[{"citation":{"ista":"Traxler M, Reischauer S, Vogl S, Roeser J, Rabeah J, Penschke C, Saalfrank P, Pieber B, Thomas A. 2023. Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts. Chemistry – A European Journal. 29(4), e202202967.","ieee":"M. Traxler et al., “Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts,” Chemistry – A European Journal, vol. 29, no. 4. Wiley, 2023.","apa":"Traxler, M., Reischauer, S., Vogl, S., Roeser, J., Rabeah, J., Penschke, C., … Thomas, A. (2023). Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts. Chemistry – A European Journal. Wiley. https://doi.org/10.1002/chem.202202967","ama":"Traxler M, Reischauer S, Vogl S, et al. Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts. Chemistry – A European Journal. 2023;29(4). doi:10.1002/chem.202202967","chicago":"Traxler, Michael, Susanne Reischauer, Sarah Vogl, Jérôme Roeser, Jabor Rabeah, Christopher Penschke, Peter Saalfrank, Bartholomäus Pieber, and Arne Thomas. “Programmable Photocatalytic Activity of Multicomponent Covalent Organic Frameworks Used as Metallaphotocatalysts.” Chemistry – A European Journal. Wiley, 2023. https://doi.org/10.1002/chem.202202967.","mla":"Traxler, Michael, et al. “Programmable Photocatalytic Activity of Multicomponent Covalent Organic Frameworks Used as Metallaphotocatalysts.” Chemistry – A European Journal, vol. 29, no. 4, e202202967, Wiley, 2023, doi:10.1002/chem.202202967.","short":"M. Traxler, S. Reischauer, S. Vogl, J. Roeser, J. Rabeah, C. Penschke, P. Saalfrank, B. Pieber, A. Thomas, Chemistry – A European Journal 29 (2023)."},"publication":"Chemistry – A European Journal","article_type":"original","date_published":"2023-01-18T00:00:00Z","scopus_import":"1","keyword":["General Chemistry","Catalysis","Organic Chemistry"],"article_processing_charge":"No","day":"18","_id":"12920","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","intvolume":" 29","status":"public","title":"Programmable photocatalytic activity of multicomponent covalent organic frameworks used as metallaphotocatalysts","oa_version":"Published Version","type":"journal_article","issue":"4","abstract":[{"lang":"eng","text":"The multicomponent approach allows to incorporate several functionalities into a single covalent organic framework (COF) and consequently allows the construction of bifunctional materials for cooperative catalysis. The well-defined structure of such multicomponent COFs is furthermore ideally suited for structure-activity relationship studies. We report a series of multicomponent COFs that contain acridine- and 2,2’-bipyridine linkers connected through 1,3,5-benzenetrialdehyde derivatives. The acridine motif is responsible for broad light absorption, while the bipyridine unit enables complexation of nickel catalysts. These features enable the usage of the framework materials as catalysts for light-mediated carbon−heteroatom cross-couplings. Variation of the node units shows that the catalytic activity correlates to the keto-enamine tautomer isomerism. This allows switching between high charge-carrier mobility and persistent, localized charge-separated species depending on the nodes, a tool to tailor the materials for specific reactions. Moreover, nickel-loaded COFs are recyclable and catalyze cross-couplings even using red light irradiation."}],"main_file_link":[{"url":"https://doi.org/10.1002/chem.202202967","open_access":"1"}],"oa":1,"quality_controlled":"1","doi":"10.1002/chem.202202967","language":[{"iso":"eng"}],"publication_identifier":{"issn":["0947-6539"],"eissn":["1521-3765"]},"month":"01","year":"2023","publisher":"Wiley","publication_status":"published","author":[{"last_name":"Traxler","first_name":"Michael","full_name":"Traxler, Michael"},{"last_name":"Reischauer","first_name":"Susanne","full_name":"Reischauer, Susanne"},{"first_name":"Sarah","last_name":"Vogl","full_name":"Vogl, Sarah"},{"full_name":"Roeser, Jérôme","first_name":"Jérôme","last_name":"Roeser"},{"full_name":"Rabeah, Jabor","first_name":"Jabor","last_name":"Rabeah"},{"full_name