[{"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2023-08-03T06:48:34Z","ddc":["510"],"doi":"10.5281/ZENODO.5733408","related_material":{"record":[{"relation":"used_in_publication","id":"11180","status":"public"}],"link":[{"url":"https://github.com/npostnikova/mq-based-schedulers/tree/v1.1","relation":"software"}]},"day":"03","type":"research_data_reference","author":[{"last_name":"Postnikova","full_name":"Postnikova, Anastasiia","first_name":"Anastasiia"},{"first_name":"Nikita","full_name":"Koval, Nikita","last_name":"Koval","id":"2F4DB10C-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Nadiradze, Giorgi","first_name":"Giorgi","last_name":"Nadiradze","id":"3279A00C-F248-11E8-B48F-1D18A9856A87"},{"orcid":"0000-0003-3650-940X","id":"4A899BFC-F248-11E8-B48F-1D18A9856A87","last_name":"Alistarh","full_name":"Alistarh, Dan-Adrian","first_name":"Dan-Adrian"}],"oa_version":"Published Version","year":"2022","citation":{"mla":"Postnikova, Anastasiia, et al. <i>Multi-Queues Can Be State-of-the-Art Priority Schedulers</i>. Zenodo, 2022, doi:<a href=\"https://doi.org/10.5281/ZENODO.5733408\">10.5281/ZENODO.5733408</a>.","chicago":"Postnikova, Anastasiia, Nikita Koval, Giorgi Nadiradze, and Dan-Adrian Alistarh. “Multi-Queues Can Be State-of-the-Art Priority Schedulers.” Zenodo, 2022. <a href=\"https://doi.org/10.5281/ZENODO.5733408\">https://doi.org/10.5281/ZENODO.5733408</a>.","ista":"Postnikova A, Koval N, Nadiradze G, Alistarh D-A. 2022. Multi-queues can be state-of-the-art priority schedulers, Zenodo, <a href=\"https://doi.org/10.5281/ZENODO.5733408\">10.5281/ZENODO.5733408</a>.","ieee":"A. Postnikova, N. Koval, G. Nadiradze, and D.-A. Alistarh, “Multi-queues can be state-of-the-art priority schedulers.” Zenodo, 2022.","ama":"Postnikova A, Koval N, Nadiradze G, Alistarh D-A. Multi-queues can be state-of-the-art priority schedulers. 2022. doi:<a href=\"https://doi.org/10.5281/ZENODO.5733408\">10.5281/ZENODO.5733408</a>","apa":"Postnikova, A., Koval, N., Nadiradze, G., &#38; Alistarh, D.-A. (2022). Multi-queues can be state-of-the-art priority schedulers. Zenodo. <a href=\"https://doi.org/10.5281/ZENODO.5733408\">https://doi.org/10.5281/ZENODO.5733408</a>","short":"A. Postnikova, N. Koval, G. Nadiradze, D.-A. Alistarh, (2022)."},"title":"Multi-queues can be state-of-the-art priority schedulers","department":[{"_id":"DaAl"}],"status":"public","publisher":"Zenodo","oa":1,"main_file_link":[{"url":"https://doi.org/10.5281/zenodo.5813846","open_access":"1"}],"month":"01","date_published":"2022-01-03T00:00:00Z","_id":"13076","abstract":[{"lang":"eng","text":"The source code for replicating experiments presented in the paper.\r\n\r\nThe implementation of the designed priority schedulers can be found in Galois-2.2.1/include/Galois/WorkList/:\r\nStealingMultiQueue.h is the StealingMultiQueue.\r\nMQOptimized/ contains MQ Optimized variants.\r\n\r\nWe provide images that contain all the dependencies and datasets. Images can be pulled from npostnikova/mq-based-schedulers repository, or downloaded from Zenodo. See readme for more detail."}],"date_created":"2023-05-23T17:05:40Z","article_processing_charge":"No"},{"publisher":"ML Research Press","status":"public","intvolume":"       199","publication":"Proceedings of Machine Learning Research","department":[{"_id":"TiVo"}],"quality_controlled":"1","page":"518-531","date_created":"2023-07-16T22:01:12Z","month":"12","project":[{"_id":"0aacfa84-070f-11eb-9043-d7eb2c709234","call_identifier":"H2020","grant_number":"819603","name":"Learning the shape of synaptic plasticity rules for neuronal architectures and function through machine learning."}],"acknowledgement":"The authors would like to thank members of the Vogels lab and Manohar lab, as well as Adam Packer, Andrew Saxe, Stefano Sarao Mannelli and Jacob Bakermans for fruitful discussions and comments on earlier versions of the manuscript.\r\nTLvdP was supported by funding from the Biotechnology and Biological Sciences Research Council (BBSRC) [grant number BB/M011224/1]. TPV was supported by an ERC Consolidator Grant (SYNAPSEEK). SGM was funded by a MRC Clinician Scientist Fellowship MR/P00878X and Leverhulme Grant RPG-2018-310.","ddc":["000"],"language":[{"iso":"eng"}],"title":"Predictive learning enables neural networks to learn complex working memory tasks","citation":{"mla":"Van Der Plas, Thijs L., et al. “Predictive Learning Enables Neural Networks to Learn Complex Working Memory Tasks.” <i>Proceedings of Machine Learning Research</i>, vol. 199, ML Research Press, 2022, pp. 518–31.","ieee":"T. L. Van Der Plas, T. P. Vogels, and S. G. Manohar, “Predictive learning enables neural networks to learn complex working memory tasks,” in <i>Proceedings of Machine Learning Research</i>, 2022, vol. 199, pp. 518–531.","ista":"Van Der Plas TL, Vogels TP, Manohar SG. 2022. Predictive learning enables neural networks to learn complex working memory tasks. Proceedings of Machine Learning Research. vol. 199, 518–531.","chicago":"Van Der Plas, Thijs L., Tim P Vogels, and Sanjay G. Manohar. “Predictive Learning Enables Neural Networks to Learn Complex Working Memory Tasks.” In <i>Proceedings of Machine Learning Research</i>, 199:518–31. ML Research Press, 2022.","apa":"Van Der Plas, T. L., Vogels, T. P., &#38; Manohar, S. G. (2022). Predictive learning enables neural networks to learn complex working memory tasks. In <i>Proceedings of Machine Learning Research</i> (Vol. 199, pp. 518–531). ML Research Press.","ama":"Van Der Plas TL, Vogels TP, Manohar SG. Predictive learning enables neural networks to learn complex working memory tasks. In: <i>Proceedings of Machine Learning Research</i>. Vol 199. ML Research Press; 2022:518-531.","short":"T.L. Van Der Plas, T.P. Vogels, S.G. Manohar, in:, Proceedings of Machine Learning Research, ML Research Press, 2022, pp. 518–531."},"ec_funded":1,"type":"conference","author":[{"first_name":"Thijs L.","full_name":"Van Der Plas, Thijs L.","last_name":"Van Der Plas"},{"full_name":"Vogels, Tim P","first_name":"Tim P","last_name":"Vogels","id":"CB6FF8D2-008F-11EA-8E08-2637E6697425","orcid":"0000-0003-3295-6181"},{"full_name":"Manohar, Sanjay G.","first_name":"Sanjay G.","last_name":"Manohar"}],"day":"01","oa":1,"publication_status":"published","volume":199,"file_date_updated":"2023-07-18T06:32:38Z","article_processing_charge":"No","date_published":"2022-12-01T00:00:00Z","_id":"13239","abstract":[{"text":"Brains are thought to engage in predictive learning - learning to predict upcoming stimuli - to construct an internal model of their environment. This is especially notable for spatial navigation, as first described by Tolman’s latent learning tasks. However, predictive learning has also been observed in sensory cortex, in settings unrelated to spatial navigation. Apart from normative frameworks such as active inference or efficient coding, what could be the utility of learning to predict the patterns of occurrence of correlated stimuli? Here we show that prediction, and thereby the construction of an internal model of sequential stimuli, can bootstrap the learning process of a working memory task in a recurrent neural network. We implemented predictive learning alongside working memory match-tasks, and networks emerged to solve the prediction task first by encoding information across time to predict upcoming stimuli, and then eavesdropped on this solution to solve the matching task. Eavesdropping was most beneficial when neural resources were limited. Hence, predictive learning acts as a general neural mechanism to learn to store sensory information that can later be essential for working memory tasks.","lang":"eng"}],"file":[{"file_id":"13243","relation":"main_file","content_type":"application/pdf","date_created":"2023-07-18T06:32:38Z","success":1,"creator":"dernst","file_size":585135,"file_name":"2022_PMLR_vanderPlas.pdf","checksum":"7530a93ef42e10b4db1e5e4b69796e93","access_level":"open_access","date_updated":"2023-07-18T06:32:38Z"}],"publication_identifier":{"eissn":["2640-3498"]},"scopus_import":"1","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2023-07-18T06:36:28Z","has_accepted_license":"1","year":"2022","oa_version":"Published Version"},{"publisher":"Frontiers Media","status":"public","intvolume":"         3","department":[{"_id":"JiFr"}],"quality_controlled":"1","publication":"Frontiers in Fungal Biology","date_created":"2023-07-16T22:01:12Z","month":"10","acknowledgement":"The research leading to these results received funding from the European Research Council under the European Union’s Seventh Framework Programme ERC-2013-STG (grant agreement: 335691), the Austrian Science Fund (I 3033-B22), the Austrian Academy of Sciences, and the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy EXC-2070-390732324 (PhenoRob) and DFG grant (DJ 64/5-1).\r\nWe would like to thank the GMI/IMBA/IMP core facilities for their excellent technical support. We would like to acknowledge Dr. Sinéad A. O’Sullivan from DZNE, University of Bonn for providing anti-GFP antibodies. The authors are thankful to the Excellence University of Bonn for providing infrastructure and instrumentation facilities at the INRES-Plant Pathology department.","doi":"10.3389/ffunb.2022.1029114","ddc":["579"],"language":[{"iso":"eng"}],"title":"Tetracycline-controlled (TetON) gene expression system for the smut fungus Ustilago maydis","citation":{"ista":"Ingole KD, Nagarajan N, Uhse S, Giannini C, Djamei A. 2022. Tetracycline-controlled (TetON) gene expression system for the smut fungus Ustilago maydis. Frontiers in Fungal Biology. 3, 1029114.","ieee":"K. D. Ingole, N. Nagarajan, S. Uhse, C. Giannini, and A. Djamei, “Tetracycline-controlled (TetON) gene expression system for the smut fungus Ustilago maydis,” <i>Frontiers in Fungal Biology</i>, vol. 3. Frontiers Media, 2022.","chicago":"Ingole, Kishor D., Nithya Nagarajan, Simon Uhse, Caterina Giannini, and Armin Djamei. “Tetracycline-Controlled (TetON) Gene Expression System for the Smut Fungus Ustilago Maydis.” <i>Frontiers in Fungal Biology</i>. Frontiers Media, 2022. <a href=\"https://doi.org/10.3389/ffunb.2022.1029114\">https://doi.org/10.3389/ffunb.2022.1029114</a>.","mla":"Ingole, Kishor D., et al. “Tetracycline-Controlled (TetON) Gene Expression System for the Smut Fungus Ustilago Maydis.” <i>Frontiers in Fungal Biology</i>, vol. 3, 1029114, Frontiers Media, 2022, doi:<a href=\"https://doi.org/10.3389/ffunb.2022.1029114\">10.3389/ffunb.2022.1029114</a>.","short":"K.D. Ingole, N. Nagarajan, S. Uhse, C. Giannini, A. Djamei, Frontiers in Fungal Biology 3 (2022).","apa":"Ingole, K. D., Nagarajan, N., Uhse, S., Giannini, C., &#38; Djamei, A. (2022). Tetracycline-controlled (TetON) gene expression system for the smut fungus Ustilago maydis. <i>Frontiers in Fungal Biology</i>. Frontiers Media. <a href=\"https://doi.org/10.3389/ffunb.2022.1029114\">https://doi.org/10.3389/ffunb.2022.1029114</a>","ama":"Ingole KD, Nagarajan N, Uhse S, Giannini C, Djamei A. Tetracycline-controlled (TetON) gene expression system for the smut fungus Ustilago maydis. <i>Frontiers in Fungal Biology</i>. 2022;3. doi:<a href=\"https://doi.org/10.3389/ffunb.2022.1029114\">10.3389/ffunb.2022.1029114</a>"},"type":"journal_article","author":[{"last_name":"Ingole","full_name":"Ingole, Kishor D.","first_name":"Kishor D."