nIn this paper, we conduct a large-scale study that investigates whether\r\ndisentangled representations are more suitable for abstract reasoning tasks.\r\nUsing two new tasks similar to Raven's Progressive Matrices, we evaluate the\r\nusefulness of the representations learned by 360 state-of-the-art unsupervised\r\ndisentanglement models. Based on these representations, we train 3600 abstract\r\nreasoning models and observe that disentangled representations do in fact lead\r\nto better down-stream performance. In particular, they enable quicker learning\r\nusing fewer samples."}],"intvolume":" 32","external_id":{"arxiv":["1905.12506"]},"_id":"14193","date_published":"2019-05-29T00:00:00Z","oa_version":"Preprint","language":[{"iso":"eng"}],"quality_controlled":"1","year":"2019","arxiv":1,"extern":"1","volume":32,"department":[{"_id":"FrLo"}],"status":"public","date_created":"2023-08-22T14:09:53Z","date_updated":"2024-10-14T12:28:15Z"},{"oa_version":"Preprint","scopus_import":"1","date_updated":"2024-10-14T12:29:05Z","status":"public","volume":32,"arxiv":1,"year":"2019","extern":"1","conference":{"start_date":"2019-12-08","name":"NeurIPS: Neural Information Processing Systems","end_date":"2019-12-14","location":"Vancouver, Canada"},"publication_identifier":{"isbn":["9781713807933"]},"main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/1905.13662"}],"type":"conference","publication":"Advances in Neural Information Processing Systems","title":"On the fairness of disentangled representations","article_processing_charge":"No","date_published":"2019-12-08T00:00:00Z","_id":"14197","external_id":{"arxiv":["1905.13662"]},"intvolume":" 32","abstract":[{"text":"Recently there has been a significant interest in learning disentangled\r\nrepresentations, as they promise increased interpretability, generalization to\r\nunseen scenarios and faster learning on downstream tasks. In this paper, we\r\ninvestigate the usefulness of different notions of disentanglement for\r\nimproving the fairness of downstream prediction tasks based on representations.\r\nWe consider the setting where the goal is to predict a target variable based on\r\nthe learned representation of high-dimensional observations (such as images)\r\nthat depend on both the target variable and an \\emph{unobserved} sensitive\r\nvariable. We show that in this setting both the optimal and empirical\r\npredictions can be unfair, even if the target variable and the sensitive\r\nvariable are independent. Analyzing the representations of more than\r\n\\num{12600} trained state-of-the-art disentangled models, we observe that\r\nseveral disentanglement scores are consistently correlated with increased\r\nfairness, suggesting that disentanglement may be a useful property to encourage\r\nfairness when sensitive variables are not observed.","lang":"eng"}],"date_created":"2023-08-22T14:12:28Z","department":[{"_id":"FrLo"}],"language":[{"iso":"eng"}],"quality_controlled":"1","oa":1,"month":"12","page":"14611–14624","day":"08","publication_status":"published","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"first_name":"Francesco","last_name":"Locatello","id":"26cfd52f-2483-11ee-8040-88983bcc06d4","full_name":"Locatello, Francesco","orcid":"0000-0002-4850-0683"},{"full_name":"Abbati, Gabriele","first_name":"Gabriele","last_name":"Abbati"},{"first_name":"Tom","last_name":"Rainforth","full_name":"Rainforth, Tom"},{"first_name":"Stefan","last_name":"Bauer","full_name":"Bauer, Stefan"},{"full_name":"Schölkopf, Bernhard","last_name":"Schölkopf","first_name":"Bernhard"},{"first_name":"Olivier","last_name":"Bachem","full_name":"Bachem, Olivier"}],"citation":{"chicago":"Locatello, Francesco, Gabriele Abbati, Tom Rainforth, Stefan Bauer, Bernhard Schölkopf, and Olivier Bachem. “On the Fairness of Disentangled Representations.” In Advances in Neural Information Processing Systems, 32:14611–14624, 2019.","mla":"Locatello, Francesco, et al. “On the Fairness of Disentangled Representations.” Advances in Neural Information Processing Systems, vol. 32, 2019, pp. 14611–14624.","ista":"Locatello F, Abbati G, Rainforth T, Bauer S, Schölkopf B, Bachem O. 2019. On the fairness of disentangled representations. Advances in Neural Information Processing Systems. NeurIPS: Neural Information Processing Systems vol. 32, 14611–14624.","ama":"Locatello F, Abbati G, Rainforth T, Bauer S, Schölkopf B, Bachem O. On the fairness of disentangled representations. In: Advances in Neural Information Processing Systems. Vol 32. ; 2019:14611–14624.","ieee":"F. Locatello, G. Abbati, T. Rainforth, S. Bauer, B. Schölkopf, and O. Bachem, “On the fairness of disentangled representations,” in Advances in Neural Information Processing Systems, Vancouver, Canada, 2019, vol. 32, pp. 14611–14624.","short":"F. Locatello, G. Abbati, T. Rainforth, S. Bauer, B. Schölkopf, O. Bachem, in:, Advances in Neural Information Processing Systems, 2019, pp. 14611–14624.","apa":"Locatello, F., Abbati, G., Rainforth, T., Bauer, S., Schölkopf, B., & Bachem, O. (2019). On the fairness of disentangled representations. In Advances in Neural Information Processing Systems (Vol. 32, pp. 14611–14624). Vancouver, Canada."}},{"volume":97,"year":"2019","arxiv":1,"extern":"1","date_updated":"2024-10-14T12:29:16Z","status":"public","scopus_import":"1","oa_version":"Preprint","title":"Challenging common assumptions in the unsupervised learning of disentangled representations","article_processing_charge":"No","publication":"Proceedings of the 36th International Conference on Machine Learning","type":"conference","main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/1811.12359"}],"conference":{"location":"Long Beach, CA, United States","end_date":"2019-06-15","start_date":"2019-06-10","name":"International Conference on Machine Learning"},"department":[{"_id":"FrLo"}],"language":[{"iso":"eng"}],"quality_controlled":"1","date_created":"2023-08-22T14:13:08Z","external_id":{"arxiv":["1811.12359"]},"abstract":[{"text":"The key idea behind the unsupervised learning of disentangled representations\r\nis that real-world data is generated by a few explanatory factors of variation\r\nwhich can be recovered by unsupervised learning algorithms. In this paper, we\r\nprovide a sober look at recent progress in the field and challenge some common\r\nassumptions. We first theoretically show that the unsupervised learning of\r\ndisentangled representations is fundamentally impossible without inductive\r\nbiases on both the models and the data. Then, we train more than 12000 models\r\ncovering most prominent methods and evaluation metrics in a reproducible\r\nlarge-scale experimental study on seven different data sets. We observe that\r\nwhile the different methods successfully enforce properties ``encouraged'' by\r\nthe corresponding losses, well-disentangled models seemingly cannot be\r\nidentified without supervision. Furthermore, increased disentanglement does not\r\nseem to lead to a decreased sample complexity of learning for downstream tasks.