":"Penschke, Christopher","last_name":"Penschke","first_name":"Christopher"},{"full_name":"Saalfrank, Peter","first_name":"Peter","last_name":"Saalfrank"},{"last_name":"Pieber","first_name":"Bartholomäus","orcid":"0000-0001-8689-388X","id":"93e5e5b2-0da6-11ed-8a41-af589a024726","full_name":"Pieber, Bartholomäus"},{"first_name":"Arne","last_name":"Thomas","full_name":"Thomas, Arne"}],"volume":29,"date_updated":"2023-05-15T08:39:24Z","date_created":"2023-05-08T08:25:34Z","article_number":"e202202967","extern":"1"},{"publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"month":"02","quality_controlled":"1","external_id":{"pmid":["36757850"]},"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1021/jacs.2c11973"}],"oa":1,"language":[{"iso":"eng"}],"doi":"10.1021/jacs.2c11973","extern":"1","publisher":"American Chemical Society","publication_status":"published","pmid":1,"year":"2023","volume":145,"date_created":"2023-08-01T09:33:08Z","date_updated":"2023-08-02T10:44:22Z","author":[{"full_name":"Wang, Jinhua","first_name":"Jinhua","last_name":"Wang"},{"last_name":"Peled","first_name":"Tzuf Shay","full_name":"Peled, Tzuf Shay"},{"full_name":"Klajn, Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","first_name":"Rafal","last_name":"Klajn"}],"keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"scopus_import":"1","article_processing_charge":"No","day":"09","page":"4098-4108","article_type":"original","citation":{"ama":"Wang J, Peled TS, Klajn R. Photocleavable anionic glues for light-responsive nanoparticle aggregates. Journal of the American Chemical Society. 2023;145(7):4098-4108. doi:10.1021/jacs.2c11973","ista":"Wang J, Peled TS, Klajn R. 2023. Photocleavable anionic glues for light-responsive nanoparticle aggregates. Journal of the American Chemical Society. 145(7), 4098–4108.","ieee":"J. Wang, T. S. Peled, and R. Klajn, “Photocleavable anionic glues for light-responsive nanoparticle aggregates,” Journal of the American Chemical Society, vol. 145, no. 7. American Chemical Society, pp. 4098–4108, 2023.","apa":"Wang, J., Peled, T. S., & Klajn, R. (2023). Photocleavable anionic glues for light-responsive nanoparticle aggregates. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.2c11973","mla":"Wang, Jinhua, et al. “Photocleavable Anionic Glues for Light-Responsive Nanoparticle Aggregates.” Journal of the American Chemical Society, vol. 145, no. 7, American Chemical Society, 2023, pp. 4098–108, doi:10.1021/jacs.2c11973.","short":"J. Wang, T.S. Peled, R. Klajn, Journal of the American Chemical Society 145 (2023) 4098–4108.","chicago":"Wang, Jinhua, Tzuf Shay Peled, and Rafal Klajn. “Photocleavable Anionic Glues for Light-Responsive Nanoparticle Aggregates.” Journal of the American Chemical Society. American Chemical Society, 2023. https://doi.org/10.1021/jacs.2c11973."},"publication":"Journal of the American Chemical Society","date_published":"2023-02-09T00:00:00Z","type":"journal_article","issue":"7","abstract":[{"text":"Integrating light-sensitive molecules within nanoparticle (NP) assemblies is an attractive approach to fabricate new photoresponsive nanomaterials. Here, we describe the concept of photocleavable anionic glue (PAG): small trianions capable of mediating interactions between (and inducing the aggregation of) cationic NPs by means of electrostatic interactions. Exposure to light converts PAGs into dianionic products incapable of maintaining the NPs in an assembled state, resulting in light-triggered disassembly of NP aggregates. To demonstrate the proof-of-concept, we work with an organic PAG incorporating the UV-cleavable o-nitrobenzyl moiety and an inorganic PAG, the photosensitive trioxalatocobaltate(III) complex, which absorbs light across the entire visible spectrum. Both PAGs were used to prepare either amorphous NP assemblies or regular superlattices with a long-range NP order. These NP aggregates disassembled rapidly upon light exposure for a specific time, which could be tuned by the incident light wavelength or the amount