},{"last_name":"Nagarajan","full_name":"Nagarajan, Nithya","first_name":"Nithya"},{"full_name":"Uhse, Simon","first_name":"Simon","last_name":"Uhse"},{"last_name":"Giannini","first_name":"Caterina","full_name":"Giannini, Caterina","id":"e3fdddd5-f6e0-11ea-865d-ca99ee6367f4"},{"full_name":"Djamei, Armin","first_name":"Armin","last_name":"Djamei"}],"day":"19","oa":1,"publication_status":"published","license":"https://creativecommons.org/licenses/by/4.0/","volume":3,"tmp":{"legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","image":"/images/cc_by.png","short":"CC BY (4.0)"},"file_date_updated":"2023-07-17T11:46:34Z","article_processing_charge":"Yes","_id":"13240","abstract":[{"lang":"eng","text":"Ustilago maydis is a biotrophic phytopathogenic fungus that causes corn smut disease. As a well-established model system, U. maydis is genetically fully accessible with large omics datasets available and subject to various biological questions ranging from DNA-repair, RNA-transport, and protein secretion to disease biology. For many genetic approaches, tight control of transgene regulation is important. Here we established an optimised version of the Tetracycline-ON (TetON) system for U. maydis. We demonstrate the Tetracycline concentration-dependent expression of fluorescent protein transgenes and the system’s suitability for the induced expression of the toxic protein BCL2 Associated X-1 (Bax1). The Golden Gate compatible vector system contains a native minimal promoter from the mating factor a-1 encoding gene, mfa with ten copies of the tet-regulated operator (tetO) and a codon optimised Tet-repressor (tetR*) which is translationally fused to the native transcriptional corepressor Mql1 (UMAG_05501). The metabolism-independent transcriptional regulator system is functional both, in liquid culture as well as on solid media in the presence of the inducer and can become a useful tool for toxin-antitoxin studies, identification of antifungal proteins, and to study functions of toxic gene products in Ustilago maydis."}],"date_published":"2022-10-19T00:00:00Z","file":[{"checksum":"2254e0119c0749d6f7237084fefcece6","access_level":"open_access","date_updated":"2023-07-17T11:46:34Z","file_size":27966699,"creator":"dernst","file_name":"2023_FrontiersFungalBio_Ingole.pdf","date_created":"2023-07-17T11:46:34Z","success":1,"file_id":"13242","relation":"main_file","content_type":"application/pdf"}],"article_number":"1029114","publication_identifier":{"eissn":["2673-6128"]},"user_id":"3E5EF7F0-F248-11E8-B48F-1D18A9856A87","date_updated":"2024-03-06T14:01:57Z","scopus_import":"1","has_accepted_license":"1","oa_version":"Published Version","year":"2022","article_type":"original"},{"page":"59-83","month":"12","date_created":"2023-07-16T22:01:13Z","publisher":"ML Research Press","department":[{"_id":"ChLa"}],"quality_controlled":"1","publication":"Proceedings of Machine Learning Research","status":"public","intvolume":"       171","citation":{"chicago":"Konstantinov, Nikola H, and Christoph Lampert. “On the Impossibility of Fairness-Aware Learning from Corrupted Data.” In <i>Proceedings of Machine Learning Research</i>, 171:59–83. ML Research Press, 2022.","ieee":"N. H. Konstantinov and C. Lampert, “On the impossibility of fairness-aware learning from corrupted data,” in <i>Proceedings of Machine Learning Research</i>, 2022, vol. 171, pp. 59–83.","ista":"Konstantinov NH, Lampert C. 2022. On the impossibility of fairness-aware learning from corrupted data. Proceedings of Machine Learning Research. vol. 171, 59–83.","mla":"Konstantinov, Nikola H., and Christoph Lampert. “On the Impossibility of Fairness-Aware Learning from Corrupted Data.” <i>Proceedings of Machine Learning Research</i>, vol. 171, ML Research Press, 2022, pp. 59–83.","short":"N.H. Konstantinov, C. Lampert, in:, Proceedings of Machine Learning Research, ML Research Press, 2022, pp. 59–83.","ama":"Konstantinov NH, Lampert C. On the impossibility of fairness-aware learning from corrupted data. In: <i>Proceedings of Machine Learning Research</i>. Vol 171. ML Research Press; 2022:59-83.","apa":"Konstantinov, N. H., &#38; Lampert, C. (2022). On the impossibility of fairness-aware learning from corrupted data. In <i>Proceedings of Machine Learning Research</i> (Vol. 171, pp. 59–83). ML Research Press."},"title":"On the impossibility of fairness-aware learning from corrupted data","day":"01","type":"conference","author":[{"last_name":"Konstantinov","full_name":"Konstantinov, Nikola H","first_name":"Nikola H","id":"4B9D76E4-F248-11E8-B48F-1D18A9856A87"},{"full_name":"Lampert, Christoph","first_name":"Christoph","last_name":"Lampert","orcid":"0000-0001-8622-7887","id":"40C20FD2-F248-11E8-B48F-1D18A9856A87"}],"acknowledgement":"This paper is a shortened, workshop version of Konstantinov and Lampert (2021),\r\nhttps://arxiv.org/abs/2102.06004. For further results, including an analysis of algorithms achieving the lower bounds from this paper, we refer to the full version.","related_material":{"record":[{"status":"public","relation":"extended_version","id":"10802"}]},"language":[{"iso":"eng"}],"arxiv":1,"article_processing_charge":"No","_id":"13241","abstract":[{"text":"Addressing fairness concerns about machine learning models is a crucial step towards their long-term adoption in real-world automated systems. Many approaches for training fair models from data have been developed and an implicit assumption about such algorithms is that they are able to recover a fair model, despite potential historical biases in the data. In this work we show a number of impossibility results that indicate that there is no learning algorithm that can recover a fair model when a proportion of the dataset is subject to arbitrary manipulations. Specifically, we prove that there are situations in which an adversary can force any learner to return a biased classifier, with or without degrading accuracy, and that the strength of this bias increases for learning problems with underrepresented protected groups in the data. Our results emphasize on the importance of studying further data corruption models of various strength and of establishing stricter data collection practices for fairness-aware learning.","lang":"eng"}],"date_published":"2022-12-01T00:00:00Z","publication_status":"published","main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/2102.06004"}],"oa":1,"volume":171,"year":"2022","oa_version":"Preprint","date_updated":"2023-09-26T10:44:37Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","external_id":{"arxiv":["2102.06004"]},"scopus_import":"1","publication_identifier":{"eissn":["2640-3498"]}},{"status":"public","publication":"ChemRxiv","oa":1,"main_file_link":[{"open_access":"1","url":"https://doi.org/10.26434/chemrxiv-2022-klncg"}],"publication_status":"submitted","_id":"13345","abstract":[{"lang":"eng","text":"The self-assembly of inorganic nanoparticles (NPs) into ordered structures (superlattices) has led to a wide range of nanomaterials with unique optical, magnetic, electronic, and catalytic properties. Various interactions have been employed to direct the crystallization of NPs, including van der Waals forces, hydrogen bonding, as well as electric and magnetic dipolar interactions. Among them, Coulombic interactions—ubiquitous in nature and the main driving force behind the formation of many minerals, such as fluorite or rock salt—have remained largely underexplored, owing to the rapid charge exchange between NPs bearing high densities of opposite charges (superionic NPs). Here, we worked with superionic NPs under conditions (room temperature, concentrated salt solutions) that preserved their native surface charge density. We demonstrate that under these conditions, the Coulombic interactions between superionic NPs are reminiscent of short-range intermolecular interactions. Our methodology was used to assemble oppositely charged NPs into high-quality superlattices exhibiting Catalan shapes. Depending on their size ratio, the NPs assembled into either rhombic dodecahedra or triakis tetrahedra with structures mimicking those of the ionic solids CsCl and Th3P4, respectively. We envision that the methodology described here can be applied to a wide range of charged NPs of various sizes, shapes, and compositions, thus facilitating the discovery of new nanomaterials."}],"date_published":"2022-04-08T00:00:00Z","date_created":"2023-08-01T09:30:08Z","extern":"1","month":"04","article_processing_charge":"No","doi":"10.26434/chemrxiv-2022-klncg","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","language":[{"iso":"eng"}],"date_updated":"2023-08-02T06:48:27Z","oa_version":"Preprint","year":"2022","author":[{"full_name":"Bian, Tong","first_name":"Tong","last_name":"Bian"},{"last_name":"Lobato","first_name":"Ivan","full_name":"Lobato, Ivan"},{"last_name":"Wang","first_name":"Ji","full_name":"Wang, Ji"},{"last_name":"Nitka","first_name":"Tara A.","full_name":"Nitka, Tara A."},{"last_name":"Peled","full_name":"Peled, Tzuf Shay","first_name":"Tzuf Shay"},{"last_name":"Lee","first_name":"Byeongdu","full_name":"Lee, Byeongdu"},{"last_name":"Van Aert","full_name":"Van Aert, Sandra","first_name":"Sandra"},{"first_name":"Sara","full_name":"Bals, Sara","last_name":"Bals"},{"last_name":"Vuković","first_name":"Lela","full_name":"Vuković, Lela"},{"full_name":"Altantzis, Thomas","first_name":"Thomas","last_name":"Altantzis"},{"last_name":"Král","first_name":"Petr","full_name":"Král, Petr"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","first_name":"Rafal","full_name":"Klajn, Rafal","last_name":"Klajn"}],"type":"preprint","day":"08","title":"Catalan solids from superionic nanoparticles","citation":{"apa":"Bian, T., Lobato, I., Wang, J., Nitka, T. A., Peled, T. S., Lee, B., … Klajn, R. (n.d.). Catalan solids from superionic nanoparticles. <i>ChemRxiv</i>. <a href=\"https://doi.org/10.26434/chemrxiv-2022-klncg\">https://doi.org/10.26434/chemrxiv-2022-klncg</a>","ama":"Bian T, Lobato I, Wang J, et al. Catalan solids from superionic nanoparticles. <i>ChemRxiv</i>. doi:<a href=\"https://doi.org/10.26434/chemrxiv-2022-klncg\">10.26434/chemrxiv-2022-klncg</a>","short":"T. Bian, I. Lobato, J. Wang, T.A. Nitka, T.S. Peled, B. Lee, S. Van Aert, S. Bals, L. Vuković, T. Altantzis, P. Král, R. Klajn, ChemRxiv (n.d.).","mla":"Bian, Tong, et al. “Catalan Solids from Superionic Nanoparticles.” <i>ChemRxiv</i>, doi:<a href=\"https://doi.org/10.26434/chemrxiv-2022-klncg\">10.26434/chemrxiv-2022-klncg</a>.","ista":"Bian T, Lobato I, Wang J, Nitka TA, Peled TS, Lee B, Van Aert S, Bals S, Vuković L, Altantzis T, Král P, Klajn R. Catalan solids from superionic nanoparticles. ChemRxiv, <a href=\"https://doi.org/10.26434/chemrxiv-2022-klncg\">10.26434/chemrxiv-2022-klncg</a>.","ieee":"T. Bian <i>et al.</i>, “Catalan solids from superionic nanoparticles,” <i>ChemRxiv</i>. .","chicago":"Bian, Tong, Ivan Lobato, Ji Wang, Tara A. Nitka, Tzuf Shay Peled, Byeongdu Lee, Sandra Van Aert, et al. “Catalan Solids from Superionic Nanoparticles.” <i>ChemRxiv</i>, n.d. <a href=\"https://doi.org/10.26434/chemrxiv-2022-klncg\">https://doi.org/10.26434/chemrxiv-2022-klncg</a>."}},{"publication_status":"published","main_file_link":[{"url":"https://doi.org/10.1038/s42004-022-00658-8","open_access":"1"}],"oa":1,"volume":5,"article_processing_charge":"No","article_number":"44","date_published":"2022-03-30T00:00:00Z","_id":"13347","abstract":[{"text":"Confining molecules within well-defined nanosized spaces can profoundly alter their physicochemical characteristics. For example, the controlled aggregation of chromophores into discrete oligomers has been shown to tune their optical properties whereas encapsulation of reactive species within molecular hosts can increase their stability. The resazurin/resorufin pair has been widely used for detecting redox processes in biological settings; yet, how tight confinement affects the properties of these two dyes remains to be explored. Here, we show that a flexible Pd<jats:sup>II</jats:sup><jats:sub>6</jats:sub>L<jats:sub>4</jats:sub> coordination cage can efficiently encapsulate both resorufin and resazurin in the form of dimers, dramatically modulating their optical properties. Furthermore, binding within the cage significantly decreases the reduction rate of resazurin to resorufin, and the rate of the subsequent reduction of resorufin to dihydroresorufin. During our studies, we also found that upon dilution, the Pd<jats:sup>II</jats:sup><jats:sub>6</jats:sub>L<jats:sub>4</jats:sub> cage disassembles to afford Pd<jats:sup>II</jats:sup><jats:sub>2</jats:sub>L<jats:sub>2</jats:sub> species, which lacks the ability to form inclusion complexes – a process that can be reversed upon the addition of the strongly binding resorufin/resazurin guests. We expect that the herein disclosed ability of a water-soluble cage to reversibly modulate the optical and chemical properties of a molecular redox probe will expand the versatility of synthetic fluorescent probes in biologically relevant environments.","lang":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2023-08-02T06:41:54Z","scopus_import":"1","publication_identifier":{"eissn":["2399-3669"]},"article_type":"original","oa_version":"Published Version","year":"2022","publisher":"Springer Nature","quality_controlled":"1","publication":"Communications Chemistry","intvolume":"         5","status":"public","extern":"1","month":"03","date_created":"2023-08-01T09:30:47Z","language":[{"iso":"eng"}],"keyword":["Materials Chemistry","Biochemistry","Environmental Chemistry","General Chemistry"],"doi":"10.1038/s42004-022-00658-8","citation":{"mla":"Yanshyna, Oksana, et al. “Encapsulation within a Coordination Cage Modulates the Reactivity of Redox-Active Dyes.” <i>Communications Chemistry</i>, vol. 5, 44, Springer Nature, 2022, doi:<a href=\"https://doi.org/10.1038/s42004-022-00658-8\">10.1038/s42004-022-00658-8</a>.","ista":"Yanshyna O, Białek MJ, Chashchikhin OV, Klajn R. 2022. Encapsulation within a coordination cage modulates the reactivity of redox-active dyes. Communications Chemistry. 