\r\nOur results suggest that future work on disentanglement learning should be\r\nexplicit about the role of inductive biases and (implicit) supervision,\r\ninvestigate concrete benefits of enforcing disentanglement of the learned\r\nrepresentations, and consider a reproducible experimental setup covering\r\nseveral data sets.","lang":"eng"}],"intvolume":" 97","date_published":"2019-06-09T00:00:00Z","_id":"14200","publisher":"ML Research Press","publication_status":"published","day":"09","citation":{"apa":"Locatello, F., Bauer, S., Lucic, M., Rätsch, G., Gelly, S., Schölkopf, B., & Bachem, O. (2019). Challenging common assumptions in the unsupervised learning of disentangled representations. In Proceedings of the 36th International Conference on Machine Learning (Vol. 97, pp. 4114–4124). Long Beach, CA, United States: ML Research Press.","ama":"Locatello F, Bauer S, Lucic M, et al. Challenging common assumptions in the unsupervised learning of disentangled representations. In: Proceedings of the 36th International Conference on Machine Learning. Vol 97. ML Research Press; 2019:4114-4124.","ista":"Locatello F, Bauer S, Lucic M, Rätsch G, Gelly S, Schölkopf B, Bachem O. 2019. Challenging common assumptions in the unsupervised learning of disentangled representations. Proceedings of the 36th International Conference on Machine Learning. International Conference on Machine Learning vol. 97, 4114–4124.","ieee":"F. Locatello et al., “Challenging common assumptions in the unsupervised learning of disentangled representations,” in Proceedings of the 36th International Conference on Machine Learning, Long Beach, CA, United States, 2019, vol. 97, pp. 4114–4124.","short":"F. Locatello, S. Bauer, M. Lucic, G. Rätsch, S. Gelly, B. Schölkopf, O. Bachem, in:, Proceedings of the 36th International Conference on Machine Learning, ML Research Press, 2019, pp. 4114–4124.","chicago":"Locatello, Francesco, Stefan Bauer, Mario Lucic, Gunnar Rätsch, Sylvain Gelly, Bernhard Schölkopf, and Olivier Bachem. “Challenging Common Assumptions in the Unsupervised Learning of Disentangled Representations.” In Proceedings of the 36th International Conference on Machine Learning, 97:4114–24. ML Research Press, 2019.","mla":"Locatello, Francesco, et al. “Challenging Common Assumptions in the Unsupervised Learning of Disentangled Representations.” Proceedings of the 36th International Conference on Machine Learning, vol. 97, ML Research Press, 2019, pp. 4114–24."},"author":[{"id":"26cfd52f-2483-11ee-8040-88983bcc06d4","orcid":"0000-0002-4850-0683","full_name":"Locatello, Francesco","first_name":"Francesco","last_name":"Locatello"},{"full_name":"Bauer, Stefan","last_name":"Bauer","first_name":"Stefan"},{"first_name":"Mario","last_name":"Lucic","full_name":"Lucic, Mario"},{"last_name":"Rätsch","first_name":"Gunnar","full_name":"Rätsch, Gunnar"},{"last_name":"Gelly","first_name":"Sylvain","full_name":"Gelly, Sylvain"},{"full_name":"Schölkopf, Bernhard","last_name":"Schölkopf","first_name":"Bernhard"},{"full_name":"Bachem, Olivier","last_name":"Bachem","first_name":"Olivier"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","page":"4114-4124","month":"06","oa":1},{"publication_status":"published","day":"16","citation":{"apa":"FAS, E., Praetorius, F. M., Wachauf, C., Brüggenthies, G., Kohler, F., Kick, B., … Dietz, H. (2019). Custom-size, functional, and durable DNA origami with design-specific scaffolds. ACS Nano. ACS Publications. https://doi.org/10.1021/acsnano.9b01025","chicago":"FAS, Engelhardt, Florian M Praetorius, CH Wachauf, G Brüggenthies, F Kohler, B Kick, KL Kadletz, et al. “Custom-Size, Functional, and Durable DNA Origami with Design-Specific Scaffolds.” ACS Nano. ACS Publications, 2019. https://doi.org/10.1021/acsnano.9b01025.","mla":"FAS, Engelhardt, et al. “Custom-Size, Functional, and Durable DNA Origami with Design-Specific Scaffolds.” ACS Nano, vol. 13, no. 5, ACS Publications, 2019, pp. 5015–27, doi:10.1021/acsnano.9b01025.","ieee":"E. FAS et al., “Custom-size, functional, and durable DNA origami with design-specific scaffolds,” ACS Nano, vol. 13, no. 5. ACS Publications, pp. 5015–5027, 2019.","ama":"FAS E, Praetorius FM, Wachauf C, et al. Custom-size, functional, and durable DNA origami with design-specific scaffolds. ACS Nano. 2019;13(5):5015-5027. doi:10.1021/acsnano.9b01025","ista":"FAS E, Praetorius FM, Wachauf C, Brüggenthies G, Kohler F, Kick B, Kadletz K, Pham P, Behler K, Gerling T, Dietz H. 2019. Custom-size, functional, and durable DNA origami with design-specific scaffolds. ACS Nano. 13(5), 5015–5027.","short":"E. FAS, F.M. Praetorius, C. Wachauf, G. Brüggenthies, F. Kohler, B. Kick, K. Kadletz, P. Pham, K. Behler, T. Gerling, H. Dietz, ACS Nano 13 (2019) 5015–5027."},"author":[{"full_name":"FAS, Engelhardt","last_name":"FAS","first_name":"Engelhardt"},{"id":"dfec9381-4341-11ee-8fd8-faa02bba7d62","full_name":"Praetorius, Florian M","last_name":"Praetorius","first_name":"Florian M"},{"first_name":"CH","last_name":"Wachauf","full_name":"Wachauf, CH"},{"last_name":"Brüggenthies","first_name":"G","full_name":"Brüggenthies, G"},{"last_name":"Kohler","first_name":"F","full_name":"Kohler, F"},{"first_name":"B","last_name":"Kick","full_name":"Kick, B"},{"first_name":"KL","last_name":"Kadletz","full_name":"Kadletz, KL"},{"first_name":"PN","last_name":"Pham","full_name":"Pham, PN"},{"full_name":"Behler, KL","last_name":"Behler","first_name":"KL"},{"full_name":"Gerling, T","first_name":"T","last_name":"Gerling"},{"first_name":"H","last_name":"Dietz","full_name":"Dietz, H"}],"pmid":1,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","page":"5015-5027","article_type":"original","month":"04","oa":1,"quality_controlled":"1","language":[{"iso":"eng"}],"date_created":"2023-09-06T12:48:47Z","external_id":{"pmid":["30990672"]},"abstract":[{"lang":"eng","text":"DNA origami nano-objects are usually designed around generic single-stranded “scaffolds”. Many properties of the target object are determined by details of those generic scaffold sequences. Here, we enable designers to fully specify the target structure not only in terms of desired 3D shape but also in terms of the sequences used. To this end, we built design tools to construct scaffold sequences de novo based on strand diagrams, and we developed scalable production methods for creating design-specific scaffold strands with fully user-defined sequences. We used 17 custom scaffolds having different lengths and sequence properties to study the influence of sequence redundancy and sequence composition on multilayer DNA origami assembly and to realize efficient one-pot assembly of multiscaffold DNA origami objects. Furthermore, as examples for functionalized scaffolds, we created a scaffold that enables direct, covalent cross-linking of DNA origami via UV irradiation, and we built DNAzyme-containing scaffolds that allow postfolding DNA origami domain separation."}],"intvolume":" 13","date_published":"2019-04-16T00:00:00Z","_id":"14299","publisher":"ACS Publications","title":"Custom-size, functional, and durable DNA origami with design-specific scaffolds","article_processing_charge":"No","type":"journal_article","publication":"ACS Nano","publication_identifier":{"issn":["1936-0851"],"eissn":["1936-086x"]},"main_file_link":[{"url":"https://doi.org/10.1021/acsnano.9b01025","open_access":"1"}],"doi":"10.1021/acsnano.9b01025","volume":13,"year":"2019","extern":"1","date_updated":"2023-11-07T12:17:31Z","status":"public","issue":"5","scopus_import":"1","oa_version":"Published Version"},{"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","citation":{"apa":"Gutiérrez-Ceron, C., Oñate, R., Zagal, J. H., Pizarro, A., Silva, J. F., Castro-Castillo, C., … Ponce, I. (2019). Molecular conductance versus inductive effects of axial ligands on the electrocatalytic activity of self-assembled iron phthalocyanines: The oxygen reduction reaction. Electrochimica Acta. Elsevier. https://doi.org/10.1016/j.electacta.2019.134996","chicago":"Gutiérrez-Ceron, Cristian, Rubén Oñate, José H. Zagal, Ana Pizarro, J. Francisco Silva, Carmen Castro-Castillo, Marcos Caroli Rezende, et al. “Molecular Conductance versus Inductive Effects of Axial Ligands on the