of PAG used. Selective excitation of the inorganic PAG in a system combining the two PAGs results in a photodecomposition product that deactivates the organic PAG, enabling nontrivial disassembly profiles under a single type of external stimulus.","lang":"eng"}],"intvolume":" 145","title":"Photocleavable anionic glues for light-responsive nanoparticle aggregates","status":"public","_id":"13354","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"Published Version"},{"date_published":"2023-03-15T00:00:00Z","article_type":"original","publication":"Applied Surface Science","citation":{"ieee":"L. Zhang et al., “Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient,” Applied Surface Science, vol. 613. Elsevier, 2023.","apa":"Zhang, L., Liu, X., Wu, T., Xu, S., Suo, G., Ye, X., … Wang, H. (2023). Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient. Applied Surface Science. Elsevier. https://doi.org/10.1016/j.apsusc.2022.156101","ista":"Zhang L, Liu X, Wu T, Xu S, Suo G, Ye X, Hou X, Yang Y, Liu Q, Wang H. 2023. Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient. Applied Surface Science. 613, 156101.","ama":"Zhang L, Liu X, Wu T, et al. Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient. Applied Surface Science. 2023;613. doi:10.1016/j.apsusc.2022.156101","chicago":"Zhang, Li, Xingyu Liu, Ting Wu, Shengduo Xu, Guoquan Suo, Xiaohui Ye, Xiaojiang Hou, Yanling Yang, Qingfeng Liu, and Hongqiang Wang. “Two-Step Post-Treatment to Deliver High Performance Thermoelectric Device with Vertical Temperature Gradient.” Applied Surface Science. Elsevier, 2023. https://doi.org/10.1016/j.apsusc.2022.156101.","short":"L. Zhang, X. Liu, T. Wu, S. Xu, G. Suo, X. Ye, X. Hou, Y. Yang, Q. Liu, H. Wang, Applied Surface Science 613 (2023).","mla":"Zhang, Li, et al. “Two-Step Post-Treatment to Deliver High Performance Thermoelectric Device with Vertical Temperature Gradient.” Applied Surface Science, vol. 613, 156101, Elsevier, 2023, doi:10.1016/j.apsusc.2022.156101."},"day":"15","article_processing_charge":"No","keyword":["Surfaces","Coatings and Films","Condensed Matter Physics","Surfaces and Interfaces","General Physics and Astronomy","General Chemistry"],"scopus_import":"1","oa_version":"None","status":"public","title":"Two-step post-treatment to deliver high performance thermoelectric device with vertical temperature gradient","intvolume":" 613","_id":"12113","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","abstract":[{"text":"The power factor of poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) film can be significantly improved by optimizing the oxidation level of the film in oxidation and reduction processes. However, precise control over the oxidation and reduction effects in PEDOT:PSS remains a challenge, which greatly sacrifices both S and σ. Here, we propose a two-step post-treatment using a mixture of ethylene glycol (EG) and Arginine (Arg) and sulfuric acid (H2SO4) in sequence to engineer high-performance PEDOT:PSS thermoelectric films. The high-polarity EG dopant removes the excess non-ionized PSS and induces benzenoid-to-quinoid conformational change in the PEDOT:PSS films. In particular, basic amino acid Arg tunes the oxidation level of PEDOT:PSS and prevents the films from over-oxidation during H2SO4 post-treatment, leading to increased S. The following H2SO4 post-treatment further induces highly orientated lamellar stacking microstructures to increase σ, yielding a maximum power factor of 170.6 μW m−1 K−2 at 460 K. Moreover, a novel trigonal-shape thermoelectric device is designed and assembled by the as-prepared PEDOT:PSS films in order to harvest heat via a vertical temperature gradient. An output power density of 33 μW cm−2 is generated at a temperature difference of 40 K, showing the potential application for low-grade wearable electronic