5, 44.","ieee":"O. Yanshyna, M. J. Białek, O. V. Chashchikhin, and R. Klajn, “Encapsulation within a coordination cage modulates the reactivity of redox-active dyes,” <i>Communications Chemistry</i>, vol. 5. Springer Nature, 2022.","chicago":"Yanshyna, Oksana, Michał J. Białek, Oleg V. Chashchikhin, and Rafal Klajn. “Encapsulation within a Coordination Cage Modulates the Reactivity of Redox-Active Dyes.” <i>Communications Chemistry</i>. Springer Nature, 2022. <a href=\"https://doi.org/10.1038/s42004-022-00658-8\">https://doi.org/10.1038/s42004-022-00658-8</a>.","apa":"Yanshyna, O., Białek, M. J., Chashchikhin, O. V., &#38; Klajn, R. (2022). Encapsulation within a coordination cage modulates the reactivity of redox-active dyes. <i>Communications Chemistry</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s42004-022-00658-8\">https://doi.org/10.1038/s42004-022-00658-8</a>","ama":"Yanshyna O, Białek MJ, Chashchikhin OV, Klajn R. Encapsulation within a coordination cage modulates the reactivity of redox-active dyes. <i>Communications Chemistry</i>. 2022;5. doi:<a href=\"https://doi.org/10.1038/s42004-022-00658-8\">10.1038/s42004-022-00658-8</a>","short":"O. Yanshyna, M.J. Białek, O.V. Chashchikhin, R. Klajn, Communications Chemistry 5 (2022)."},"title":"Encapsulation within a coordination cage modulates the reactivity of redox-active dyes","day":"30","author":[{"last_name":"Yanshyna","first_name":"Oksana","full_name":"Yanshyna, Oksana"},{"full_name":"Białek, Michał J.","first_name":"Michał J.","last_name":"Białek"},{"last_name":"Chashchikhin","first_name":"Oleg V.","full_name":"Chashchikhin, Oleg V."},{"first_name":"Rafal","full_name":"Klajn, Rafal","last_name":"Klajn","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b"}],"type":"journal_article"},{"extern":"1","month":"11","date_created":"2023-08-01T09:31:01Z","page":"21244-21254","quality_controlled":"1","publication":"Journal of the American Chemical Society","intvolume":"       144","status":"public","publisher":"American Chemical Society","day":"15","type":"journal_article","author":[{"last_name":"Wang","full_name":"Wang, Jinhua","first_name":"Jinhua"},{"full_name":"Avram, Liat","first_name":"Liat","last_name":"Avram"},{"first_name":"Yael","full_name":"Diskin-Posner, Yael","last_name":"Diskin-Posner"},{"first_name":"Michał J.","full_name":"Białek, Michał J.","last_name":"Białek"},{"first_name":"Wojciech","full_name":"Stawski, Wojciech","last_name":"Stawski"},{"full_name":"Feller, Moran","first_name":"Moran","last_name":"Feller"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","full_name":"Klajn, Rafal","first_name":"Rafal","last_name":"Klajn"}],"citation":{"mla":"Wang, Jinhua, et al. “Altering the Properties of Spiropyran Switches Using Coordination Cages with Different Symmetries.” <i>Journal of the American Chemical Society</i>, vol. 144, no. 46, American Chemical Society, 2022, pp. 21244–54, doi:<a href=\"https://doi.org/10.1021/jacs.2c08901\">10.1021/jacs.2c08901</a>.","ista":"Wang J, Avram L, Diskin-Posner Y, Białek MJ, Stawski W, Feller M, Klajn R. 2022. Altering the properties of spiropyran switches using coordination cages with different symmetries. Journal of the American Chemical Society. 144(46), 21244–21254.","ieee":"J. Wang <i>et al.</i>, “Altering the properties of spiropyran switches using coordination cages with different symmetries,” <i>Journal of the American Chemical Society</i>, vol. 144, no. 46. American Chemical Society, pp. 21244–21254, 2022.","chicago":"Wang, Jinhua, Liat Avram, Yael Diskin-Posner, Michał J. Białek, Wojciech Stawski, Moran Feller, and Rafal Klajn. “Altering the Properties of Spiropyran Switches Using Coordination Cages with Different Symmetries.” <i>Journal of the American Chemical Society</i>. American Chemical Society, 2022. <a href=\"https://doi.org/10.1021/jacs.2c08901\">https://doi.org/10.1021/jacs.2c08901</a>.","apa":"Wang, J., Avram, L., Diskin-Posner, Y., Białek, M. J., Stawski, W., Feller, M., &#38; Klajn, R. (2022). Altering the properties of spiropyran switches using coordination cages with different symmetries. <i>Journal of the American Chemical Society</i>. American Chemical Society. <a href=\"https://doi.org/10.1021/jacs.2c08901\">https://doi.org/10.1021/jacs.2c08901</a>","ama":"Wang J, Avram L, Diskin-Posner Y, et al. Altering the properties of spiropyran switches using coordination cages with different symmetries. <i>Journal of the American Chemical Society</i>. 2022;144(46):21244-21254. doi:<a href=\"https://doi.org/10.1021/jacs.2c08901\">10.1021/jacs.2c08901</a>","short":"J. Wang, L. Avram, Y. Diskin-Posner, M.J. Białek, W. Stawski, M. Feller, R. Klajn, Journal of the American Chemical Society 144 (2022) 21244–21254."},"title":"Altering the properties of spiropyran switches using coordination cages with different symmetries","language":[{"iso":"eng"}],"keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"doi":"10.1021/jacs.2c08901","_id":"13348","date_published":"2022-11-15T00:00:00Z","abstract":[{"text":"Molecular confinement effects can profoundly alter the physicochemical properties of the confined species. A plethora of organic molecules were encapsulated within the cavities of supramolecular hosts, and the impact of the cavity size and polarity was widely investigated. However, the extent to which the properties of the confined guests can be affected by the symmetry of the cage─which dictates the shape of the cavity─remains to be understood. Here we show that cage symmetry has a dramatic effect on the equilibrium between two isomers of the encapsulated spiropyran guests. Working with two Pd-based coordination cages featuring similarly sized but differently shaped hydrophobic cavities, we found a highly selective stabilization of the isomer whose shape matches that of the cavity of the cage. A Td-symmetric cage stabilized the spiropyrans’ colorless form and rendered them photochemically inert. In contrast, a D2h-symmetric cage favored the colored isomer, while maintaining reversible photoswitching between the two states of the encapsulated spiropyrans. We also show that the switching kinetics strongly depend on the substitution pattern on the spiropyran scaffold. This finding was used to fabricate a time-sensitive information storage medium with tunable lifetimes of the encoded messages.","lang":"eng"}],"issue":"46","article_processing_charge":"No","volume":144,"publication_status":"published","main_file_link":[{"url":"https://doi.org/10.1021/jacs.2c08901","open_access":"1"}],"oa":1,"article_type":"original","year":"2022","oa_version":"Published Version","date_updated":"2023-08-02T06:39:50Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]}},{"_id":"13350","abstract":[{"text":"Confinement within molecular cages can dramatically modify the physicochemical properties of the encapsulated guest molecules, but such host-guest complexes have mainly been studied in a static context. Combining confinement effects with fast guest exchange kinetics could pave the way toward stimuli-responsive supramolecular systems—and ultimately materials—whose desired properties could be tailored “on demand” rapidly and reversibly. Here, we demonstrate rapid guest exchange between inclusion complexes of an open-window coordination cage that can simultaneously accommodate two guest molecules. Working with two types of guests, anthracene derivatives and BODIPY dyes, we show that the former can substantially modify the optical properties of the latter upon noncovalent heterodimer formation. We also studied the light-induced covalent dimerization of encapsulated anthracenes and found large effects of confinement on reaction rates. By coupling the photodimerization with the rapid guest exchange, we developed a new way to modulate fluorescence using external irradiation.","lang":"eng"}],"date_published":"2022-09-08T00:00:00Z","article_processing_charge":"No","issue":"9","volume":8,"publication_status":"published","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1016/j.chempr.2022.05.008"}],"oa":1,"article_type":"original","oa_version":"Published Version","year":"2022","scopus_import":"1","external_id":{"pmid":["36133801"]},"date_updated":"2023-08-02T09:39:35Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_identifier":{"eissn":["2451-9294"],"issn":["2451-9308"]},"month":"09","extern":"1","date_created":"2023-08-01T09:32:14Z","page":"2362-2379","publication":"Chem","quality_controlled":"1","status":"public","intvolume":"         8","publisher":"Elsevier","day":"08","type":"journal_article","author":[{"full_name":"Gemen, Julius","first_name":"Julius","last_name":"Gemen"},{"first_name":"Michał J.","full_name":"Białek, Michał J.","last_name":"Białek"},{"full_name":"Kazes, Miri","first_name":"Miri","last_name":"Kazes"},{"first_name":"Linda J.W.","full_name":"Shimon, Linda J.W.","last_name":"Shimon"},{"first_name":"Moran","full_name":"Feller, Moran","last_name":"Feller"},{"last_name":"Semenov","full_name":"Semenov, Sergey N.","first_name":"Sergey N."},{"first_name":"Yael","full_name":"Diskin-Posner, Yael","last_name":"Diskin-Posner"},{"first_name":"Dan","full_name":"Oron, Dan","last_name":"Oron"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","last_name":"Klajn","first_name":"Rafal","full_name":"Klajn, Rafal"}],"citation":{"ama":"Gemen J, Białek MJ, Kazes M, et al. Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence. <i>Chem</i>. 2022;8(9):2362-2379. doi:<a href=\"https://doi.org/10.1016/j.chempr.2022.05.008\">10.1016/j.chempr.2022.05.008</a>","apa":"Gemen, J., Białek, M. J., Kazes, M., Shimon, L. J. W., Feller, M., Semenov, S. N., … Klajn, R. (2022). Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence. <i>Chem</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.chempr.2022.05.008\">https://doi.org/10.1016/j.chempr.2022.05.008</a>","short":"J. Gemen, M.J. Białek, M. Kazes, L.J.W. Shimon, M. Feller, S.N. Semenov, Y. Diskin-Posner, D. Oron, R. Klajn, Chem 8 (2022) 2362–2379.","mla":"Gemen, Julius, et al. “Ternary Host-Guest Complexes with Rapid Exchange Kinetics and Photoswitchable Fluorescence.” <i>Chem</i>, vol. 8, no. 9, Elsevier, 2022, pp. 2362–79, doi:<a href=\"https://doi.org/10.1016/j.chempr.2022.05.008\">10.1016/j.chempr.2022.05.008</a>.","chicago":"Gemen, Julius, Michał J. Białek, Miri Kazes, Linda J.W. Shimon, Moran Feller, Sergey N. Semenov, Yael Diskin-Posner, Dan Oron, and Rafal Klajn. “Ternary Host-Guest Complexes with Rapid Exchange Kinetics and Photoswitchable Fluorescence.” <i>Chem</i>. Elsevier, 2022. <a href=\"https://doi.org/10.1016/j.chempr.2022.05.008\">https://doi.org/10.1016/j.chempr.2022.05.008</a>.","ieee":"J. Gemen <i>et al.</i>, “Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence,” <i>Chem</i>, vol. 8, no. 9. Elsevier, pp. 2362–2379, 2022.","ista":"Gemen J, Białek MJ, Kazes M, Shimon LJW, Feller M, Semenov SN, Diskin-Posner Y, Oron D, Klajn R. 2022. Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence. Chem. 8(9), 2362–2379."},"title":"Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence","keyword":["Materials Chemistry","Biochemistry (medical)","General Chemical Engineering","Environmental Chemistry","Biochemistry","General Chemistry"],"language":[{"iso":"eng"}],"doi":"10.1016/j.chempr.2022.05.008","pmid":1},{"citation":{"apa":"Gemen, J., &#38; Klajn, R. (2022). Electron catalysis expands the supramolecular chemist’s toolbox. <i>Chem</i>. Elsevier. <a href=\"https://doi.org/10.1016/j.chempr.2022.04.022\">https://doi.org/10.1016/j.chempr.2022.04.022</a>","ama":"Gemen J, Klajn R. Electron catalysis expands the supramolecular chemist’s toolbox. <i>Chem</i>. 