Electrocatalytic Activity of Self-Assembled Iron Phthalocyanines: The Oxygen Reduction Reaction.” Electrochimica Acta. Elsevier, 2019. https://doi.org/10.1016/j.electacta.2019.134996.","mla":"Gutiérrez-Ceron, Cristian, et al. “Molecular Conductance versus Inductive Effects of Axial Ligands on the Electrocatalytic Activity of Self-Assembled Iron Phthalocyanines: The Oxygen Reduction Reaction.” Electrochimica Acta, vol. 327, 134996, Elsevier, 2019, doi:10.1016/j.electacta.2019.134996.","ista":"Gutiérrez-Ceron C, Oñate R, Zagal JH, Pizarro A, Silva JF, Castro-Castillo C, Rezende MC, Flores M, Cortés-Arriagada D, Toro-Labbé A, Campos LM, Venkataraman L, Ponce I. 2019. Molecular conductance versus inductive effects of axial ligands on the electrocatalytic activity of self-assembled iron phthalocyanines: The oxygen reduction reaction. Electrochimica Acta. 327, 134996.","ieee":"C. Gutiérrez-Ceron et al., “Molecular conductance versus inductive effects of axial ligands on the electrocatalytic activity of self-assembled iron phthalocyanines: The oxygen reduction reaction,” Electrochimica Acta, vol. 327. Elsevier, 2019.","ama":"Gutiérrez-Ceron C, Oñate R, Zagal JH, et al. Molecular conductance versus inductive effects of axial ligands on the electrocatalytic activity of self-assembled iron phthalocyanines: The oxygen reduction reaction. Electrochimica Acta. 2019;327. doi:10.1016/j.electacta.2019.134996","short":"C. Gutiérrez-Ceron, R. Oñate, J.H. Zagal, A. Pizarro, J.F. Silva, C. Castro-Castillo, M.C. Rezende, M. Flores, D. Cortés-Arriagada, A. Toro-Labbé, L.M. Campos, L. Venkataraman, I. Ponce, Electrochimica Acta 327 (2019)."},"author":[{"full_name":"Gutiérrez-Ceron, Cristian","first_name":"Cristian","last_name":"Gutiérrez-Ceron"},{"first_name":"Rubén","last_name":"Oñate","full_name":"Oñate, Rubén"},{"full_name":"Zagal, José H.","first_name":"José H.","last_name":"Zagal"},{"full_name":"Pizarro, Ana","last_name":"Pizarro","first_name":"Ana"},{"last_name":"Silva","first_name":"J. Francisco","full_name":"Silva, J. Francisco"},{"last_name":"Castro-Castillo","first_name":"Carmen","full_name":"Castro-Castillo, Carmen"},{"full_name":"Rezende, Marcos Caroli","first_name":"Marcos Caroli","last_name":"Rezende"},{"full_name":"Flores, Marcos","last_name":"Flores","first_name":"Marcos"},{"first_name":"Diego","last_name":"Cortés-Arriagada","full_name":"Cortés-Arriagada, Diego"},{"full_name":"Toro-Labbé, Alejandro","first_name":"Alejandro","last_name":"Toro-Labbé"},{"first_name":"Luis M.","last_name":"Campos","full_name":"Campos, Luis M."},{"first_name":"Latha","last_name":"Venkataraman","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"},{"full_name":"Ponce, Ingrid","first_name":"Ingrid","last_name":"Ponce"}],"article_processing_charge":"No","day":"10","OA_type":"closed access","publication_status":"published","title":"Molecular conductance versus inductive effects of axial ligands on the electrocatalytic activity of self-assembled iron phthalocyanines: The oxygen reduction reaction","publication":"Electrochimica Acta","type":"journal_article","publication_identifier":{"issn":["0013-4686"]},"month":"12","article_type":"original","doi":"10.1016/j.electacta.2019.134996","extern":"1","year":"2019","quality_controlled":"1","language":[{"iso":"eng"}],"article_number":"134996","volume":327,"date_created":"2024-09-09T07:39:29Z","status":"public","date_updated":"2024-12-10T12:30:09Z","intvolume":" 327","abstract":[{"lang":"eng","text":"The construction of self-assembled iron phthalocyanine (FePc) systems on gold electrodes modified by self-assembled monolayers (SAMs) is becoming an interesting strategy for obtaining electrocatalytic molecular building blocks for the oxygen reduction reaction (ORR). In this work, we have measured the conductance of pyridiniums axial ligands at the single molecule level using the scanning tunneling microscope-based break-junction method (STM-Break Junction) to study the role of the axial ligand on the activity of the self-assembled FePc systems on a gold electrode surface. The electron-pulling effect of pyridinium axial ligands is known to increase the electrocatalytic activity of FePc for the oxygen reduction reaction (ORR). We have used these systems as a platform for carrying out a comparative study for understanding the real influence of the proximal axial ligands. Further, these ligands act as molecular wires between the gold electrode surface and the FePc molecule. The pyridinium molecules were synthesized following a series of structural variations using a basic molecular backbone. From conductance measurements obtained for each pyridinium molecule, it was possible to establish that electron transport through each pyridinium does not influence the activity of FePc for ORR in alkaline media. In addition, the DFT calculations shows that the axial ligand in FePc modifies its catalytic activity by decreasing the binding energy of O2 to the Fe site."}],"scopus_import":"1","publisher":"Elsevier","_id":"17915","oa_version":"None","date_published":"2019-12-10T00:00:00Z"},{"language":[{"iso":"eng"}],"quality_controlled":"1","date_created":"2024-09-09T07:40:44Z","abstract":[{"text":"Electric fields have been proposed as having a distinct ability to catalyze chemical reactions through the stabilization of polar or ionic intermediate transition states. Although field-assisted catalysis is being researched, the ability to catalyze reactions in solution using electric fields remains elusive and the understanding of mechanisms of such catalysis is sparse. Here we show that an electric field can catalyze the cis-to-trans isomerization of [3]cumulene derivatives in solution, in a scanning tunneling microscope. We further show that the external electric field can alter the thermodynamics inhibiting the trans-to-cis reverse reaction, endowing the selectivity toward trans isomer. Using density functional theory-based calculations, we find that the applied electric field promotes a zwitterionic resonance form, which ensures a lower energy transition state for the isomerization reaction. The field also stabilizes the trans form, relative to the cis, dictating the cis/trans thermodynamics, driving the equilibrium product exclusively toward the trans.","lang":"eng"}],"intvolume":" 10","OA_place":"publisher","external_id":{"pmid":["31578333"]},"_id":"17916","publisher":"Springer Nature","date_published":"2019-10-02T00:00:00Z","citation":{"apa":"Zang, Y., Zou, Q., Fu, T., Ng, F., Fowler, B., Yang, J., … Venkataraman, L. (2019). Directing isomerization reactions of cumulenes with electric fields. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-019-12487-w","ieee":"Y. Zang et al., “Directing isomerization reactions of cumulenes with electric fields,” Nature Communications, vol. 10. Springer Nature, 2019.","ama":"Zang Y, Zou Q, Fu T, et al. Directing isomerization reactions of cumulenes with electric fields. Nature Communications. 2019;10. doi:10.1038/s41467-019-12487-w","ista":"Zang Y, Zou Q, Fu T, Ng F, Fowler B, Yang J, Li H, Steigerwald ML, Nuckolls C, Venkataraman L. 2019. Directing isomerization reactions of cumulenes with electric fields. Nature Communications. 10, 4482.","short":"Y. Zang, Q. Zou, T. Fu, F. Ng, B. Fowler, J. Yang, H. Li, M.L. Steigerwald, C. Nuckolls, L. Venkataraman, Nature Communications 10 (2019).","mla":"Zang, Yaping, et al. “Directing Isomerization Reactions of Cumulenes with Electric Fields.” Nature Communications, vol. 10, 4482, Springer Nature, 2019, doi:10.1038/s41467-019-12487-w.","chicago":"Zang, Yaping, Qi Zou, Tianren Fu, Fay Ng, Brandon Fowler, Jingjing Yang, Hexing Li, Michael L. Steigerwald, Colin Nuckolls, and Latha Venkataraman. “Directing Isomerization Reactions of Cumulenes with Electric Fields.” Nature Communications. Springer Nature, 2019. https://doi.org/10.1038/s41467-019-12487-w."