devices.","lang":"eng"}],"type":"journal_article","language":[{"iso":"eng"}],"doi":"10.1016/j.apsusc.2022.156101","isi":1,"quality_controlled":"1","external_id":{"isi":["000911497000001"]},"month":"03","publication_identifier":{"issn":["0169-4332"]},"date_updated":"2023-08-14T11:47:06Z","date_created":"2023-01-12T11:55:02Z","volume":613,"author":[{"first_name":"Li","last_name":"Zhang","full_name":"Zhang, Li"},{"full_name":"Liu, Xingyu","last_name":"Liu","first_name":"Xingyu"},{"full_name":"Wu, Ting","first_name":"Ting","last_name":"Wu"},{"full_name":"Xu, Shengduo","first_name":"Shengduo","last_name":"Xu","id":"12ab8624-4c8a-11ec-9e11-e1ac2438f22f"},{"full_name":"Suo, Guoquan","last_name":"Suo","first_name":"Guoquan"},{"first_name":"Xiaohui","last_name":"Ye","full_name":"Ye, Xiaohui"},{"full_name":"Hou, Xiaojiang","first_name":"Xiaojiang","last_name":"Hou"},{"full_name":"Yang, Yanling","last_name":"Yang","first_name":"Yanling"},{"full_name":"Liu, Qingfeng","first_name":"Qingfeng","last_name":"Liu"},{"full_name":"Wang, Hongqiang","first_name":"Hongqiang","last_name":"Wang"}],"publication_status":"epub_ahead","publisher":"Elsevier","department":[{"_id":"MaIb"}],"year":"2023","acknowledgement":"Scientific Research Program Funded by Shaanxi Provincial Education Department (Program No.22JY012), Natural Science Basic Research Program of Shaanxi (Grant No.2022JZ-31), Young Talent fund of University Association for Science and Technology in Shaanxi, China (Grant No.20210411), China Postdoctoral Science Foundation (Grant No. 2021M692621), the Foundation of Shaanxi University of Science & Technology (Grant No. 2017GBJ-03), Open Foundation of Key Laboratory of Auxiliary Chemistry and Technology for Chemical Industry, Ministry of Education, Shaanxi University of Science and Technology (Grant No. KFKT2022-15), and Open Foundation of Shaanxi Collaborative Innovation Center of Industrial Auxiliary Chemistry and Technology, Shaanxi University of Science and Technology (Grant No. KFKT2022-15).","article_number":"156101"},{"date_published":"2023-01-09T00:00:00Z","citation":{"ista":"Lepre E, Rat S, Cavedon C, Seeberger PH, Pieber B, Antonietti M, López‐Salas N. 2023. Catalytic properties of high nitrogen content carbonaceous materials. Angewandte Chemie International Edition. 62(2), e202211663.","apa":"Lepre, E., Rat, S., Cavedon, C., Seeberger, P. H., Pieber, B., Antonietti, M., & López‐Salas, N. (2023). Catalytic properties of high nitrogen content carbonaceous materials. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.202211663","ieee":"E. Lepre et al., “Catalytic properties of high nitrogen content carbonaceous materials,” Angewandte Chemie International Edition, vol. 62, no. 2. Wiley, 2023.","ama":"Lepre E, Rat S, Cavedon C, et al. Catalytic properties of high nitrogen content carbonaceous materials. Angewandte Chemie International Edition. 2023;62(2). doi:10.1002/anie.202211663","chicago":"Lepre, Enrico, Sylvain Rat, Cristian Cavedon, Peter H. Seeberger, Bartholomäus Pieber, Markus Antonietti, and Nieves López‐Salas. “Catalytic Properties of High Nitrogen Content Carbonaceous Materials.” Angewandte Chemie International Edition. Wiley, 2023. https://doi.org/10.1002/anie.202211663.","mla":"Lepre, Enrico, et al. “Catalytic Properties of High Nitrogen Content Carbonaceous Materials.” Angewandte Chemie International Edition, vol. 62, no. 2, e202211663, Wiley, 2023, doi:10.1002/anie.202211663.","short":"E. Lepre, S. Rat, C. Cavedon, P.H. Seeberger, B. Pieber, M. Antonietti, N. López‐Salas, Angewandte Chemie International Edition 62 (2023)."},"publication":"Angewandte Chemie International Edition","article_type":"original","article_processing_charge":"No","day":"09","scopus_import":"1","keyword":["General Chemistry","Catalysis"],"oa_version":"Published Version","_id":"12922","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","intvolume":" 62","status":"public","title":"Catalytic properties of high nitrogen content carbonaceous materials","issue":"2","abstract":[{"lang":"eng","text":"The influence of structural modifications on the catalytic activity of carbon materials is poorly understood. A collection of carbonaceous materials with different pore networks