2022;8(5):1183-1186. doi:<a href=\"https://doi.org/10.1016/j.chempr.2022.04.022\">10.1016/j.chempr.2022.04.022</a>","short":"J. Gemen, R. Klajn, Chem 8 (2022) 1183–1186.","mla":"Gemen, Julius, and Rafal Klajn. “Electron Catalysis Expands the Supramolecular Chemist’s Toolbox.” <i>Chem</i>, vol. 8, no. 5, Elsevier, 2022, pp. 1183–86, doi:<a href=\"https://doi.org/10.1016/j.chempr.2022.04.022\">10.1016/j.chempr.2022.04.022</a>.","ieee":"J. Gemen and R. Klajn, “Electron catalysis expands the supramolecular chemist’s toolbox,” <i>Chem</i>, vol. 8, no. 5. Elsevier, pp. 1183–1186, 2022.","ista":"Gemen J, Klajn R. 2022. Electron catalysis expands the supramolecular chemist’s toolbox. Chem. 8(5), 1183–1186.","chicago":"Gemen, Julius, and Rafal Klajn. “Electron Catalysis Expands the Supramolecular Chemist’s Toolbox.” <i>Chem</i>. Elsevier, 2022. <a href=\"https://doi.org/10.1016/j.chempr.2022.04.022\">https://doi.org/10.1016/j.chempr.2022.04.022</a>."},"title":"Electron catalysis expands the supramolecular chemist’s toolbox","day":"12","type":"journal_article","author":[{"full_name":"Gemen, Julius","first_name":"Julius","last_name":"Gemen"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","full_name":"Klajn, Rafal","first_name":"Rafal","last_name":"Klajn"}],"language":[{"iso":"eng"}],"keyword":["Materials Chemistry","Biochemistry (medical)","General Chemical Engineering","Environmental Chemistry","Biochemistry","General Chemistry"],"doi":"10.1016/j.chempr.2022.04.022","page":"1183-1186","extern":"1","month":"05","date_created":"2023-08-01T09:32:27Z","publisher":"Elsevier","quality_controlled":"1","publication":"Chem","status":"public","intvolume":"         8","article_type":"original","year":"2022","oa_version":"Published Version","date_updated":"2023-08-02T07:24:57Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","publication_identifier":{"eissn":["2451-9294"],"issn":["2451-9308"]},"issue":"5","article_processing_charge":"No","_id":"13351","date_published":"2022-05-12T00:00:00Z","abstract":[{"text":"Molecular recognition is at the heart of the noncovalent synthesis of supramolecular assemblies and, at higher length scales, supramolecular materials. In a recent publication in Nature, Stoddart and co-workers demonstrate that the formation of host-guest complexes can be catalyzed by one of the simplest possible catalysts: the electron.","lang":"eng"}],"publication_status":"published","oa":1,"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1016/j.chempr.2022.04.022"}],"volume":8},{"doi":"10.1038/s41565-022-01079-3","keyword":["Electrical and Electronic Engineering","Condensed Matter Physics","General Materials Science","Biomedical Engineering","Atomic and Molecular Physics","and Optics","Bioengineering"],"language":[{"iso":"eng"}],"pmid":1,"type":"journal_article","author":[{"full_name":"Cai, Jiarong","first_name":"Jiarong","last_name":"Cai"},{"full_name":"Zhang, Wei","first_name":"Wei","last_name":"Zhang"},{"full_name":"Xu, Liguang","first_name":"Liguang","last_name":"Xu"},{"last_name":"Hao","full_name":"Hao, Changlong","first_name":"Changlong"},{"full_name":"Ma, Wei","first_name":"Wei","last_name":"Ma"},{"full_name":"Sun, Maozhong","first_name":"Maozhong","last_name":"Sun"},{"full_name":"Wu, Xiaoling","first_name":"Xiaoling","last_name":"Wu"},{"first_name":"Xian","full_name":"Qin, Xian","last_name":"Qin"},{"last_name":"Colombari","full_name":"Colombari, Felippe Mariano","first_name":"Felippe Mariano"},{"last_name":"de Moura","full_name":"de Moura, André Farias","first_name":"André Farias"},{"full_name":"Xu, Jiahui","first_name":"Jiahui","last_name":"Xu"},{"full_name":"Silva, Mariana Cristina","first_name":"Mariana Cristina","last_name":"Silva"},{"last_name":"Carneiro-Neto","first_name":"Evaldo Batista","full_name":"Carneiro-Neto, Evaldo Batista"},{"last_name":"Gomes","first_name":"Weverson Rodrigues","full_name":"Gomes, Weverson Rodrigues"},{"last_name":"Vallée","full_name":"Vallée, Renaud A. L.","first_name":"Renaud A. L."},{"full_name":"Pereira, Ernesto Chaves","first_name":"Ernesto Chaves","last_name":"Pereira"},{"last_name":"Liu","full_name":"Liu, Xiaogang","first_name":"Xiaogang"},{"first_name":"Chuanlai","full_name":"Xu, Chuanlai","last_name":"Xu"},{"last_name":"Klajn","full_name":"Klajn, Rafal","first_name":"Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b"},{"first_name":"Nicholas A.","full_name":"Kotov, Nicholas A.","last_name":"Kotov"},{"full_name":"Kuang, Hua","first_name":"Hua","last_name":"Kuang"}],"day":"14","title":"Polarization-sensitive optoionic membranes from chiral plasmonic nanoparticles","citation":{"mla":"Cai, Jiarong, et al. “Polarization-Sensitive Optoionic Membranes from Chiral Plasmonic Nanoparticles.” <i>Nature Nanotechnology</i>, vol. 17, no. 4, Springer Nature, 2022, pp. 408–16, doi:<a href=\"https://doi.org/10.1038/s41565-022-01079-3\">10.1038/s41565-022-01079-3</a>.","ieee":"J. Cai <i>et al.</i>, “Polarization-sensitive optoionic membranes from chiral plasmonic nanoparticles,” <i>Nature Nanotechnology</i>, vol. 17, no. 4. Springer Nature, pp. 408–416, 2022.","ista":"Cai J, Zhang W, Xu L, Hao C, Ma W, Sun M, Wu X, Qin X, Colombari FM, de Moura AF, Xu J, Silva MC, Carneiro-Neto EB, Gomes WR, Vallée RAL, Pereira EC, Liu X, Xu C, Klajn R, Kotov NA, Kuang H. 2022. Polarization-sensitive optoionic membranes from chiral plasmonic nanoparticles. Nature Nanotechnology. 17(4), 408–416.","chicago":"Cai, Jiarong, Wei Zhang, Liguang Xu, Changlong Hao, Wei Ma, Maozhong Sun, Xiaoling Wu, et al. “Polarization-Sensitive Optoionic Membranes from Chiral Plasmonic Nanoparticles.” <i>Nature Nanotechnology</i>. Springer Nature, 2022. <a href=\"https://doi.org/10.1038/s41565-022-01079-3\">https://doi.org/10.1038/s41565-022-01079-3</a>.","apa":"Cai, J., Zhang, W., Xu, L., Hao, C., Ma, W., Sun, M., … Kuang, H. (2022). Polarization-sensitive optoionic membranes from chiral plasmonic nanoparticles. <i>Nature Nanotechnology</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41565-022-01079-3\">https://doi.org/10.1038/s41565-022-01079-3</a>","ama":"Cai J, Zhang W, Xu L, et al. Polarization-sensitive optoionic membranes from chiral plasmonic nanoparticles. <i>Nature Nanotechnology</i>. 2022;17(4):408-416. doi:<a href=\"https://doi.org/10.1038/s41565-022-01079-3\">10.1038/s41565-022-01079-3</a>","short":"J. Cai, W. Zhang, L. Xu, C. Hao, W. Ma, M. Sun, X. Wu, X. Qin, F.M. Colombari, A.F. de Moura, J. Xu, M.C. Silva, E.B. Carneiro-Neto, W.R. Gomes, R.A.L. Vallée, E.C. Pereira, X. Liu, C. Xu, R. Klajn, N.A. Kotov, H. Kuang, Nature Nanotechnology 17 (2022) 408–416."},"status":"public","intvolume":"        17","publication":"Nature Nanotechnology","quality_controlled":"1","publisher":"Springer Nature","date_created":"2023-08-01T09:32:40Z","month":"03","extern":"1","page":"408-416","publication_identifier":{"issn":["1748-3387"],"eissn":["1748-3395"]},"scopus_import":"1","external_id":{"pmid":["35288671"]},"date_updated":"2023-08-02T09:44:31Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","year":"2022","oa_version":"Published Version","article_type":"original","volume":17,"main_file_link":[{"open_access":"1","url":"https://hal.science/hal-03623036/"}],"oa":1,"publication_status":"published","abstract":[{"lang":"eng","text":"Optoelectronic effects differentiating absorption of right and left circularly polarized photons in thin films of chiral materials are typically prohibitively small for their direct photocurrent observation. Chiral metasurfaces increase the electronic sensitivity to circular polarization, but their out-of-plane architecture entails manufacturing and performance trade-offs. Here, we show that nanoporous thin films of chiral nanoparticles enable high sensitivity to circular polarization due to light-induced polarization-dependent ion accumulation at nanoparticle interfaces. Self-assembled multilayers of gold nanoparticles modified with L-phenylalanine generate a photocurrent under right-handed circularly polarized light as high as 2.41 times higher than under left-handed circularly polarized light. The strong plasmonic coupling between the multiple nanoparticles producing planar chiroplasmonic modes facilitates the ejection of electrons, whose entrapment at the membrane–electrolyte interface is promoted by a thick layer of enantiopure phenylalanine. Demonstrated detection of light ellipticity with equal sensitivity at all incident angles mimics phenomenological aspects of polarization vision in marine animals. The simplicity of self-assembly and sensitivity of polarization detection found in optoionic membranes opens the door to a family of miniaturized fluidic devices for chiral photonics."}],"_id":"13352","date_published":"2022-03-14T00:00:00Z","article_processing_charge":"No","issue":"4"},{"article_processing_charge":"No","issue":"21","date_published":"2022-01-22T00:00:00Z","_id":"13353","abstract":[{"text":"We show that the optical properties of indigo carmine can be modulated by encapsulation within a coordination cage. Depending on the host/guest molar ratio, the cage can predominantly encapsulate either one or two dye molecules. The 1 : 1 complex is fluorescent, unique for an indigo dye in an aqueous solution. We have also found that binding two dye molecules stabilizes a previously unknown conformation of the cage.","lang":"eng"}],"oa":1,"main_file_link":[{"url":"https://doi.org/10.1039/D1CC07081A","open_access":"1"}],"publication_status":"published","volume":58,"oa_version":"Published Version","year":"2022","article_type":"original","publication_identifier":{"issn":["1359-7345"],"eissn":["1364-548X"]},"external_id":{"pmid":["35064258"]},"scopus_import":"1","date_updated":"2023-08-02T09:46:51Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","page":"3461-3464","date_created":"2023-08-01T09:32:55Z","month":"01","extern":"1","publisher":"Royal Society of Chemistry","status":"public","intvolume":"        58","publication":"Chemical Communications","quality_controlled":"1","title":"Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine","citation":{"apa":"Yanshyna, O., Avram, L., Shimon, L. J. W., &#38; Klajn, R. (2022). Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine. <i>Chemical Communications</i>. Royal Society of Chemistry. <a href=\"https://doi.org/10.1039/d1cc07081a\">https://doi.org/10.1039/d1cc07081a</a>","ama":"Yanshyna O, Avram L, Shimon LJW, Klajn R. Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine. <i>Chemical Communications</i>. 2022;58(21):3461-3464. doi:<a href=\"https://doi.org/10.1039/d1cc07081a\">10.1039/d1cc07081a</a>","short":"O. Yanshyna, L. Avram, L.J.W. Shimon, R. Klajn, Chemical Communications 58 (2022) 3461–3464.","mla":"Yanshyna, Oksana, et al. “Coexistence of 1:1 and 2:1 Inclusion Complexes of Indigo Carmine.” <i>Chemical Communications</i>, vol. 58, no. 21, Royal Society of Chemistry, 2022, pp. 3461–64, doi:<a href=\"https://doi.org/10.1039/d1cc07081a\">10.1039/d1cc07081a</a>.","ieee":"O. Yanshyna, L. Avram, L. J. W. Shimon, and R. Klajn, “Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine,” <i>Chemical Communications</i>, vol. 58, no. 21. Royal Society of Chemistry, pp. 3461–3464, 2022.","ista":"Yanshyna O, Avram L, Shimon LJW, Klajn R. 2022. Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine. Chemical Communications. 58(21), 3461–3464.","chicago":"Yanshyna, Oksana, Liat Avram, Linda J. W. Shimon, and Rafal Klajn. “Coexistence of 1:1 and 2:1 Inclusion Complexes of Indigo Carmine.” <i>Chemical Communications</i>. Royal Society of Chemistry, 2022. <a href=\"https://doi.org/10.1039/d1cc07081a\">https://doi.org/10.1039/d1cc07081a</a>."},"type":"journal_article","author":[{"full_name":"Yanshyna, Oksana","first_name":"Oksana","last_name":"Yanshyna"},{"last_name":"Avram","full_name":"Avram, Liat","first_name":"Liat"},{"last_name":"Shimon","full_name":"Shimon, Linda J. W.","first_name":"Linda J. W."