},"author":[{"full_name":"Zang, Yaping","first_name":"Yaping","last_name":"Zang"},{"full_name":"Zou, Qi","last_name":"Zou","first_name":"Qi"},{"full_name":"Fu, Tianren","first_name":"Tianren","last_name":"Fu"},{"full_name":"Ng, Fay","first_name":"Fay","last_name":"Ng"},{"last_name":"Fowler","first_name":"Brandon","full_name":"Fowler, Brandon"},{"full_name":"Yang, Jingjing","last_name":"Yang","first_name":"Jingjing"},{"first_name":"Hexing","last_name":"Li","full_name":"Li, Hexing"},{"full_name":"Steigerwald, Michael L.","first_name":"Michael L.","last_name":"Steigerwald"},{"full_name":"Nuckolls, Colin","last_name":"Nuckolls","first_name":"Colin"},{"full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","first_name":"Latha","last_name":"Venkataraman"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","pmid":1,"publication_status":"published","OA_type":"gold","day":"02","article_type":"original","month":"10","oa":1,"DOAJ_listed":"1","year":"2019","extern":"1","volume":10,"article_number":"4482","status":"public","date_updated":"2024-12-10T12:32:33Z","scopus_import":"1","oa_version":"Published Version","article_processing_charge":"Yes","title":"Directing isomerization reactions of cumulenes with electric fields","publication":"Nature Communications","type":"journal_article","main_file_link":[{"url":"https://doi.org/10.1038/s41467-019-12487-w","open_access":"1"}],"publication_identifier":{"issn":["2041-1723"]},"doi":"10.1038/s41467-019-12487-w"},{"quality_controlled":"1","language":[{"iso":"eng"}],"date_created":"2024-09-09T07:41:47Z","external_id":{"pmid":["31226235"]},"intvolume":" 58","abstract":[{"text":"A single-molecule method has been developed based on the scanning tunneling microscope (STM) to selectively couple a series of aniline derivatives and create azobenzenes. The Au-catalyzed oxidative coupling is driven by the local electrochemical potential at the nanostructured Au STM tip. The products are detected in situ by measuring the conductance and molecular junction elongation and compared with analogous measurements of the expected azobenzene derivatives prepared ex situ. This single-molecule approach is robust, and it can quickly and reproducibly create reactions for a variety of anilines. We further demonstrate the selective synthesis of geometric isomers and the assembly of complex molecular architectures by sequential coupling of complementary anilines, demonstrating unprecedented control over bond formation at the nanoscale.","lang":"eng"}],"date_published":"2019-11-04T00:00:00Z","publisher":"Wiley","_id":"17917","day":"04","OA_type":"closed access","publication_status":"published","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","pmid":1,"author":[{"last_name":"Zang","first_name":"Yaping","full_name":"Zang, Yaping"},{"full_name":"Stone, Ilana","first_name":"Ilana","last_name":"Stone"},{"last_name":"Inkpen","first_name":"Michael S.","full_name":"Inkpen, Michael S."},{"full_name":"Ng, Fay","first_name":"Fay","last_name":"Ng"},{"last_name":"Lambert","first_name":"Tristan H.","full_name":"Lambert, Tristan H."},{"last_name":"Nuckolls","first_name":"Colin","full_name":"Nuckolls, Colin"},{"last_name":"Steigerwald","first_name":"Michael L.","full_name":"Steigerwald, Michael L."},{"full_name":"Roy, Xavier","first_name":"Xavier","last_name":"Roy"},{"first_name":"Latha","last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089"}],"citation":{"short":"Y. Zang, I. Stone, M.S. Inkpen, F. Ng, T.H. Lambert, C. Nuckolls, M.L. Steigerwald, X. Roy, L. Venkataraman, Angewandte Chemie International Edition 58 (2019) 16008–16012.","ista":"Zang Y, Stone I, Inkpen MS, Ng F, Lambert TH, Nuckolls C, Steigerwald ML, Roy X, Venkataraman L. 2019. In situ coupling of single molecules driven by gold‐catalyzed electrooxidation. Angewandte Chemie International Edition. 58(45), 16008–16012.","ieee":"Y. Zang et al., “In situ coupling of single molecules driven by gold‐catalyzed electrooxidation,” Angewandte Chemie International Edition, vol. 58, no. 45. Wiley, pp. 16008–16012, 2019.","ama":"Zang Y, Stone I, Inkpen MS, et al. In situ coupling of single molecules driven by gold‐catalyzed electrooxidation. Angewandte Chemie International Edition. 2019;58(45):16008-16012. doi:10.1002/anie.201906215","chicago":"Zang, Yaping, Ilana Stone, Michael S. Inkpen, Fay Ng, Tristan H. Lambert, Colin Nuckolls, Michael L. Steigerwald, Xavier Roy, and Latha Venkataraman. “In Situ Coupling of Single Molecules Driven by Gold‐catalyzed Electrooxidation.” Angewandte Chemie International Edition. Wiley, 2019. https://doi.org/10.1002/anie.201906215.","mla":"Zang, Yaping, et al. “In Situ Coupling of Single Molecules Driven by Gold‐catalyzed Electrooxidation.” Angewandte Chemie International Edition, vol. 58, no. 45, Wiley, 2019, pp. 16008–12, doi:10.1002/anie.201906215.","apa":"Zang, Y., Stone, I., Inkpen, M. S., Ng, F., Lambert, T. H., Nuckolls, C., … Venkataraman, L. (2019). In situ coupling of single molecules driven by gold‐catalyzed electrooxidation. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.201906215"},"page":"16008-16012","month":"11","article_type":"original","volume":58,"year":"2019","extern":"1","date_updated":"2024-12-10T12:36:30Z","status":"public","scopus_import":"1","issue":"45","oa_version":"None","title":"In situ coupling of single molecules driven by gold‐catalyzed electrooxidation","article_processing_charge":"No","type":"journal_article","publication":"Angewandte Chemie International Edition","publication_identifier":{"issn":["1433-7851"],"eissn":["1521-3773"]},"doi":"10.1002/anie.201906215"},{"date_created":"2024-09-09T07:42:26Z","quality_controlled":"1","language":[{"iso":"eng"}],"publisher":"American Chemical Society","_id":"17918","date_published":"2019-09-10T00:00:00Z","intvolume":" 141","abstract":[{"lang":"eng","text":"The single-molecule conductance of silanes is suppressed due to destructive quantum interference in conformations with cisoid dihedral angles along the molecular backbone. Yet, despite the structural similarity, σ-interference effects have not been observed in alkanes. Here we report that the methyl substituents used in silanes are a prerequisite for σ-interference in these systems. Through density functional theory calculations, we find that the destructive interference is not evident to the same extent in nonmethylated silanes. We find the same is true in alkanes as the transmission is significantly suppressed in permethylated cyclic and bicyclic alkanes. Using scanning tunneling microscope break-junction method we determine the single-molecule conductance of functionalized cyclohexane and bicyclo[2.2.2]octane that are found to be higher than that of equivalent permethylated silanes. Rather than the difference between carbon and silicon atoms in the molecular backbones, our calculations reveal that it is primarily the difference between hydrogen and methyl substituents that result in the different electron transport properties of nonmethylated alkanes and permethylated silanes. Chemical substituents play an important role in determining the single-molecule conductance of saturated molecules, and this must be considered when we improve and expand the chemical design of insulating organic molecules."}],"external_id":{"pmid":["31500410"]},"page":"15471-15476","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","pmid":1,"author":[{"full_name":"Garner, Marc H.","last_name":"Garner","first_name":"Marc H."