and high nitrogen content was characterized and used to catalyze four reactions to deduce structure–activity relationships. The CO2 cycloaddition and Knoevenagel reaction depend on Lewis basic sites (electron-rich nitrogen species). The absence of large conjugated carbon domains resulting from the introduction of large amounts of nitrogen in the carbon network is responsible for poor redox activity, as observed through the catalytic reduction of nitrobenzene with hydrazine and the catalytic oxidation of 3,3′,5,5′-tetramethylbenzidine using hydroperoxide. The material with the highest activity towards Lewis acid catalysis (in the hydrolysis of (dimethoxymethyl)benzene to benzaldehyde) is the most effective for small molecule activation and presents the highest concentration of electron-poor nitrogen species."}],"type":"journal_article","doi":"10.1002/anie.202211663","language":[{"iso":"eng"}],"oa":1,"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1002/anie.202211663"}],"quality_controlled":"1","publication_identifier":{"issn":["1433-7851"],"eissn":["1521-3773"]},"month":"01","author":[{"last_name":"Lepre","first_name":"Enrico","full_name":"Lepre, Enrico"},{"first_name":"Sylvain","last_name":"Rat","full_name":"Rat, Sylvain"},{"full_name":"Cavedon, Cristian","first_name":"Cristian","last_name":"Cavedon"},{"full_name":"Seeberger, Peter H.","last_name":"Seeberger","first_name":"Peter H."},{"full_name":"Pieber, Bartholomäus","last_name":"Pieber","first_name":"Bartholomäus","orcid":"0000-0001-8689-388X","id":"93e5e5b2-0da6-11ed-8a41-af589a024726"},{"full_name":"Antonietti, Markus","last_name":"Antonietti","first_name":"Markus"},{"first_name":"Nieves","last_name":"López‐Salas","full_name":"López‐Salas, Nieves"}],"volume":62,"date_updated":"2023-08-21T09:18:12Z","date_created":"2023-05-08T08:28:14Z","year":"2023","publisher":"Wiley","publication_status":"published","extern":"1","article_number":"e202211663"},{"article_type":"original","citation":{"mla":"Hales, Jordyn, et al. “Witnessing Light-Driven Entanglement Using Time-Resolved Resonant Inelastic X-Ray Scattering.” Nature Communications, vol. 14, 3512, Springer Nature, 2023, doi:10.1038/s41467-023-38540-3.","short":"J. Hales, U. Bajpai, T. Liu, D.R. Baykusheva, M. Li, M. Mitrano, Y. Wang, Nature Communications 14 (2023).","chicago":"Hales, Jordyn, Utkarsh Bajpai, Tongtong Liu, Denitsa Rangelova Baykusheva, Mingda Li, Matteo Mitrano, and Yao Wang. “Witnessing Light-Driven Entanglement Using Time-Resolved Resonant Inelastic X-Ray Scattering.” Nature Communications. Springer Nature, 2023. https://doi.org/10.1038/s41467-023-38540-3.","ama":"Hales J, Bajpai U, Liu T, et al. Witnessing light-driven entanglement using time-resolved resonant inelastic X-ray scattering. Nature Communications. 2023;14. doi:10.1038/s41467-023-38540-3","ista":"Hales J, Bajpai U, Liu T, Baykusheva DR, Li M, Mitrano M, Wang Y. 2023. Witnessing light-driven entanglement using time-resolved resonant inelastic X-ray scattering. Nature Communications. 14, 3512.","apa":"Hales, J., Bajpai, U., Liu, T., Baykusheva, D. R., Li, M., Mitrano, M., & Wang, Y. (2023). Witnessing light-driven entanglement using time-resolved resonant inelastic X-ray scattering. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-023-38540-3","ieee":"J. Hales et al., “Witnessing light-driven entanglement using time-resolved resonant inelastic X-ray scattering,” Nature Communications, vol. 14. Springer Nature, 2023."