},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","last_name":"Klajn","first_name":"Rafal","full_name":"Klajn, Rafal"}],"day":"22","pmid":1,"doi":"10.1039/d1cc07081a","keyword":["Materials Chemistry","Metals and Alloys","Surfaces","Coatings and Films","General Chemistry","Ceramics and Composites","Electronic","Optical and Magnetic Materials","Catalysis"],"language":[{"iso":"eng"}]},{"day":"06","author":[{"last_name":"Huang","full_name":"Huang, Richard H.","first_name":"Richard H."},{"first_name":"Nazia","full_name":"Nayeem, Nazia","last_name":"Nayeem"},{"last_name":"He","full_name":"He, Ye","first_name":"Ye"},{"last_name":"Morales","first_name":"Jorge","full_name":"Morales, Jorge"},{"first_name":"Duncan","full_name":"Graham, Duncan","last_name":"Graham"},{"id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","last_name":"Klajn","full_name":"Klajn, Rafal","first_name":"Rafal"},{"full_name":"Contel, Maria","first_name":"Maria","last_name":"Contel"},{"last_name":"O'Brien","full_name":"O'Brien, Stephen","first_name":"Stephen"},{"last_name":"Ulijn","first_name":"Rein V.","full_name":"Ulijn, Rein V."}],"type":"journal_article","citation":{"mla":"Huang, Richard H., et al. “Self‐complementary Zwitterionic Peptides Direct Nanoparticle Assembly and Enable Enzymatic Selection of Endocytic Pathways.” <i>Advanced Materials</i>, vol. 34, no. 1, 2104962, Wiley, 2022, doi:<a href=\"https://doi.org/10.1002/adma.202104962\">10.1002/adma.202104962</a>.","chicago":"Huang, Richard H., Nazia Nayeem, Ye He, Jorge Morales, Duncan Graham, Rafal Klajn, Maria Contel, Stephen O’Brien, and Rein V. Ulijn. “Self‐complementary Zwitterionic Peptides Direct Nanoparticle Assembly and Enable Enzymatic Selection of Endocytic Pathways.” <i>Advanced Materials</i>. Wiley, 2022. <a href=\"https://doi.org/10.1002/adma.202104962\">https://doi.org/10.1002/adma.202104962</a>.","ieee":"R. H. Huang <i>et al.</i>, “Self‐complementary zwitterionic peptides direct nanoparticle assembly and enable enzymatic selection of endocytic pathways,” <i>Advanced Materials</i>, vol. 34, no. 1. Wiley, 2022.","ista":"Huang RH, Nayeem N, He Y, Morales J, Graham D, Klajn R, Contel M, O’Brien S, Ulijn RV. 2022. Self‐complementary zwitterionic peptides direct nanoparticle assembly and enable enzymatic selection of endocytic pathways. Advanced Materials. 34(1), 2104962.","ama":"Huang RH, Nayeem N, He Y, et al. Self‐complementary zwitterionic peptides direct nanoparticle assembly and enable enzymatic selection of endocytic pathways. <i>Advanced Materials</i>. 2022;34(1). doi:<a href=\"https://doi.org/10.1002/adma.202104962\">10.1002/adma.202104962</a>","apa":"Huang, R. H., Nayeem, N., He, Y., Morales, J., Graham, D., Klajn, R., … Ulijn, R. V. (2022). Self‐complementary zwitterionic peptides direct nanoparticle assembly and enable enzymatic selection of endocytic pathways. <i>Advanced Materials</i>. Wiley. <a href=\"https://doi.org/10.1002/adma.202104962\">https://doi.org/10.1002/adma.202104962</a>","short":"R.H. Huang, N. Nayeem, Y. He, J. Morales, D. Graham, R. Klajn, M. Contel, S. O’Brien, R.V. Ulijn, Advanced Materials 34 (2022)."},"title":"Self‐complementary zwitterionic peptides direct nanoparticle assembly and enable enzymatic selection of endocytic pathways","language":[{"iso":"eng"}],"keyword":["Mechanical Engineering","Mechanics of Materials","General Materials Science"],"doi":"10.1002/adma.202104962","pmid":1,"extern":"1","month":"01","date_created":"2023-08-01T09:33:26Z","quality_controlled":"1","publication":"Advanced Materials","intvolume":"        34","status":"public","publisher":"Wiley","article_type":"original","oa_version":"Published Version","year":"2022","date_updated":"2023-08-07T09:58:17Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","external_id":{"pmid":["34668253"]},"publication_identifier":{"issn":["0935-9648"],"eissn":["1521-4095"]},"article_number":"2104962","_id":"13355","abstract":[{"lang":"eng","text":"Supramolecular self-assembly in biological systems holds promise to convert and amplify disease-specific signals to physical or mechanical signals that can direct cell fate. However, it remains challenging to design physiologically stable self-assembling systems that demonstrate tunable and predictable behavior. Here, the use of zwitterionic tetrapeptide modalities to direct nanoparticle assembly under physiological conditions is reported. The self-assembly of gold nanoparticles can be activated by enzymatic unveiling of surface-bound zwitterionic tetrapeptides through matrix metalloprotease-9 (MMP-9), which is overexpressed by cancer cells. This robust nanoparticle assembly is achieved by multivalent, self-complementary interactions of the zwitterionic tetrapeptides. In cancer cells that overexpress MMP-9, the nanoparticle assembly process occurs near the cell membrane and causes size-induced selection of cellular uptake mechanism, resulting in diminished cell growth. The enzyme responsiveness, and therefore, indirectly, the uptake route of the system can be programmed by customizing the peptide sequence: a simple inversion of the two amino acids at the cleavage site completely inactivates the enzyme responsiveness, self-assembly, and consequently changes the endocytic pathway. This robust self-complementary, zwitterionic peptide design demonstrates the use of enzyme-activated electrostatic side-chain patterns as powerful and customizable peptide modalities to program nanoparticle self-assembly and alter cellular response in biological context."}],"date_published":"2022-01-06T00:00:00Z","issue":"1","article_processing_charge":"No","volume":34,"publication_status":"published","main_file_link":[{"url":"https://doi.org/10.1002/adma.202104962","open_access":"1"}],"oa":1},{"publication":"The Astrophysical Journal","quality_controlled":"1","intvolume":"       940","status":"public","publisher":"American Astronomical Society","month":"11","extern":"1","date_created":"2023-08-01T14:20:41Z","keyword":["Space and Planetary Science","Astronomy and Astrophysics"],"language":[{"iso":"eng"}],"doi":"10.3847/1538-4357/ac97e7","day":"16","author":[{"full_name":"Ong, J. M. Joel","first_name":"J. M. Joel","last_name":"Ong"},{"id":"d9edb345-f866-11ec-9b37-d119b5234501","orcid":"0000-0003-0142-4000","first_name":"Lisa Annabelle","full_name":"Bugnet, Lisa Annabelle","last_name":"Bugnet"},{"last_name":"Basu","first_name":"Sarbani","full_name":"Basu, Sarbani"}],"type":"journal_article","citation":{"chicago":"Ong, J. M. Joel, Lisa Annabelle Bugnet, and Sarbani Basu. “Mode Mixing and Rotational Splittings. I. Near-Degeneracy Effects Revisited.” <i>The Astrophysical Journal</i>. American Astronomical Society, 2022. <a href=\"https://doi.org/10.3847/1538-4357/ac97e7\">https://doi.org/10.3847/1538-4357/ac97e7</a>.","ieee":"J. M. J. Ong, L. A. Bugnet, and S. Basu, “Mode mixing and rotational splittings. I. Near-degeneracy effects revisited,” <i>The Astrophysical Journal</i>, vol. 940, no. 1. American Astronomical Society, 2022.","ista":"Ong JMJ, Bugnet LA, Basu S. 2022. Mode mixing and rotational splittings. I. Near-degeneracy effects revisited. The Astrophysical Journal. 940(1), 18.","mla":"Ong, J. M. Joel, et al. “Mode Mixing and Rotational Splittings. I. Near-Degeneracy Effects Revisited.” <i>The Astrophysical Journal</i>, vol. 940, no. 1, 18, American Astronomical Society, 2022, doi:<a href=\"https://doi.org/10.3847/1538-4357/ac97e7\">10.3847/1538-4357/ac97e7</a>.","short":"J.M.J. Ong, L.A. Bugnet, S. Basu, The Astrophysical Journal 940 (2022).","ama":"Ong JMJ, Bugnet LA, Basu S. Mode mixing and rotational splittings. I. Near-degeneracy effects revisited. <i>The Astrophysical Journal</i>. 2022;940(1). doi:<a href=\"https://doi.org/10.3847/1538-4357/ac97e7\">10.3847/1538-4357/ac97e7</a>","apa":"Ong, J. M. J., Bugnet, L. A., &#38; Basu, S. (2022). Mode mixing and rotational splittings. I. Near-degeneracy effects revisited. <i>The Astrophysical Journal</i>. American Astronomical Society. <a href=\"https://doi.org/10.3847/1538-4357/ac97e7\">https://doi.org/10.3847/1538-4357/ac97e7</a>"},"title":"Mode mixing and rotational splittings. I. Near-degeneracy effects revisited","volume":940,"publication_status":"published","oa":1,"main_file_link":[{"url":"https://arxiv.org/abs/2210.01928","open_access":"1"}],"article_number":"18","_id":"13445","abstract":[{"text":"Rotation is typically assumed to induce strictly symmetric rotational splitting into the rotational multiplets of pure p- and g-modes. However, for evolved stars exhibiting mixed modes, avoided crossings between different multiplet components are known to yield asymmetric rotational splitting, in particular for near-degenerate mixed-mode pairs, where notional pure p-modes are fortuitously in resonance with pure g-modes. These near-degeneracy effects have been described in subgiants, but their consequences for the characterization of internal rotation in red giants have not previously been investigated in detail, in part owing to theoretical intractability. We employ new developments in the analytic theory of mixed-mode coupling to study these near-resonance phenomena. In the vicinity of the most p-dominated mixed modes, the near-degenerate intrinsic asymmetry from pure rotational splitting increases dramatically over the course of stellar evolution, and it depends strongly on the mode-mixing fraction ζ. We also find that a linear treatment of rotation remains viable for describing the underlying p- and g-modes, even when it does not for the resulting mixed modes undergoing these avoided crossings. We explore observational consequences for potential measurements of asymmetric mixed-mode splitting, which has been proposed as a magnetic-field diagnostic. Finally, we propose improved measurement techniques for rotational characterization, exploiting the linearity of rotational effects on the underlying p/g-modes, while still accounting for these mixed-mode coupling effects.","lang":"eng"}],"date_published":"2022-11-16T00:00:00Z","arxiv":1,"article_processing_charge":"No","issue":"1","scopus_import":"1","external_id":{"arxiv":["2210.01928"]},"date_updated":"2023-09-06T07:27:45Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_identifier":{"eissn":["1538-4357"],"issn":["0004-637X"]},"article_type":"original","oa_version":"Published Version","year":"2022"},{"volume":941,"main_file_link":[{"open_access":"1","url":"https://doi.org/10.3847/1538-4357/aca295"}],"oa":1,"publication_status":"published","date_published":"2022-12-27T00:00:00Z","_id":"13451","abstract":[{"lang":"eng","text":"We characterize massive stars (M > 8 M⊙) in the nearby (D ∼ 0.8 Mpc) extremely metal-poor (Z ∼ 5% Z⊙) galaxy Leo A using Hubble Space Telescope ultraviolet (UV), optical, and near-infrared (NIR) imaging along with Keck/Low-Resolution Imaging Spectrograph and MMT/Binospec optical spectroscopy for 18 main-sequence OB stars. We find that: (a) 12 of our 18 stars show emission lines, despite not being associated with an H ii region, suggestive of stellar activity (e.g., mass loss, accretion, binary star interaction), which is consistent with previous predictions of enhanced activity at low metallicity; (b) six are Be stars, which are the first to be spectroscopically studied at such low metallicity—these Be stars have unusual panchromatic SEDs; (c) for stars well fit by the TLUSTY nonlocal thermodynamic equilibrium models, the photometric and spectroscopic values of $\\mathrm{log}({T}_{\\mathrm{eff}})$ and $\\mathrm{log}(g)$ agree to within ∼0.01 dex and ∼0.18 dex, respectively, indicating that near-UV/optical/NIR imaging can be used to reliably characterize massive (M ∼ 8–30 M⊙) main-sequence star properties relative to optical spectroscopy; (d) the properties of the most-massive stars in H II regions are consistent with constraints from previous nebular emission line studies; and (e) 13 stars with M > 8M⊙ are >40 pc from a known star cluster or H II region. Our sample comprises ∼50% of all known massive stars at Z ≲ 10% Z⊙with derived stellar parameters, high-quality optical spectra, and panchromatic photometry."