},{"first_name":"Haixing","last_name":"Li","full_name":"Li, Haixing"},{"full_name":"Neupane, Madhav","last_name":"Neupane","first_name":"Madhav"},{"full_name":"Zou, Qi","first_name":"Qi","last_name":"Zou"},{"full_name":"Liu, Taifeng","last_name":"Liu","first_name":"Taifeng"},{"last_name":"Su","first_name":"Timothy A.","full_name":"Su, Timothy A."},{"full_name":"Shangguan, Zhichun","first_name":"Zhichun","last_name":"Shangguan"},{"last_name":"Paley","first_name":"Daniel W.","full_name":"Paley, Daniel W."},{"full_name":"Ng, Fay","last_name":"Ng","first_name":"Fay"},{"last_name":"Xiao","first_name":"Shengxiong","full_name":"Xiao, Shengxiong"},{"full_name":"Nuckolls, Colin","last_name":"Nuckolls","first_name":"Colin"},{"last_name":"Venkataraman","first_name":"Latha","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"},{"full_name":"Solomon, Gemma C.","first_name":"Gemma C.","last_name":"Solomon"}],"citation":{"apa":"Garner, M. H., Li, H., Neupane, M., Zou, Q., Liu, T., Su, T. A., … Solomon, G. C. (2019). Permethylation introduces destructive quantum interference in saturated silanes. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.9b06965","chicago":"Garner, Marc H., Haixing Li, Madhav Neupane, Qi Zou, Taifeng Liu, Timothy A. Su, Zhichun Shangguan, et al. “Permethylation Introduces Destructive Quantum Interference in Saturated Silanes.” Journal of the American Chemical Society. American Chemical Society, 2019. https://doi.org/10.1021/jacs.9b06965.","mla":"Garner, Marc H., et al. “Permethylation Introduces Destructive Quantum Interference in Saturated Silanes.” Journal of the American Chemical Society, vol. 141, no. 39, American Chemical Society, 2019, pp. 15471–76, doi:10.1021/jacs.9b06965.","short":"M.H. Garner, H. Li, M. Neupane, Q. Zou, T. Liu, T.A. Su, Z. Shangguan, D.W. Paley, F. Ng, S. Xiao, C. Nuckolls, L. Venkataraman, G.C. Solomon, Journal of the American Chemical Society 141 (2019) 15471–15476.","ieee":"M. H. Garner et al., “Permethylation introduces destructive quantum interference in saturated silanes,” Journal of the American Chemical Society, vol. 141, no. 39. American Chemical Society, pp. 15471–15476, 2019.","ista":"Garner MH, Li H, Neupane M, Zou Q, Liu T, Su TA, Shangguan Z, Paley DW, Ng F, Xiao S, Nuckolls C, Venkataraman L, Solomon GC. 2019. Permethylation introduces destructive quantum interference in saturated silanes. Journal of the American Chemical Society. 141(39), 15471–15476.","ama":"Garner MH, Li H, Neupane M, et al. Permethylation introduces destructive quantum interference in saturated silanes. Journal of the American Chemical Society. 2019;141(39):15471-15476. doi:10.1021/jacs.9b06965"},"OA_type":"closed access","day":"10","publication_status":"published","month":"09","article_type":"original","status":"public","date_updated":"2024-12-10T12:39:27Z","extern":"1","year":"2019","volume":141,"oa_version":"None","scopus_import":"1","issue":"39","publication":"Journal of the American Chemical Society","type":"journal_article","article_processing_charge":"No","title":"Permethylation introduces destructive quantum interference in saturated silanes","doi":"10.1021/jacs.9b06965","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]}},{"date_created":"2024-09-09T07:43:21Z","quality_controlled":"1","language":[{"iso":"eng"}],"publisher":"Wiley","_id":"17919","date_published":"2019-08-05T00:00:00Z","intvolume":" 58","abstract":[{"lang":"eng","text":"The adsorption geometry and the electronic structure of a Blatter radical derivative on a gold surface were investigated by a combination of high‐resolution noncontact atomic force microscopy and scanning tunneling microscopy. While the hybridization with the substrate hinders direct access to the molecular states, we show that the unpaired‐electron orbital can be probed with Ångström resolution by mapping the spatial distribution of the Kondo resonance. The Blatter derivative features a peculiar delocalization of the unpaired‐electron orbital over some but not all moieties of the molecule, such that the Kondo signature can be related to the spatial fingerprint of the orbital. We observe a direct correspondence between these two quantities, including a pronounced nodal plane structure. Finally, we demonstrate that the spatial signature of the Kondo resonance also persists upon noncovalent dimerization of molecules."}],"external_id":{"pmid":["31115954"]},"page":"11063-11067","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","pmid":1,"author":[{"last_name":"Patera","first_name":"Laerte L.","full_name":"Patera, Laerte L."},{"full_name":"Sokolov, Sophia","first_name":"Sophia","last_name":"Sokolov"},{"full_name":"Low, Jonathan Z.","last_name":"Low","first_name":"Jonathan Z."},{"full_name":"Campos, Luis M.","last_name":"Campos","first_name":"Luis M."},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","first_name":"Latha","last_name":"Venkataraman"},{"last_name":"Repp","first_name":"Jascha","full_name":"Repp, Jascha"}],"citation":{"chicago":"Patera, Laerte L., Sophia Sokolov, Jonathan Z. Low, Luis M. Campos, Latha Venkataraman, and Jascha Repp. “Resolving the Unpaired‐electron Orbital Distribution in a Stable Organic Radical by Kondo Resonance Mapping.” Angewandte Chemie International Edition. Wiley, 2019. https://doi.org/10.1002/anie.201904851.","mla":"Patera, Laerte L., et al. “Resolving the Unpaired‐electron Orbital Distribution in a Stable Organic Radical by Kondo Resonance Mapping.” Angewandte Chemie International Edition, vol. 58, no. 32, Wiley, 2019, pp. 11063–67, doi:10.1002/anie.201904851.","short":"L.L. Patera, S. Sokolov, J.Z. Low, L.M. Campos, L. Venkataraman, J. Repp, Angewandte Chemie International Edition 58 (2019) 11063–11067.","ama":"Patera LL, Sokolov S, Low JZ, Campos LM, Venkataraman L, Repp J. Resolving the unpaired‐electron orbital distribution in a stable organic radical by Kondo resonance mapping. Angewandte Chemie International Edition. 2019;58(32):11063-11067. doi:10.1002/anie.201904851","ista":"Patera LL, Sokolov S, Low JZ, Campos LM, Venkataraman L, Repp J. 2019. Resolving the unpaired‐electron orbital distribution in a stable organic radical by Kondo resonance mapping. Angewandte Chemie International Edition. 58(32), 11063–11067.","ieee":"L. L. Patera, S. Sokolov, J. Z. Low, L. M. Campos, L. Venkataraman, and J. Repp, “Resolving the unpaired‐electron orbital distribution in a stable organic radical by Kondo resonance mapping,” Angewandte Chemie International Edition, vol. 58, no. 32. Wiley, pp. 11063–11067, 2019.","apa":"Patera, L. L., Sokolov, S., Low, J. Z., Campos, L. M., Venkataraman, L., & Repp, J. (2019). Resolving the unpaired‐electron orbital distribution in a stable organic radical by Kondo resonance mapping. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.201904851"},"day":"05","OA_type":"closed access","publication_status":"published","month":"08","article_type":"original","status":"public","date_updated":"2024-12-10T12:41:49Z","extern":"1","year":"2019","volume":58,"oa_version":"None","issue":"32","scopus_import":"1","type":"journal_article","publication":"Angewandte Chemie International Edition","article_processing_charge":"No","title":"Resolving the unpaired‐electron orbital distribution in a stable organic radical by Kondo resonance mapping","doi":"10.1002/anie.201904851","publication_identifier":{"eissn":["1521-3773"],"issn":["1433-7851"]}},{"publication_identifier":{"eissn":["1530-6992"],"issn":["1530-6984"]},"doi":"10.1021/acs.nanolett.9b00275","article_processing_charge":"No","title":"The environment-dependent behavior of the Blatter radical at the metal–molecule interface","type":"journal_article","publication":"Nano Letters","scopus_import":"1","issue":"4","oa_version":"None","year":"2019","extern":"1","volume":19,"status":"public","date_updated":"2024-12-11T07:41:32Z","article_type":"original","month":"03","citation":{"ista":"Low JZ, Kladnik G, Patera LL, Sokolov S, Lovat G, Kumarasamy E, Repp J, Campos LM, Cvetko D, Morgante A, Venkataraman L. 2019. The environment-dependent behavior of the Blatter radical at the metal–molecule interface. Nano Letters. 