},"publication":"Nature Communications","date_published":"2023-06-14T00:00:00Z","keyword":["General Physics and Astronomy","General Biochemistry","Genetics and Molecular Biology","General Chemistry","Multidisciplinary"],"scopus_import":"1","article_processing_charge":"No","day":"14","intvolume":" 14","title":"Witnessing light-driven entanglement using time-resolved resonant inelastic X-ray scattering","status":"public","_id":"13989","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"Published Version","type":"journal_article","abstract":[{"lang":"eng","text":"Characterizing and controlling entanglement in quantum materials is crucial for the development of next-generation quantum technologies. However, defining a quantifiable figure of merit for entanglement in macroscopic solids is theoretically and experimentally challenging. At equilibrium the presence of entanglement can be diagnosed by extracting entanglement witnesses from spectroscopic observables and a nonequilibrium extension of this method could lead to the discovery of novel dynamical phenomena. Here, we propose a systematic approach to quantify the time-dependent quantum Fisher information and entanglement depth of transient states of quantum materials with time-resolved resonant inelastic x-ray scattering. Using a quarter-filled extended Hubbard model as an example, we benchmark the efficiency of this approach and predict a light-enhanced many-body entanglement due to the proximity to a phase boundary. Our work sets the stage for experimentally witnessing and controlling entanglement in light-driven quantum materials via ultrafast spectroscopic measurements."}],"quality_controlled":"1","external_id":{"arxiv":["2209.02283"],"pmid":["37316515"]},"oa":1,"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1038/s41467-023-38540-3"}],"language":[{"iso":"eng"}],"doi":"10.1038/s41467-023-38540-3","publication_identifier":{"eissn":["2041-1723"]},"month":"06","publisher":"Springer Nature","publication_status":"published","pmid":1,"year":"2023","volume":14,"date_created":"2023-08-09T13:06:59Z","date_updated":"2023-08-22T06:50:04Z","author":[{"full_name":"Hales, Jordyn","first_name":"Jordyn","last_name":"Hales"},{"full_name":"Bajpai, Utkarsh","last_name":"Bajpai","first_name":"Utkarsh"},{"last_name":"Liu","first_name":"Tongtong","full_name":"Liu, Tongtong"},{"last_name":"Baykusheva","first_name":"Denitsa Rangelova","id":"71b4d059-2a03-11ee-914d-dfa3beed6530","full_name":"Baykusheva, Denitsa Rangelova"},{"last_name":"Li","first_name":"Mingda","full_name":"Li, Mingda"},{"last_name":"Mitrano","first_name":"Matteo","full_name":"Mitrano, Matteo"},{"first_name":"Yao","last_name":"Wang","full_name":"Wang, Yao"}],"article_number":"3512","extern":"1"},{"date_published":"2023-06-30T00:00:00Z","publication":"Journal of the American Chemical Society","citation":{"chicago":"Bunting, Rhys, Felix Wodaczek, Tina Torabi, and Bingqing Cheng. “Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane.” Journal of the American Chemical Society. American Chemical Society, 2023. https://doi.org/10.1021/jacs.3c04030.","short":"R. Bunting, F. Wodaczek, T. Torabi, B. Cheng, Journal of the American Chemical Society 145 (2023) 14894–14902.","mla":"Bunting, Rhys, et al. “Reactivity of Single-Atom Alloy Nanoparticles: Modeling the Dehydrogenation of Propane.” Journal of the American Chemical Society, vol. 145, no. 27, American Chemical Society, 2023, pp. 14894–902, doi:10.1021/jacs.3c04030.","ieee":"R. Bunting, F. Wodaczek, T. Torabi, and B. Cheng, “Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane,” Journal of the American Chemical Society, vol. 145, no. 27. American Chemical Society, pp. 14894–14902, 2023.","apa":"Bunting, R., Wodaczek, F., Torabi, T., & Cheng, B. (2023). Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.3c04030","ista":"Bunting R, Wodaczek F, Torabi T, Cheng B. 2023. Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. 145(27), 14894–14902.","ama":"Bunting R, Wodaczek F, Torabi T, Cheng B. Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. 