}],"article_number":"206","article_processing_charge":"No","issue":"2","arxiv":1,"publication_identifier":{"eissn":["1538-4357"],"issn":["0004-637X"]},"scopus_import":"1","external_id":{"arxiv":["2211.14349"]},"date_updated":"2023-08-21T12:04:58Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"Published Version","year":"2022","article_type":"original","intvolume":"       941","status":"public","publication":"The Astrophysical Journal","quality_controlled":"1","publisher":"American Astronomical Society","date_created":"2023-08-03T10:10:25Z","month":"12","extern":"1","doi":"10.3847/1538-4357/aca295","keyword":["Space and Planetary Science","Astronomy and Astrophysics"],"language":[{"iso":"eng"}],"author":[{"first_name":"Maude","full_name":"Gull, Maude","last_name":"Gull"},{"last_name":"Weisz","first_name":"Daniel R.","full_name":"Weisz, Daniel R."},{"last_name":"Senchyna","full_name":"Senchyna, Peter","first_name":"Peter"},{"last_name":"Sandford","full_name":"Sandford, Nathan R.","first_name":"Nathan R."},{"first_name":"Yumi","full_name":"Choi, Yumi","last_name":"Choi"},{"last_name":"McLeod","full_name":"McLeod, Anna F.","first_name":"Anna F."},{"first_name":"Kareem","full_name":"El-Badry, Kareem","last_name":"El-Badry"},{"orcid":"0000-0002-6960-6911","id":"d0648d0c-0f64-11ee-a2e0-dd0faa2e4f7d","last_name":"Götberg","full_name":"Götberg, Ylva Louise Linsdotter","first_name":"Ylva Louise Linsdotter"},{"full_name":"Gilbert, Karoline M.","first_name":"Karoline M.","last_name":"Gilbert"},{"full_name":"Boyer, Martha","first_name":"Martha","last_name":"Boyer"},{"full_name":"Dalcanton, Julianne J.","first_name":"Julianne J.","last_name":"Dalcanton"},{"last_name":"GuhaThakurta","first_name":"Puragra","full_name":"GuhaThakurta, Puragra"},{"full_name":"Goldman, Steven","first_name":"Steven","last_name":"Goldman"},{"last_name":"Marigo","full_name":"Marigo, Paola","first_name":"Paola"},{"full_name":"McQuinn, Kristen B. W.","first_name":"Kristen B. W.","last_name":"McQuinn"},{"first_name":"Giada","full_name":"Pastorelli, Giada","last_name":"Pastorelli"},{"last_name":"Stark","full_name":"Stark, Daniel P.","first_name":"Daniel P."},{"first_name":"Evan","full_name":"Skillman, Evan","last_name":"Skillman"},{"last_name":"Ting","full_name":"Ting, Yuan-sen","first_name":"Yuan-sen"},{"full_name":"Williams, Benjamin F.","first_name":"Benjamin F.","last_name":"Williams"}],"type":"journal_article","day":"27","title":"A panchromatic study of massive stars in the extremely metal-poor local group dwarf galaxy Leo A","citation":{"ama":"Gull M, Weisz DR, Senchyna P, et al. A panchromatic study of massive stars in the extremely metal-poor local group dwarf galaxy Leo A. <i>The Astrophysical Journal</i>. 2022;941(2). doi:<a href=\"https://doi.org/10.3847/1538-4357/aca295\">10.3847/1538-4357/aca295</a>","apa":"Gull, M., Weisz, D. R., Senchyna, P., Sandford, N. R., Choi, Y., McLeod, A. F., … Williams, B. F. (2022). A panchromatic study of massive stars in the extremely metal-poor local group dwarf galaxy Leo A. <i>The Astrophysical Journal</i>. American Astronomical Society. <a href=\"https://doi.org/10.3847/1538-4357/aca295\">https://doi.org/10.3847/1538-4357/aca295</a>","short":"M. Gull, D.R. Weisz, P. Senchyna, N.R. Sandford, Y. Choi, A.F. McLeod, K. El-Badry, Y.L.L. Götberg, K.M. Gilbert, M. Boyer, J.J. Dalcanton, P. GuhaThakurta, S. Goldman, P. Marigo, K.B.W. McQuinn, G. Pastorelli, D.P. Stark, E. Skillman, Y. Ting, B.F. Williams, The Astrophysical Journal 941 (2022).","mla":"Gull, Maude, et al. “A Panchromatic Study of Massive Stars in the Extremely Metal-Poor Local Group Dwarf Galaxy Leo A.” <i>The Astrophysical Journal</i>, vol. 941, no. 2, 206, American Astronomical Society, 2022, doi:<a href=\"https://doi.org/10.3847/1538-4357/aca295\">10.3847/1538-4357/aca295</a>.","chicago":"Gull, Maude, Daniel R. Weisz, Peter Senchyna, Nathan R. Sandford, Yumi Choi, Anna F. McLeod, Kareem El-Badry, et al. “A Panchromatic Study of Massive Stars in the Extremely Metal-Poor Local Group Dwarf Galaxy Leo A.” <i>The Astrophysical Journal</i>. American Astronomical Society, 2022. <a href=\"https://doi.org/10.3847/1538-4357/aca295\">https://doi.org/10.3847/1538-4357/aca295</a>.","ista":"Gull M, Weisz DR, Senchyna P, Sandford NR, Choi Y, McLeod AF, El-Badry K, Götberg YLL, Gilbert KM, Boyer M, Dalcanton JJ, GuhaThakurta P, Goldman S, Marigo P, McQuinn KBW, Pastorelli G, Stark DP, Skillman E, Ting Y, Williams BF. 2022. A panchromatic study of massive stars in the extremely metal-poor local group dwarf galaxy Leo A. The Astrophysical Journal. 941(2), 206.","ieee":"M. Gull <i>et al.</i>, “A panchromatic study of massive stars in the extremely metal-poor local group dwarf galaxy Leo A,” <i>The Astrophysical Journal</i>, vol. 941, no. 2. American Astronomical Society, 2022."}},{"year":"2022","oa_version":"Preprint","article_type":"original","publication_identifier":{"issn":["0035-8711"],"eissn":["1365-2966"]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2023-08-21T12:02:17Z","external_id":{"arxiv":["2209.06350"]},"scopus_import":"1","date_published":"2022-12-01T00:00:00Z","_id":"13452","abstract":[{"text":"Magnetic fields can drastically change predictions of evolutionary models of massive stars via mass-loss quenching, magnetic braking, and efficient angular momentum transport, which we aim to quantify in this work. We use the MESA software instrument to compute an extensive main-sequence grid of stellar structure and evolution models, as well as isochrones, accounting for the effects attributed to a surface fossil magnetic field. The grid is densely populated in initial mass (3–60 M⊙), surface equatorial magnetic field strength (0–50 kG), and metallicity (representative of the Solar neighbourhood and the Magellanic Clouds). We use two magnetic braking and two chemical mixing schemes and compare the model predictions for slowly rotating, nitrogen-enriched (‘Group 2’) stars with observations in the Large Magellanic Cloud. We quantify a range of initial field strengths that allow for producing Group 2 stars and find that typical values (up to a few kG) lead to solutions. Between the subgrids, we find notable departures in surface abundances and evolutionary paths. In our magnetic models, chemical mixing is always less efficient compared to non-magnetic models due to the rapid spin-down. We identify that quasi-chemically homogeneous main sequence evolution by efficient mixing could be prevented by fossil magnetic fields. We recommend comparing this grid of evolutionary models with spectropolarimetric and spectroscopic observations with the goals of (i) revisiting the derived stellar parameters of known magnetic stars, and (ii) observationally constraining the uncertain magnetic braking and chemical mixing schemes.","lang":"eng"}],"issue":"2","article_processing_charge":"No","arxiv":1,"volume":517,"main_file_link":[{"url":"https://arxiv.org/abs/2209.06350","open_access":"1"}],"oa":1,"publication_status":"published","author":[{"first_name":"Z","full_name":"Keszthelyi, Z","last_name":"Keszthelyi"},{"first_name":"A","full_name":"de Koter, A","last_name":"de Koter"},{"orcid":"0000-0002-6960-6911","id":"d0648d0c-0f64-11ee-a2e0-dd0faa2e4f7d","full_name":"Götberg, Ylva Louise Linsdotter","first_name":"Ylva Louise Linsdotter","last_name":"Götberg"},{"last_name":"Meynet","first_name":"G","full_name":"Meynet, G"},{"full_name":"Brands, S A","first_name":"S A","last_name":"Brands"},{"first_name":"V","full_name":"Petit, V","last_name":"Petit"},{"last_name":"Carrington","full_name":"Carrington, M","first_name":"M"},{"last_name":"David-Uraz","full_name":"David-Uraz, A","first_name":"A"},{"first_name":"S T","full_name":"Geen, S T","last_name":"Geen"},{"last_name":"Georgy","full_name":"Georgy, C","first_name":"C"},{"last_name":"Hirschi","full_name":"Hirschi, R","first_name":"R"},{"full_name":"Puls, J","first_name":"J","last_name":"Puls"},{"last_name":"Ramalatswa","first_name":"K J","full_name":"Ramalatswa, K J"},{"last_name":"Shultz","first_name":"M E","full_name":"Shultz, M E"},{"last_name":"ud-Doula","full_name":"ud-Doula, A","first_name":"A"}],"type":"journal_article","day":"01","title":"The effects of surface fossil magnetic fields on massive star evolution: IV. Grids of models at Solar, LMC, and SMC metallicities","citation":{"short":"Z. Keszthelyi, A. de Koter, Y.L.L. Götberg, G. Meynet, S.A. Brands, V. Petit, M. Carrington, A. David-Uraz, S.T. Geen, C. Georgy, R. Hirschi, J. Puls, K.J. Ramalatswa, M.E. Shultz, A. ud-Doula, Monthly Notices of the Royal Astronomical Society 517 (2022) 2028–2055.","apa":"Keszthelyi, Z., de Koter, A., Götberg, Y. L. L., Meynet, G., Brands, S. A., Petit, V., … ud-Doula, A. (2022). The effects of surface fossil magnetic fields on massive star evolution: IV. Grids of models at Solar, LMC, and SMC metallicities. <i>Monthly Notices of the Royal Astronomical Society</i>. Oxford University Press. <a href=\"https://doi.org/10.1093/mnras/stac2598\">https://doi.org/10.1093/mnras/stac2598</a>","ama":"Keszthelyi Z, de Koter A, Götberg YLL, et al. The effects of surface fossil magnetic fields on massive star evolution: IV. Grids of models at Solar, LMC, and SMC metallicities. <i>Monthly Notices of the Royal Astronomical Society</i>. 2022;517(2):2028-2055. doi:<a href=\"https://doi.org/10.1093/mnras/stac2598\">10.1093/mnras/stac2598</a>","ista":"Keszthelyi Z, de Koter A, Götberg YLL, Meynet G, Brands SA, Petit V, Carrington M, David-Uraz A, Geen ST, Georgy C, Hirschi R, Puls J, Ramalatswa KJ, Shultz ME, ud-Doula A. 2022. The effects of surface fossil magnetic fields on massive star evolution: IV. Grids of models at Solar, LMC, and SMC metallicities. Monthly Notices of the Royal Astronomical Society. 517(2), 2028–2055.","ieee":"Z. Keszthelyi <i>et al.</i>, “The effects of surface fossil magnetic fields on massive star evolution: IV. Grids of models at Solar, LMC, and SMC metallicities,” <i>Monthly Notices of the Royal Astronomical Society</i>, vol. 517, no. 2. Oxford University Press, pp. 2028–2055, 2022.","chicago":"Keszthelyi, Z, A de Koter, Ylva Louise Linsdotter Götberg, G Meynet, S A Brands, V Petit, M Carrington, et al. “The Effects of Surface Fossil Magnetic Fields on Massive Star Evolution: IV. Grids of Models at Solar, LMC, and SMC Metallicities.” <i>Monthly Notices of the Royal Astronomical Society</i>. Oxford University Press, 2022. <a href=\"https://doi.org/10.1093/mnras/stac2598\">https://doi.org/10.1093/mnras/stac2598</a>.","mla":"Keszthelyi, Z., et al. “The Effects of Surface Fossil Magnetic Fields on Massive Star Evolution: IV. Grids of Models at Solar, LMC, and SMC Metallicities.” <i>Monthly Notices of the Royal Astronomical Society</i>, vol. 517, no. 2, Oxford University Press, 2022, pp. 2028–55, doi:<a href=\"https://doi.org/10.1093/mnras/stac2598\">10.1093/mnras/stac2598</a>."},"doi":"10.1093/mnras/stac2598","language":[{"iso":"eng"}],"keyword":["Space and Planetary Science","Astronomy and Astrophysics"],"date_created":"2023-08-03T10:10:37Z","extern":"1","month":"12","page":"2028-2055","status":"public","intvolume":"       517","quality_controlled":"1","publication":"Monthly Notices of the Royal Astronomical Society","publisher":"Oxford University Press"},{"quality_controlled":"1","publication":"Nature Photonics","status":"public","intvolume":"        16","publisher":"Springer Nature","extern":"1","month":"09","date_created":"2023-08-09T13:07:51Z","page":"620-624","language":[{"iso":"eng"}],"keyword":["Atomic and Molecular Physics","and Optics","Electronic","Optical and Magnetic Materials"],"doi":"10.1038/s41566-022-01050-7","day":"01","type":"journal_article","author":[{"first_name":"Christian","full_name":"Heide, Christian","last_name":"Heide"},{"last_name":"Kobayashi","first_name":"Yuki","full_name":"Kobayashi, Yuki"},{"last_name":"Baykusheva","full_name":"Baykusheva, Denitsa Rangelova","first_name":"Denitsa Rangelova","id":"71b4d059-2a03-11ee-914d-dfa3beed6530"},{"last_name":"Jain","full_name":"Jain, Deepti","first_name":"Deepti"},{"first_name":"Jonathan A.","full_name":"Sobota, Jonathan A.","last_name":"Sobota"},{"first_name":"Makoto","full_name":"Hashimoto, Makoto","last_name":"Hashimoto"},{"full_name":"Kirchmann, Patrick S.","first_name":"Patrick S.","last_name":"Kirchmann"},{"last_name":"Oh","first_name":"Seongshik","full_name":"Oh, Seongshik"},{"last_name":"Heinz","full_name":"Heinz, Tony F.","first_name":"Tony F."