19(4), 2543–2548.","ieee":"J. Z. Low et al., “The environment-dependent behavior of the Blatter radical at the metal–molecule interface,” Nano Letters, vol. 19, no. 4. American Chemical Society, pp. 2543–2548, 2019.","ama":"Low JZ, Kladnik G, Patera LL, et al. The environment-dependent behavior of the Blatter radical at the metal–molecule interface. Nano Letters. 2019;19(4):2543-2548. doi:10.1021/acs.nanolett.9b00275","short":"J.Z. Low, G. Kladnik, L.L. Patera, S. Sokolov, G. Lovat, E. Kumarasamy, J. Repp, L.M. Campos, D. Cvetko, A. Morgante, L. Venkataraman, Nano Letters 19 (2019) 2543–2548.","chicago":"Low, Jonathan Z., Gregor Kladnik, Laerte L. Patera, Sophia Sokolov, Giacomo Lovat, Elango Kumarasamy, Jascha Repp, et al. “The Environment-Dependent Behavior of the Blatter Radical at the Metal–Molecule Interface.” Nano Letters. American Chemical Society, 2019. https://doi.org/10.1021/acs.nanolett.9b00275.","mla":"Low, Jonathan Z., et al. “The Environment-Dependent Behavior of the Blatter Radical at the Metal–Molecule Interface.” Nano Letters, vol. 19, no. 4, American Chemical Society, 2019, pp. 2543–48, doi:10.1021/acs.nanolett.9b00275.","apa":"Low, J. Z., Kladnik, G., Patera, L. L., Sokolov, S., Lovat, G., Kumarasamy, E., … Venkataraman, L. (2019). The environment-dependent behavior of the Blatter radical at the metal–molecule interface. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.9b00275"},"author":[{"last_name":"Low","first_name":"Jonathan Z.","full_name":"Low, Jonathan Z."},{"full_name":"Kladnik, Gregor","last_name":"Kladnik","first_name":"Gregor"},{"first_name":"Laerte L.","last_name":"Patera","full_name":"Patera, Laerte L."},{"first_name":"Sophia","last_name":"Sokolov","full_name":"Sokolov, Sophia"},{"first_name":"Giacomo","last_name":"Lovat","full_name":"Lovat, Giacomo"},{"last_name":"Kumarasamy","first_name":"Elango","full_name":"Kumarasamy, Elango"},{"full_name":"Repp, Jascha","first_name":"Jascha","last_name":"Repp"},{"last_name":"Campos","first_name":"Luis M.","full_name":"Campos, Luis M."},{"last_name":"Cvetko","first_name":"Dean","full_name":"Cvetko, Dean"},{"full_name":"Morgante, Alberto","last_name":"Morgante","first_name":"Alberto"},{"first_name":"Latha","last_name":"Venkataraman","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","pmid":1,"publication_status":"published","day":"18","OA_type":"closed access","page":"2543-2548","abstract":[{"lang":"eng","text":"Stable organic radicals have potential applications for building organic spintronic devices. To fulfill this potential, the interface between organic radicals and metal electrodes must be well characterized. Here, through a combined effort that includes synthesis, scanning tunneling microscopy, X-ray spectroscopy, and single-molecule conductance measurements, we comprehensively probe the electronic interaction between gold metal electrodes and a benchtop stable radical—the Blatter radical. We find that despite its open-shell character and having a half-filled orbital close to the Fermi level, the radical is stable on a gold substrate under ultrahigh vacuum. We observe a Kondo resonance arising from the radical and spectroscopic signatures of its half-filled orbitals. By contrast, in solution-based single-molecule conductance measurements, the radical character is lost through oxidation with charge transfer occurring from the molecule to metal. Our experiments show that the stability of radical states can be very sensitive to the environment around the molecule."}],"intvolume":" 19","external_id":{"pmid":["30884240"]},"_id":"17920","publisher":"American Chemical Society","date_published":"2019-03-18T00:00:00Z","quality_controlled":"1","language":[{"iso":"eng"}],"date_created":"2024-09-09T07:44:44Z"},{"page":"2555-2561","day":"01","OA_type":"closed access","publication_status":"published","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","pmid":1,"author":[{"first_name":"E-Dean","last_name":"Fung","full_name":"Fung, E-Dean"},{"first_name":"David","last_name":"Gelbwaser","full_name":"Gelbwaser, David"},{"full_name":"Taylor, Jeffrey","last_name":"Taylor","first_name":"Jeffrey"},{"full_name":"Low, Jonathan","first_name":"Jonathan","last_name":"Low"},{"full_name":"Xia, Jianlong","last_name":"Xia","first_name":"Jianlong"},{"full_name":"Davydenko, Iryna","first_name":"Iryna","last_name":"Davydenko"},{"first_name":"Luis M.","last_name":"Campos","full_name":"Campos, Luis M."},{"full_name":"Marder, Seth","first_name":"Seth","last_name":"Marder"},{"last_name":"Peskin","first_name":"Uri","full_name":"Peskin, Uri"},{"full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","first_name":"Latha","last_name":"Venkataraman"}],"citation":{"chicago":"Fung, E-Dean, David Gelbwaser, Jeffrey Taylor, Jonathan Low, Jianlong Xia, Iryna Davydenko, Luis M. Campos, Seth Marder, Uri Peskin, and Latha Venkataraman. “Breaking down Resonance: Nonlinear Transport and the Breakdown of Coherent Tunneling Models in Single Molecule Junctions.” Nano Letters. American Chemical Society, 2019. https://doi.org/10.1021/acs.nanolett.9b00316.","mla":"Fung, E. Dean, et al. “Breaking down Resonance: Nonlinear Transport and the Breakdown of Coherent Tunneling Models in Single Molecule Junctions.” Nano Letters, vol. 19, no. 4, American Chemical Society, 2019, pp. 2555–61, doi:10.1021/acs.nanolett.9b00316.","ista":"Fung E-D, Gelbwaser D, Taylor J, Low J, Xia J, Davydenko I, Campos LM, Marder S, Peskin U, Venkataraman L. 2019. Breaking down resonance: Nonlinear transport and the breakdown of coherent tunneling models in single molecule junctions. Nano Letters. 19(4), 2555–2561.","ieee":"E.-D. Fung et al., “Breaking down resonance: Nonlinear transport and the breakdown of coherent tunneling models in single molecule junctions,” Nano Letters, vol. 19, no. 4. American Chemical Society, pp. 2555–2561, 2019.","ama":"Fung E-D, Gelbwaser D, Taylor J, et al. Breaking down resonance: Nonlinear transport and the breakdown of coherent tunneling models in single molecule junctions. Nano Letters. 2019;19(4):2555-2561. doi:10.1021/acs.nanolett.9b00316","short":"E.-D. Fung, D. Gelbwaser, J. Taylor, J. Low, J. Xia, I. Davydenko, L.M. Campos, S. Marder, U. Peskin, L. Venkataraman, Nano Letters 19 (2019) 2555–2561.","apa":"Fung, E.-D., Gelbwaser, D., Taylor, J., Low, J., Xia, J., Davydenko, I., … Venkataraman, L. (2019). Breaking down resonance: Nonlinear transport and the breakdown of coherent tunneling models in single molecule junctions. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.9b00316"},"month":"03","article_type":"original","date_created":"2024-09-09T07:46:01Z","language":[{"iso":"eng"}],"quality_controlled":"1","date_published":"2019-03-01T00:00:00Z","publisher":"American Chemical Society","_id":"17921","external_id":{"pmid":["30821465"]},"intvolume":" 19","abstract":[{"text":"The promise of the field of single-molecule electronics is to reveal a new class of quantum devices that leverages the strong electronic interactions inherent to subnanometer scale systems. Here, we form Au–molecule–Au junctions using a custom scanning tunneling microscope and explore charge transport through current–voltage measurements. We focus on the resonant tunneling regime of two molecules, one that is primarily an electron conductor and one that conducts primarily holes. We find that in the high bias regime, junctions that do not rupture demonstrate reproducible and pronounced negative differential resistance (NDR)-like features followed by hysteresis with peak-to-valley ratios exceeding 100 in some cases. Furthermore, we show that both junction rupture and NDR are induced by charging of the molecular orbital dominating transport and find that the charging is reversible at lower bias and with time with kinetic time scales on the order of hundreds of milliseconds. We argue that these results cannot be explained by existing models of charge transport and likely require theoretical advances describing the transition from coherent to sequential tunneling. Our work also suggests new rules for operating single-molecule devices at high bias to obtain highly nonlinear behavior.","lang":"eng"}],"type":"journal_article","publication":"Nano Letters","title":"Breaking down resonance: Nonlinear transport and the breakdown of coherent tunneling models in single molecule junctions","article_processing_charge":"No","doi":"10.1021/acs.nanolett.9b00316","publication_identifier":{"eissn":["1530-6992"],"issn":["1530-6984"]},"date_updated":"2024-12-11T07:48:13Z","status":"public","volume":19,"extern":"1","year":"2019","oa_version":"None","scopus_import":"1","issue":"4"},{"date_published":"2019-04-01T00:00:00Z","publisher":"Springer Nature","_id":"17922","external_id":{"pmid":["30833721"]},"intvolume":" 11","abstract":[{"lang":"eng","text":"Gold–thiol contacts are ubiquitous across the physical and biological sciences in connecting organic molecules to surfaces. When thiols bind to gold in self-assembled monolayers (SAMs) the fate of the hydrogen remains a subject of profound debate—with implications for our understanding of their physical properties, spectroscopic features and formation mechanism(s). Exploiting measurements of the transmission through a molecular junction, which is highly sensitive to the nature of the molecule–electrode contact, we demonstrate here that the nature of the gold–sulfur bond in SAMs can be probed via single-molecule conductance measurements. Critically, we find that SAM measurements of dithiol-terminated molecular junctions yield a significantly lower conductance than solution measurements of the same molecule. Through numerous control experiments, conductance noise analysis and transport calculations based on density functional theory, we show that the gold–sulfur bond in SAMs prepared from the solution deposition of dithiols does not have chemisorbed character, which strongly suggests that under these widely used preparation conditions the hydrogen is retained."}],"date_created":"2024-09-09T07:48:03Z","quality_controlled":"1","language":[{"iso":"eng"}],"month":"04","article_type":"original","page":"351-358","day":"01","OA_type":"closed access","publication_status":"published","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","pmid":1,"citation":{"apa":"Inkpen, M. S., Liu, Z., Li, H., Campos, L. M., Neaton, J. B., & Venkataraman, L. (2019). Non-chemisorbed gold–sulfur binding prevails in self-assembled monolayers. Nature Chemistry. Springer Nature. https://doi.org/10.1038/s41557-019-0216-y","short":"M.S. Inkpen, Z. Liu, H. Li, L.M. Campos, J.B. Neaton, L. Venkataraman, Nature Chemistry 11 (2019) 351–358.","ista":"Inkpen MS, Liu Z, Li H, Campos LM, Neaton JB, Venkataraman L. 2019. Non-chemisorbed gold–sulfur binding prevails in self-assembled monolayers. Nature Chemistry. 11(4), 351–358.","ama":"Inkpen MS, Liu Z, Li H, Campos LM, Neaton JB, Venkataraman L. Non-chemisorbed gold–sulfur binding prevails in self-assembled monolayers. Nature Chemistry. 2019;11(4):351-358. doi:10.1038/s41557-019-0216-y","ieee":"M. S. Inkpen, Z. Liu, H. Li, L. M. Campos, J. B. Neaton, and L. Venkataraman, “Non-chemisorbed gold–sulfur binding prevails in self-assembled monolayers,” Nature Chemistry, vol. 11, no. 4. Springer Nature, pp. 351–358, 2019.","mla":"Inkpen, Michael S., et al. “Non-Chemisorbed Gold–Sulfur Binding Prevails in Self-Assembled Monolayers.” Nature Chemistry, vol. 11, no. 4, Springer Nature, 2019, pp. 351–58, doi:10.1038/s41557-019-0216-y.","chicago":"Inkpen, Michael S., Zhen–Fei Liu, Haixing Li, Luis M. Campos, Jeffrey B. Neaton, and Latha Venkataraman. “Non-Chemisorbed Gold–Sulfur Binding Prevails in Self-Assembled Monolayers.” Nature Chemistry. Springer Nature, 2019. https://doi.org/10.1038/s41557-019-0216-y."},"author":[{"last_name":"Inkpen","first_name":"Michael S.","full_name":"Inkpen, Michael S."},{"first_name":"Zhen–Fei","last_name":"Liu","full_name":"Liu, Zhen–Fei"},{"last_name":"Li","first_name":"Haixing","full_name":"Li, Haixing"},{"last_name":"Campos","first_name":"Luis M.","full_name":"Campos, Luis M."},{"last_name":"Neaton","first_name":"Jeffrey B.","full_name":"Neaton, Jeffrey B."},{"first_name":"Latha","last_name":"Venkataraman","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"}],"oa_version":"None","scopus_import":"1","issue":"4","date_updated":"2024-12-11T08:00:35Z","status":"public","volume":11,"year":"2019","extern":"1","doi":"10.1038/s41557-019-0216-y","publication_identifier":{"issn":["1755-4330"],"eissn":["1755-4349"]},"type":"journal_article","publication":"Nature Chemistry","title":"Non-chemisorbed gold–sulfur binding prevails in self-assembled monolayers","article_processing_charge":"No"},{"date_created":"2024-09-09T07:49:24Z","tmp":{"short":"CC BY-NC (3.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc/3.0/legalcode","image":"/images/cc_by_nc.png","name":"Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)"},"quality_controlled":"1","language":[{"iso":"eng"}],"_id":"17924","publisher":"Royal Society of Chemistry","date_published":"2019-09-16T00:00:00Z","abstract":[{"lang":"eng","text":"We demonstrate that imidazole based π–π stacked dimers form strong and efficient conductance pathways in single-molecule junctions using the scanning-tunneling microscope-break junction (STM-BJ) technique and density functional theory-based calculations. We first characterize an imidazole-gold contact by measuring the conductance of imidazolyl-terminated alkanes (im-N-im, N = 3–6). We show that the conductance of these alkanes decays exponentially with increasing length, indicating that the mechanism for electron transport is through tunneling or super-exchange. We also reveal that π–π stacked dimers can be formed between imidazoles and have better coupling than through-bond tunneling. These experimental results are rationalized by calculations of molecular junction transmission using non-equilibrium Green's function formalism. This study verifies the capability of imidazole as a Au-binding ligand to form stable single- and π-stacked molecule junctions at room temperature."