2023;145(27):14894-14902. doi:10.1021/jacs.3c04030"},"article_type":"original","page":"14894-14902","day":"30","article_processing_charge":"Yes (via OA deal)","has_accepted_license":"1","keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"file":[{"file_name":"2023_JACS_Bunting.pdf","access_level":"open_access","content_type":"application/pdf","file_size":3155843,"creator":"cchlebak","relation":"main_file","file_id":"13219","date_updated":"2023-07-12T10:22:04Z","date_created":"2023-07-12T10:22:04Z","checksum":"e07d5323f9c0e5cbd1ad6453f29440ab","success":1}],"oa_version":"Published Version","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","_id":"13216","status":"public","ddc":["540"],"title":"Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane","intvolume":" 145","abstract":[{"lang":"eng","text":"Physical catalysts often have multiple sites where reactions can take place. One prominent example is single-atom alloys, where the reactive dopant atoms can preferentially locate in the bulk or at different sites on the surface of the nanoparticle. However, ab initio modeling of catalysts usually only considers one site of the catalyst, neglecting the effects of multiple sites. Here, nanoparticles of copper doped with single-atom rhodium or palladium are modeled for the dehydrogenation of propane. Single-atom alloy nanoparticles are simulated at 400–600 K, using machine learning potentials trained on density functional theory calculations, and then the occupation of different single-atom active sites is identified using a similarity kernel. Further, the turnover frequency for all possible sites is calculated for propane dehydrogenation to propene through microkinetic modeling using density functional theory calculations. The total turnover frequencies of the whole nanoparticle are then described from both the population and the individual turnover frequency of each site. Under operating conditions, rhodium as a dopant is found to almost exclusively occupy (111) surface sites while palladium as a dopant occupies a greater variety of facets. Undercoordinated dopant surface sites are found to tend to be more reactive for propane dehydrogenation compared to the (111) surface. It is found that considering the dynamics of the single-atom alloy nanoparticle has a profound effect on the calculated catalytic activity of single-atom alloys by several orders of magnitude."}],"issue":"27","type":"journal_article","doi":"10.1021/jacs.3c04030","language":[{"iso":"eng"}],"tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","image":"/images/cc_by.png"},"oa":1,"external_id":{"pmid":["37390457"],"isi":["001020623900001"]},"quality_controlled":"1","isi":1,"month":"06","publication_identifier":{"issn":["0002-7863"],"eissn":["1520-5126"]},"author":[{"full_name":"Bunting, Rhys","orcid":"0000-0001-6928-074X","id":"91deeae8-1207-11ec-b130-c194ad5b50c6","last_name":"Bunting","first_name":"Rhys"},{"first_name":"Felix","last_name":"Wodaczek","id":"8b4b6a9f-32b0-11ee-9fa8-bbe85e26258e","orcid":"0009-0000-1457-795X","full_name":"Wodaczek, Felix"},{"last_name":"Torabi","first_name":"Tina","full_name":"Torabi, Tina"},{"full_name":"Cheng, Bingqing","id":"cbe3cda4-d82c-11eb-8dc7-8ff94289fcc9","orcid":"0000-0002-3584-9632","first_name":"Bingqing","last_name":"Cheng"}],"date_created":"2023-07-12T09:16:40Z","date_updated":"2023-10-11T08:45:10Z","volume":145,"acknowledgement":"B.C. acknowledges resources provided by the Cambridge Tier2 system operated by the University of Cambridge Research\r\nComputing Service funded by EPSRC Tier-2 capital grant EP/\r\nP020259/1.","year":"2023","pmid":1,"publication_status":"published","publisher":"American Chemical Society","department":[{"_id":"MaIb"},{"_id":"BiCh"}],"file_date_updated":"2023-07-12T10:22:04Z","license":"https://creativecommons.org/licenses/by/4.0/"},{"_id":"14861","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","intvolume":" 62","status":"public","title":"Cover Picture: The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle‐Spinning NMR spectroscopy of aromatic residues","oa_version":"Published Version","type":"other_academic_publication","issue":"19","abstract":[{"lang":"eng","text":"Cover Page"}],"citation":{"chicago":"Becker, Lea Marie, Mélanie Berbon, Alicia Vallet, Axelle Grelard, Estelle Morvan, Benjamin Bardiaux, Roman Lichtenecker, Matthias Ernst, Antoine Loquet, and Paul Schanda. Cover Picture: The Rigid Core and Flexible Surface of Amyloid Fibrils Probed by Magic‐Angle‐Spinning NMR Spectroscopy of Aromatic