},{"full_name":"Reis, David A.","first_name":"David A.","last_name":"Reis"},{"first_name":"Shambhu","full_name":"Ghimire, Shambhu","last_name":"Ghimire"}],"citation":{"ama":"Heide C, Kobayashi Y, Baykusheva DR, et al. Probing topological phase transitions using high-harmonic generation. <i>Nature Photonics</i>. 2022;16(9):620-624. doi:<a href=\"https://doi.org/10.1038/s41566-022-01050-7\">10.1038/s41566-022-01050-7</a>","apa":"Heide, C., Kobayashi, Y., Baykusheva, D. R., Jain, D., Sobota, J. A., Hashimoto, M., … Ghimire, S. (2022). Probing topological phase transitions using high-harmonic generation. <i>Nature Photonics</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41566-022-01050-7\">https://doi.org/10.1038/s41566-022-01050-7</a>","short":"C. Heide, Y. Kobayashi, D.R. Baykusheva, D. Jain, J.A. Sobota, M. Hashimoto, P.S. Kirchmann, S. Oh, T.F. Heinz, D.A. Reis, S. Ghimire, Nature Photonics 16 (2022) 620–624.","mla":"Heide, Christian, et al. “Probing Topological Phase Transitions Using High-Harmonic Generation.” <i>Nature Photonics</i>, vol. 16, no. 9, Springer Nature, 2022, pp. 620–24, doi:<a href=\"https://doi.org/10.1038/s41566-022-01050-7\">10.1038/s41566-022-01050-7</a>.","chicago":"Heide, Christian, Yuki Kobayashi, Denitsa Rangelova Baykusheva, Deepti Jain, Jonathan A. Sobota, Makoto Hashimoto, Patrick S. Kirchmann, et al. “Probing Topological Phase Transitions Using High-Harmonic Generation.” <i>Nature Photonics</i>. Springer Nature, 2022. <a href=\"https://doi.org/10.1038/s41566-022-01050-7\">https://doi.org/10.1038/s41566-022-01050-7</a>.","ista":"Heide C, Kobayashi Y, Baykusheva DR, Jain D, Sobota JA, Hashimoto M, Kirchmann PS, Oh S, Heinz TF, Reis DA, Ghimire S. 2022. Probing topological phase transitions using high-harmonic generation. Nature Photonics. 16(9), 620–624.","ieee":"C. Heide <i>et al.</i>, “Probing topological phase transitions using high-harmonic generation,” <i>Nature Photonics</i>, vol. 16, no. 9. Springer Nature, pp. 620–624, 2022."},"title":"Probing topological phase transitions using high-harmonic generation","volume":16,"publication_status":"published","_id":"13991","abstract":[{"lang":"eng","text":"The prediction and realization of topological insulators have sparked great interest in experimental approaches to the classification of materials1,2,3. The phase transition between non-trivial and trivial topological states is important, not only for basic materials science but also for next-generation technology, such as dissipation-free electronics4. It is therefore crucial to develop advanced probes that are suitable for a wide range of samples and environments. Here we demonstrate that circularly polarized laser-field-driven high-harmonic generation is distinctly sensitive to the non-trivial and trivial topological phases in the prototypical three-dimensional topological insulator bismuth selenide5. The phase transition is chemically initiated by reducing the spin–orbit interaction strength through the substitution of bismuth with indium atoms6,7. We find strikingly different high-harmonic responses of trivial and non-trivial topological surface states that manifest themselves as a conversion efficiency and elliptical dichroism that depend both on the driving laser ellipticity and the crystal orientation. The origins of the anomalous high-harmonic response are corroborated by calculations using the semiconductor optical Bloch equations with pairs of surface and bulk bands. As a purely optical approach, this method offers sensitivity to the electronic structure of the material, including its nonlinear response, and is compatible with a wide range of samples and sample environments."}],"date_published":"2022-09-01T00:00:00Z","issue":"9","article_processing_charge":"No","date_updated":"2023-08-22T07:20:09Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","publication_identifier":{"issn":["1749-4885"],"eissn":["1749-4893"]},"article_type":"original","oa_version":"None","year":"2022"},{"article_type":"original","oa_version":"Published Version","year":"2022","scopus_import":"1","external_id":{"pmid":["35857523"],"arxiv":["2206.04099"]},"date_updated":"2023-08-22T07:24:01Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_identifier":{"eissn":["2375-2548"]},"arxiv":1,"article_processing_charge":"No","issue":"28","article_number":"abq2811","_id":"13992","date_published":"2022-07-15T00:00:00Z","abstract":[{"lang":"eng","text":"Understanding the chirality of molecular reaction pathways is essential for a broad range of fundamental and applied sciences. However, the current ability to probe chirality on the time scale of primary processes underlying chemical reactions remains very limited. Here, we demonstrate time-resolved photoelectron circular dichroism (TRPECD) with ultrashort circularly polarized vacuum-ultraviolet (VUV) pulses from a tabletop source. We demonstrate the capabilities of VUV-TRPECD by resolving the chirality changes in time during the photodissociation of atomic iodine from two chiral molecules. We identify several general key features of TRPECD, which include the ability to probe dynamical chirality along the complete photochemical reaction path, the sensitivity to the local chirality of the evolving scattering potential, and the influence of electron scattering off dissociating photofragments. Our results are interpreted by comparison with high-level ab-initio calculations of transient PECDs from molecular photoionization calculations. Our experimental and theoretical techniques define a general approach to femtochirality."}],"publication_status":"published","oa":1,"main_file_link":[{"url":"https://doi.org/10.1126/sciadv.abq2811","open_access":"1"}],"volume":8,"citation":{"mla":"Svoboda, Vít, et al. “Femtosecond Photoelectron Circular Dichroism of Chemical Reactions.” <i>Science Advances</i>, vol. 8, no. 28, abq2811, American Association for the Advancement of Science, 2022, doi:<a href=\"https://doi.org/10.1126/sciadv.abq2811\">10.1126/sciadv.abq2811</a>.","ieee":"V. Svoboda <i>et al.</i>, “Femtosecond photoelectron circular dichroism of chemical reactions,” <i>Science Advances</i>, vol. 8, no. 28. American Association for the Advancement of Science, 2022.","ista":"Svoboda V, Ram NB, Baykusheva DR, Zindel D, Waters MDJ, Spenger B, Ochsner M, Herburger H, Stohner J, Wörner HJ. 2022. Femtosecond photoelectron circular dichroism of chemical reactions. Science Advances. 8(28), abq2811.","chicago":"Svoboda, Vít, Niraghatam Bhargava Ram, Denitsa Rangelova Baykusheva, Daniel Zindel, Max D. J. Waters, Benjamin Spenger, Manuel Ochsner, Holger Herburger, Jürgen Stohner, and Hans Jakob Wörner. “Femtosecond Photoelectron Circular Dichroism of Chemical Reactions.” <i>Science Advances</i>. American Association for the Advancement of Science, 2022. <a href=\"https://doi.org/10.1126/sciadv.abq2811\">https://doi.org/10.1126/sciadv.abq2811</a>.","apa":"Svoboda, V., Ram, N. B., Baykusheva, D. R., Zindel, D., Waters, M. D. J., Spenger, B., … Wörner, H. J. (2022). Femtosecond photoelectron circular dichroism of chemical reactions. <i>Science Advances</i>. American Association for the Advancement of Science. <a href=\"https://doi.org/10.1126/sciadv.abq2811\">https://doi.org/10.1126/sciadv.abq2811</a>","ama":"Svoboda V, Ram NB, Baykusheva DR, et al. Femtosecond photoelectron circular dichroism of chemical reactions. <i>Science Advances</i>. 2022;8(28). doi:<a href=\"https://doi.org/10.1126/sciadv.abq2811\">10.1126/sciadv.abq2811</a>","short":"V. Svoboda, N.B. Ram, D.R. Baykusheva, D. Zindel, M.D.J. Waters, B. Spenger, M. Ochsner, H. Herburger, J. Stohner, H.J. Wörner, Science Advances 8 (2022)."},"title":"Femtosecond photoelectron circular dichroism of chemical reactions","day":"15","type":"journal_article","author":[{"last_name":"Svoboda","full_name":"Svoboda, Vít","first_name":"Vít"},{"last_name":"Ram","full_name":"Ram, Niraghatam Bhargava","first_name":"Niraghatam Bhargava"},{"full_name":"Baykusheva, Denitsa Rangelova","first_name":"Denitsa Rangelova","last_name":"Baykusheva","id":"71b4d059-2a03-11ee-914d-dfa3beed6530"},{"last_name":"Zindel","first_name":"Daniel","full_name":"Zindel, Daniel"},{"last_name":"Waters","first_name":"Max D. J.","full_name":"Waters, Max D. J."},{"last_name":"Spenger","first_name":"Benjamin","full_name":"Spenger, Benjamin"},{"first_name":"Manuel","full_name":"Ochsner, Manuel","last_name":"Ochsner"},{"last_name":"Herburger","full_name":"Herburger, Holger","first_name":"Holger"},{"first_name":"Jürgen","full_name":"Stohner, Jürgen","last_name":"Stohner"},{"first_name":"Hans Jakob","full_name":"Wörner, Hans Jakob","last_name":"Wörner"}],"pmid":1,"keyword":["Multidisciplinary"],"language":[{"iso":"eng"}],"doi":"10.1126/sciadv.abq2811","month":"07","extern":"1","date_created":"2023-08-09T13:08:04Z","publisher":"American Association for the Advancement of Science","publication":"Science Advances","quality_controlled":"1","intvolume":"         8","status":"public"},{"volume":76,"oa":1,"main_file_link":[{"open_access":"1","url":"https://doi.org/10.2533/chimia.2022.520"}],"publication_status":"published","abstract":[{"text":"Photoionization is a process taking place on attosecond time scales. How its properties evolve from isolated particles to the condensed phase is an open question of both fundamental and practical relevance. Here, we review recent work that has advanced the study of photoionization dynamics from atoms to molecules, clusters and the liquid phase. The first measurements of molecular photoionization delays have revealed the attosecond dynamics of electron emission from a molecular shape resonance and their sensitivity to the molecular potential. Using electron-ion coincidence spectroscopy these measurements have been extended from isolated molecules to clusters. A continuous increase of the delays with the water-cluster size has been observed up to a size of 4-5 molecules, followed by a saturation towards larger clusters. Comparison with calculations has revealed a correlation of the time delay with the spatial extension of the created electron hole. Using cylindrical liquid-microjet techniques, these measurements have also been extended to liquid water, revealing a delay relative to isolated water molecules that was very similar to the largest water clusters studied. Detailed modeling based on Monte-Carlo simulations confirmed that these delays are dominated by the contributions of the first two solvation shells, which agrees with the results of the cluster measurements. These combined results open the perspective of experimentally characterizing the delocalization of electronic wave functions in complex systems and studying their evolution on attosecond time scales.","lang":"eng"}],"_id":"13993","date_published":"2022-06-29T00:00:00Z","article_processing_charge":"No","issue":"6","publication_identifier":{"issn":["0009-4293"],"eissn":["2673-2424"]},"scopus_import":"1","date_updated":"2023-08-22T07:26:39Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","year":"2022","oa_version":"Published Version","article_type":"original","intvolume":"        76","status":"public","publication":"Chimia","quality_controlled":"1","publisher":"Swiss Chemical Society","date_created":"2023-08-09T13:08:15Z","month":"06","extern":"1","page":"520-528","doi":"10.2533/chimia.2022.520","keyword":["General Medicine","General Chemistry"],"language":[{"iso":"eng"}],"type":"journal_article","author":[{"last_name":"Gong","first_name":"Xiaochun","full_name":"Gong, Xiaochun"},{"first_name":"Inga","full_name":"Jordan, Inga","last_name":"Jordan"},{"first_name":"Martin","full_name":"Huppert, Martin","last_name":"Huppert"},{"first_name":"Saijoscha","full_name":"Heck, Saijoscha","last_name":"Heck"},{"id":"71b4d059-2a03-11ee-914d-dfa3beed6530","full_name":"Baykusheva, Denitsa Rangelova","first_name":"Denitsa Rangelova","last_name":"Baykusheva"},{"first_name":"Denis","full_name":"Jelovina, Denis","last_name":"Jelovina"},{"first_name":"Axel","full_name":"Schild, Axel","last_name":"Schild"},{"last_name":"Wörner","first_name":"Hans Jakob","full_name":"Wörner, Hans Jakob"}],"day":"29","title":"Attosecond photoionization dynamics: from molecules over clusters to the liquid phase","citation":{"short":"X. Gong, I. Jordan, M. Huppert, S. Heck, D.R. Baykusheva, D. Jelovina, A. Schild, H.J. Wörner, Chimia 76 (2022) 520–528.","ama":"Gong X, Jordan I, Huppert M, et al. Attosecond photoionization dynamics: from molecules over clusters to the liquid phase. <i>Chimia</i>. 