}],"intvolume":" 10","OA_place":"publisher","external_id":{"pmid":["32055356"]},"page":"9998-10002","author":[{"first_name":"Tianren","last_name":"Fu","full_name":"Fu, Tianren"},{"first_name":"Shanelle","last_name":"Smith","full_name":"Smith, Shanelle"},{"full_name":"Camarasa-Gómez, María","last_name":"Camarasa-Gómez","first_name":"María"},{"last_name":"Yu","first_name":"Xiaofang","full_name":"Yu, Xiaofang"},{"last_name":"Xue","first_name":"Jiayi","full_name":"Xue, Jiayi"},{"full_name":"Nuckolls, Colin","first_name":"Colin","last_name":"Nuckolls"},{"full_name":"Evers, Ferdinand","first_name":"Ferdinand","last_name":"Evers"},{"last_name":"Venkataraman","first_name":"Latha","orcid":"0000-0002-6957-6089","full_name":"Venkataraman, Latha","id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf"},{"last_name":"Wei","first_name":"Sujun","full_name":"Wei, Sujun"}],"citation":{"short":"T. Fu, S. Smith, M. Camarasa-Gómez, X. Yu, J. Xue, C. Nuckolls, F. Evers, L. Venkataraman, S. Wei, Chemical Science 10 (2019) 9998–10002.","ama":"Fu T, Smith S, Camarasa-Gómez M, et al. Enhanced coupling through π-stacking in imidazole-based molecular junctions. Chemical Science. 2019;10(43):9998-10002. doi:10.1039/c9sc03760h","ista":"Fu T, Smith S, Camarasa-Gómez M, Yu X, Xue J, Nuckolls C, Evers F, Venkataraman L, Wei S. 2019. Enhanced coupling through π-stacking in imidazole-based molecular junctions. Chemical Science. 10(43), 9998–10002.","ieee":"T. Fu et al., “Enhanced coupling through π-stacking in imidazole-based molecular junctions,” Chemical Science, vol. 10, no. 43. Royal Society of Chemistry, pp. 9998–10002, 2019.","chicago":"Fu, Tianren, Shanelle Smith, María Camarasa-Gómez, Xiaofang Yu, Jiayi Xue, Colin Nuckolls, Ferdinand Evers, Latha Venkataraman, and Sujun Wei. “Enhanced Coupling through π-Stacking in Imidazole-Based Molecular Junctions.” Chemical Science. Royal Society of Chemistry, 2019. https://doi.org/10.1039/c9sc03760h.","mla":"Fu, Tianren, et al. “Enhanced Coupling through π-Stacking in Imidazole-Based Molecular Junctions.” Chemical Science, vol. 10, no. 43, Royal Society of Chemistry, 2019, pp. 9998–10002, doi:10.1039/c9sc03760h.","apa":"Fu, T., Smith, S., Camarasa-Gómez, M., Yu, X., Xue, J., Nuckolls, C., … Wei, S. (2019). Enhanced coupling through π-stacking in imidazole-based molecular junctions. Chemical Science. Royal Society of Chemistry. https://doi.org/10.1039/c9sc03760h"},"pmid":1,"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_status":"published","OA_type":"gold","day":"16","oa":1,"article_type":"original","month":"09","status":"public","date_updated":"2024-12-11T08:08:34Z","DOAJ_listed":"1","year":"2019","extern":"1","volume":10,"oa_version":"Published Version","scopus_import":"1","issue":"43","publication":"Chemical Science","type":"journal_article","article_processing_charge":"Yes","title":"Enhanced coupling through π-stacking in imidazole-based molecular junctions","doi":"10.1039/c9sc03760h","license":"https://creativecommons.org/licenses/by-nc/3.0/","main_file_link":[{"url":"https://doi.org/10.1039/C9SC03760H","open_access":"1"}],"publication_identifier":{"eissn":["2041-6539"],"issn":["2041-6520"]}},{"oa_version":"Published Version","scopus_import":"1","issue":"40","date_updated":"2024-12-11T08:12:09Z","status":"public","volume":10,"year":"2019","extern":"1","DOAJ_listed":"1","doi":"10.1039/c9sc03144h","publication_identifier":{"eissn":["2041-6539"],"issn":["2041-6520"]},"type":"journal_article","publication":"Chemical Science","title":"The importance of intramolecular conductivity in three dimensional molecular solids","article_processing_charge":"Yes","date_published":"2019-08-28T00:00:00Z","publisher":"Royal Society of Chemistry","_id":"17925","external_id":{"pmid":["32110297"]},"OA_place":"publisher","intvolume":" 10","abstract":[{"text":"Recent years have seen tremendous progress towards understanding the relation between the molecular structure and function of organic field effect transistors. The metrics for organic field effect transistors, which are characterized by mobility and the on/off ratio, are known to be enhanced when the intermolecular interaction is strong and the intramolecular reorganization energy is low. While these requirements are adequate when describing organic field effect transistors with simple and planar aromatic molecular components, they are insufficient for complex building blocks, which have the potential to localize a carrier on the molecule. Here, we show that intramolecular conductivity can play a role in controlling device characteristics of organic field effect transistors made with macrocycle building blocks. We use two isomeric macrocyclic semiconductors that consist of perylene diimides linked with bithiophenes and find that the trans-linked macrocycle has a higher mobility than the cis-based device. Through a combination of single molecule junction conductance measurements of the components of the macrocycles, control experiments with acyclic counterparts to the macrocycles, and analyses of each of the materials using spectroscopy, electrochemistry, and density functional theory, we attribute the difference in electron mobility of the OFETs created with the two isomers to the difference in intramolecular conductivity of the two macrocycles.","lang":"eng"}],"date_created":"2024-09-09T07:51:38Z","tmp":{"short":"CC BY-NC (3.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc/3.0/legalcode","image":"/images/cc_by_nc.png","name":"Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0)"},"quality_controlled":"1","language":[{"iso":"eng"}],"month":"08","article_type":"original","page":"9339-9344","day":"28","OA_type":"gold","publication_status":"published","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","pmid":1,"citation":{"apa":"Ball, M. L., Zhang, B., Fu, T., Schattman, A. M., Paley, D. W., Ng, F., … Steigerwald, M. L. (2019). The importance of intramolecular conductivity in three dimensional molecular solids. Chemical Science. Royal Society of Chemistry. https://doi.org/10.1039/c9sc03144h","chicago":"Ball, Melissa L., Boyuan Zhang, Tianren Fu, Ayden M. Schattman, Daniel W. Paley, Fay Ng, Latha Venkataraman, Colin Nuckolls, and Michael L. Steigerwald. “The Importance of Intramolecular Conductivity in Three Dimensional Molecular Solids.” Chemical Science. Royal Society of Chemistry, 2019. https://doi.org/10.1039/c9sc03144h.","mla":"Ball, Melissa L., et al. “The Importance of Intramolecular Conductivity in Three Dimensional Molecular Solids.” Chemical Science, vol. 10, no. 40, Royal Society of Chemistry, 2019, pp. 9339–44, doi:10.1039/c9sc03144h.","ama":"Ball ML, Zhang B, Fu T, et al. The importance of intramolecular conductivity in three dimensional molecular solids. Chemical Science. 2019;10(40):9339-9344. doi:10.1039/c9sc03144h","ieee":"M. L. Ball et al., “The importance of intramolecular conductivity in three dimensional molecular solids,” Chemical Science, vol. 10, no. 40. Royal Society of Chemistry, pp. 9339–9344, 2019.","ista":"Ball ML, Zhang B, Fu T, Schattman AM, Paley DW, Ng F, Venkataraman L, Nuckolls C, Steigerwald ML. 2019. The importance of intramolecular conductivity in three dimensional molecular solids. Chemical Science. 10(40), 9339–9344.","short":"M.L. Ball, B. Zhang, T. Fu, A.M. Schattman, D.W. Paley, F. Ng, L. Venkataraman, C. Nuckolls, M.L. Steigerwald, Chemical Science 10 (2019) 9339–9344."},"author":[{"full_name":"Ball, Melissa L.","last_name":"Ball","first_name":"Melissa L."},{"full_name":"Zhang, Boyuan","last_name":"Zhang","first_name":"Boyuan"},{"first_name":"Tianren","last_name":"Fu","full_name":"Fu, Tianren"},{"first_name":"Ayden M.","last_name":"Schattman","full_name":"Schattman, Ayden M."},{"first_name":"Daniel W.","last_name":"Paley","full_name":"Paley, Daniel W."},{"last_name":"Ng","first_name":"Fay","full_name":"Ng, Fay"},{"id":"9ebb78a5-cc0d-11ee-8322-fae086a32caf","full_name":"Venkataraman, Latha","orcid":"0000-0002-6957-6089","first_name":"Latha","last_name":"Venkataraman"},{"first_name":"Colin","last_name":"Nuckolls","full_name":"Nuckolls, Colin"},{"full_name":"Steigerwald, Michael L.","first_name":"Michael L.","last_name":"Steigerwald"}]}]