2022;76(6):520-528. doi:<a href=\"https://doi.org/10.2533/chimia.2022.520\">10.2533/chimia.2022.520</a>","apa":"Gong, X., Jordan, I., Huppert, M., Heck, S., Baykusheva, D. R., Jelovina, D., … Wörner, H. J. (2022). Attosecond photoionization dynamics: from molecules over clusters to the liquid phase. <i>Chimia</i>. Swiss Chemical Society. <a href=\"https://doi.org/10.2533/chimia.2022.520\">https://doi.org/10.2533/chimia.2022.520</a>","chicago":"Gong, Xiaochun, Inga Jordan, Martin Huppert, Saijoscha Heck, Denitsa Rangelova Baykusheva, Denis Jelovina, Axel Schild, and Hans Jakob Wörner. “Attosecond Photoionization Dynamics: From Molecules over Clusters to the Liquid Phase.” <i>Chimia</i>. Swiss Chemical Society, 2022. <a href=\"https://doi.org/10.2533/chimia.2022.520\">https://doi.org/10.2533/chimia.2022.520</a>.","ieee":"X. Gong <i>et al.</i>, “Attosecond photoionization dynamics: from molecules over clusters to the liquid phase,” <i>Chimia</i>, vol. 76, no. 6. Swiss Chemical Society, pp. 520–528, 2022.","ista":"Gong X, Jordan I, Huppert M, Heck S, Baykusheva DR, Jelovina D, Schild A, Wörner HJ. 2022. Attosecond photoionization dynamics: from molecules over clusters to the liquid phase. Chimia. 76(6), 520–528.","mla":"Gong, Xiaochun, et al. “Attosecond Photoionization Dynamics: From Molecules over Clusters to the Liquid Phase.” <i>Chimia</i>, vol. 76, no. 6, Swiss Chemical Society, 2022, pp. 520–28, doi:<a href=\"https://doi.org/10.2533/chimia.2022.520\">10.2533/chimia.2022.520</a>."}},{"type":"journal_article","author":[{"id":"71b4d059-2a03-11ee-914d-dfa3beed6530","first_name":"Denitsa Rangelova","full_name":"Baykusheva, Denitsa Rangelova","last_name":"Baykusheva"},{"last_name":"Jang","first_name":"Hoyoung","full_name":"Jang, Hoyoung"},{"full_name":"Husain, Ali A.","first_name":"Ali A.","last_name":"Husain"},{"first_name":"Sangjun","full_name":"Lee, Sangjun","last_name":"Lee"},{"first_name":"Sophia F. R.","full_name":"TenHuisen, Sophia F. R.","last_name":"TenHuisen"},{"last_name":"Zhou","full_name":"Zhou, Preston","first_name":"Preston"},{"first_name":"Sunwook","full_name":"Park, Sunwook","last_name":"Park"},{"last_name":"Kim","first_name":"Hoon","full_name":"Kim, Hoon"},{"last_name":"Kim","full_name":"Kim, Jin-Kwang","first_name":"Jin-Kwang"},{"first_name":"Hyeong-Do","full_name":"Kim, Hyeong-Do","last_name":"Kim"},{"last_name":"Kim","full_name":"Kim, Minseok","first_name":"Minseok"},{"last_name":"Park","full_name":"Park, Sang-Youn","first_name":"Sang-Youn"},{"first_name":"Peter","full_name":"Abbamonte, Peter","last_name":"Abbamonte"},{"last_name":"Kim","first_name":"B. J.","full_name":"Kim, B. J."},{"last_name":"Gu","first_name":"G. D.","full_name":"Gu, G. D."},{"first_name":"Yao","full_name":"Wang, Yao","last_name":"Wang"},{"last_name":"Mitrano","first_name":"Matteo","full_name":"Mitrano, Matteo"}],"day":"20","title":"Ultrafast renormalization of the on-site Coulomb repulsion in a cuprate superconductor","citation":{"ista":"Baykusheva DR, Jang H, Husain AA, Lee S, TenHuisen SFR, Zhou P, Park S, Kim H, Kim J-K, Kim H-D, Kim M, Park S-Y, Abbamonte P, Kim BJ, Gu GD, Wang Y, Mitrano M. 2022. Ultrafast renormalization of the on-site Coulomb repulsion in a cuprate superconductor. Physical Review X. 12(1), 011013.","ieee":"D. R. Baykusheva <i>et al.</i>, “Ultrafast renormalization of the on-site Coulomb repulsion in a cuprate superconductor,” <i>Physical Review X</i>, vol. 12, no. 1. American Physical Society, 2022.","chicago":"Baykusheva, Denitsa Rangelova, Hoyoung Jang, Ali A. Husain, Sangjun Lee, Sophia F. R. TenHuisen, Preston Zhou, Sunwook Park, et al. “Ultrafast Renormalization of the On-Site Coulomb Repulsion in a Cuprate Superconductor.” <i>Physical Review X</i>. American Physical Society, 2022. <a href=\"https://doi.org/10.1103/physrevx.12.011013\">https://doi.org/10.1103/physrevx.12.011013</a>.","mla":"Baykusheva, Denitsa Rangelova, et al. “Ultrafast Renormalization of the On-Site Coulomb Repulsion in a Cuprate Superconductor.” <i>Physical Review X</i>, vol. 12, no. 1, 011013, American Physical Society, 2022, doi:<a href=\"https://doi.org/10.1103/physrevx.12.011013\">10.1103/physrevx.12.011013</a>.","short":"D.R. Baykusheva, H. Jang, A.A. Husain, S. Lee, S.F.R. TenHuisen, P. Zhou, S. Park, H. Kim, J.-K. Kim, H.-D. Kim, M. Kim, S.-Y. Park, P. Abbamonte, B.J. Kim, G.D. Gu, Y. Wang, M. Mitrano, Physical Review X 12 (2022).","apa":"Baykusheva, D. R., Jang, H., Husain, A. A., Lee, S., TenHuisen, S. F. R., Zhou, P., … Mitrano, M. (2022). Ultrafast renormalization of the on-site Coulomb repulsion in a cuprate superconductor. <i>Physical Review X</i>. American Physical Society. <a href=\"https://doi.org/10.1103/physrevx.12.011013\">https://doi.org/10.1103/physrevx.12.011013</a>","ama":"Baykusheva DR, Jang H, Husain AA, et al. Ultrafast renormalization of the on-site Coulomb repulsion in a cuprate superconductor. <i>Physical Review X</i>. 2022;12(1). doi:<a href=\"https://doi.org/10.1103/physrevx.12.011013\">10.1103/physrevx.12.011013</a>"},"doi":"10.1103/physrevx.12.011013","language":[{"iso":"eng"}],"keyword":["General Physics and Astronomy"],"date_created":"2023-08-09T13:08:26Z","extern":"1","month":"01","intvolume":"        12","status":"public","quality_controlled":"1","publication":"Physical Review X","publisher":"American Physical Society","oa_version":"Published Version","year":"2022","article_type":"original","publication_identifier":{"eissn":["2160-3308"]},"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2023-08-22T07:28:38Z","scopus_import":"1","external_id":{"arxiv":["2109.13229"]},"_id":"13994","abstract":[{"text":"Ultrafast lasers are an increasingly important tool to control and stabilize emergent phases in quantum materials. Among a variety of possible excitation protocols, a particularly intriguing route is the direct light engineering of microscopic electronic parameters, such as the electron hopping and the local Coulomb repulsion (Hubbard \r\nU). In this work, we use time-resolved x-ray absorption spectroscopy to demonstrate the light-induced renormalization of the Hubbard U in a cuprate superconductor, La1.905Ba0.095CuO4. We show that intense femtosecond laser pulses induce a substantial redshift of the upper Hubbard band while leaving the Zhang-Rice singlet energy unaffected. By comparing the experimental data to time-dependent spectra of single- and three-band Hubbard models, we assign this effect to an approximately 140-meV reduction of the on-site Coulomb repulsion on the copper sites. Our demonstration of a dynamical Hubbard U renormalization in a copper oxide paves the way to a novel strategy for the manipulation of superconductivity and magnetism as well as to the realization of other long-range-ordered phases in light-driven quantum materials.","lang":"eng"}],"date_published":"2022-01-20T00:00:00Z","article_number":"011013","issue":"1","article_processing_charge":"No","arxiv":1,"volume":12,"oa":1,"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1103/PhysRevX.12.011013"}],"publication_status":"published"},{"publisher":"ML Research Press","publication":"Proceedings of the 25th International Conference on Artificial Intelligence and Statistics","quality_controlled":"1","department":[{"_id":"FrLo"}],"status":"public","intvolume":"       151","page":"8439-8457","month":"04","extern":"1","date_created":"2023-08-21T09:27:43Z","language":[{"iso":"eng"}],"citation":{"mla":"Dresdner, Gideon, et al. “ Faster One-Sample Stochastic Conditional Gradient Method for Composite Convex Minimization.” <i>Proceedings of the 25th International Conference on Artificial Intelligence and Statistics</i>, vol. 151, ML Research Press, 2022, pp. 8439–57.","ieee":"G. Dresdner, M.-L. Vladarean, G. Rätsch, F. Locatello, V. Cevher, and A. Yurtsever, “ Faster one-sample stochastic conditional gradient method for composite convex minimization,” in <i>Proceedings of the 25th International Conference on Artificial Intelligence and Statistics</i>, Virtual, 2022, vol. 151, pp. 8439–8457.","ista":"Dresdner G, Vladarean M-L, Rätsch G, Locatello F, Cevher V, Yurtsever A. 2022.  Faster one-sample stochastic conditional gradient method for composite convex minimization. Proceedings of the 25th International Conference on Artificial Intelligence and Statistics. AISTATS: Conference on Artificial Intelligence and Statistics, PMLR, vol. 151, 8439–8457.","chicago":"Dresdner, Gideon, Maria-Luiza Vladarean, Gunnar Rätsch, Francesco Locatello, Volkan Cevher, and Alp Yurtsever. “ Faster One-Sample Stochastic Conditional Gradient Method for Composite Convex Minimization.” In <i>Proceedings of the 25th International Conference on Artificial Intelligence and Statistics</i>, 151:8439–57. ML Research Press, 2022.","apa":"Dresdner, G., Vladarean, M.-L., Rätsch, G., Locatello, F., Cevher, V., &#38; Yurtsever, A. (2022).  Faster one-sample stochastic conditional gradient method for composite convex minimization. In <i>Proceedings of the 25th International Conference on Artificial Intelligence and Statistics</i> (Vol. 151, pp. 8439–8457). Virtual: ML Research Press.","ama":"Dresdner G, Vladarean M-L, Rätsch G, Locatello F, Cevher V, Yurtsever A.  Faster one-sample stochastic conditional gradient method for composite convex minimization. In: <i>Proceedings of the 25th International Conference on Artificial Intelligence and Statistics</i>. Vol 151. ML Research Press; 2022:8439-8457.","short":"G. Dresdner, M.-L. Vladarean, G. Rätsch, F. Locatello, V. Cevher, A. Yurtsever, in:, Proceedings of the 25th International Conference on Artificial Intelligence and Statistics, ML Research Press, 2022, pp. 8439–8457."},"title":" Faster one-sample stochastic conditional gradient method for composite convex minimization","conference":{"name":"AISTATS: Conference on Artificial Intelligence and Statistics","end_date":"2022-03-30","start_date":"2022-03-28","location":"Virtual"},"day":"01","author":[{"last_name":"Dresdner","first_name":"Gideon","full_name":"Dresdner, Gideon"},{"last_name":"Vladarean","first_name":"Maria-Luiza","full_name":"Vladarean, Maria-Luiza"},{"full_name":"Rätsch, Gunnar","first_name":"Gunnar","last_name":"Rätsch"},{"last_name":"Locatello","first_name":"Francesco","full_name":"Locatello, Francesco","id":"26cfd52f-2483-11ee-8040-88983bcc06d4","orcid":"0000-0002-4850-0683"},{"last_name":"Cevher","full_name":"Cevher, Volkan","first_name":"Volkan"},{"first_name":"Alp","full_name":"Yurtsever, Alp","last_name":"Yurtsever"}],"type":"conference","alternative_title":["PMLR"],"publication_status":"published","main_file_link":[{"url":"https://arxiv.org/abs/2202.13212","open_access":"1"}],"oa":1,"volume":151,"arxiv":1,"article_processing_charge":"No","date_published":"2022-04-01T00:00:00Z","_id":"14093","abstract":[{"lang":"eng","text":" We propose a stochastic conditional gradient method (CGM) for minimizing convex finite-sum objectives formed as a sum of smooth and non-smooth terms. Existing CGM variants for this template either suffer from slow convergence rates, or require carefully increasing the batch size over the course of the algorithm’s execution, which leads to computing full gradients. In contrast, the proposed method, equipped with a stochastic average gradient (SAG) estimator, requires only one sample per iteration. Nevertheless, it guarantees fast convergence rates on par with more sophisticated variance reduction techniques. In applications we put special emphasis on problems with a large number of separable constraints. Such problems are prevalent among semidefinite programming (SDP) formulations arising in machine learning and theoretical computer science. We provide numerical experiments on matrix completion, unsupervised clustering, and sparsest-cut SDPs. "}],"external_id":{"arxiv":["2202.13212"]},"scopus_import":"1","date_updated":"2023-09-06T10:28:17Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_identifier":{"issn":["2640-3498"]},"oa_version":"Preprint","year":"2022"}]