Residues. Angewandte Chemie International Edition. Vol. 62. Wiley, 2023. https://doi.org/10.1002/anie.202304138.","mla":"Becker, Lea Marie, et al. “Cover Picture: The Rigid Core and Flexible Surface of Amyloid Fibrils Probed by Magic‐Angle‐Spinning NMR Spectroscopy of Aromatic Residues.” Angewandte Chemie International Edition, vol. 62, no. 19, e202304138, Wiley, 2023, doi:10.1002/anie.202304138.","short":"L.M. Becker, M. Berbon, A. Vallet, A. Grelard, E. Morvan, B. Bardiaux, R. Lichtenecker, M. Ernst, A. Loquet, P. Schanda, Cover Picture: The Rigid Core and Flexible Surface of Amyloid Fibrils Probed by Magic‐Angle‐Spinning NMR Spectroscopy of Aromatic Residues, Wiley, 2023.","ista":"Becker LM, Berbon M, Vallet A, Grelard A, Morvan E, Bardiaux B, Lichtenecker R, Ernst M, Loquet A, Schanda P. 2023. Cover Picture: The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle‐Spinning NMR spectroscopy of aromatic residues, Wiley,p.","apa":"Becker, L. M., Berbon, M., Vallet, A., Grelard, A., Morvan, E., Bardiaux, B., … Schanda, P. (2023). Cover Picture: The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle‐Spinning NMR spectroscopy of aromatic residues. Angewandte Chemie International Edition (Vol. 62). Wiley. https://doi.org/10.1002/anie.202304138","ieee":"L. M. Becker et al., Cover Picture: The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle‐Spinning NMR spectroscopy of aromatic residues, vol. 62, no. 19. Wiley, 2023.","ama":"Becker LM, Berbon M, Vallet A, et al. Cover Picture: The Rigid Core and Flexible Surface of Amyloid Fibrils Probed by Magic‐Angle‐Spinning NMR Spectroscopy of Aromatic Residues. Vol 62. Wiley; 2023. doi:10.1002/anie.202304138"},"publication":"Angewandte Chemie International Edition","date_published":"2023-05-02T00:00:00Z","keyword":["General Chemistry","Catalysis"],"article_processing_charge":"No","day":"02","year":"2023","department":[{"_id":"PaSc"}],"publisher":"Wiley","publication_status":"published","related_material":{"record":[{"id":"12675","relation":"other","status":"public"}],"link":[{"relation":"translation","url":"https://doi.org/10.1002/ange.202304138"}]},"author":[{"first_name":"Lea Marie","last_name":"Becker","id":"36336939-eb97-11eb-a6c2-c83f1214ca79","orcid":"0000-0002-6401-5151","full_name":"Becker, Lea Marie"},{"full_name":"Berbon, Mélanie","last_name":"Berbon","first_name":"Mélanie"},{"last_name":"Vallet","first_name":"Alicia","full_name":"Vallet, Alicia"},{"first_name":"Axelle","last_name":"Grelard","full_name":"Grelard, Axelle"},{"full_name":"Morvan, Estelle","first_name":"Estelle","last_name":"Morvan"},{"first_name":"Benjamin","last_name":"Bardiaux","full_name":"Bardiaux, Benjamin"},{"last_name":"Lichtenecker","first_name":"Roman","full_name":"Lichtenecker, Roman"},{"full_name":"Ernst, Matthias","last_name":"Ernst","first_name":"Matthias"},{"full_name":"Loquet, Antoine","first_name":"Antoine","last_name":"Loquet"},{"full_name":"Schanda, Paul","orcid":"0000-0002-9350-7606","id":"7B541462-FAF6-11E9-A490-E8DFE5697425","last_name":"Schanda","first_name":"Paul"}],"volume":62,"date_created":"2024-01-22T11:54:34Z","date_updated":"2024-01-23T08:48:14Z","article_number":" e202304138","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1002/anie.202304138"}],"oa":1,"doi":"10.1002/anie.202304138","language":[{"iso":"eng"}],"publication_identifier":{"eissn":["1521-3773"],"issn":["1433-7851"]},"month":"05"},{"doi":"10.1002/anie.202316476","date_published":"2023-12-14T00:00:00Z","language":[{"iso":"eng"}],"publication":"Angewandte Chemie International Edition","oa":1,"citation":{"short":"R.B. Jethwa, S. Mondal, B. Pant, S.A. Freunberger, Angewandte Chemie International Edition (2023).","mla":"Jethwa, Rajesh B., et al. “To DISP or Not? The Far‐reaching Reaction Mechanisms Underpinning Lithium‐air Batteries.” Angewandte Chemie International Edition, e202316476, Wiley, 2023, doi:10.1002/anie.202316476.","chicago":"Jethwa, Rajesh B, Soumyadip Mondal, Bhargavi Pant, and Stefan Alexander Freunberger. “To DISP or Not? The Far‐reaching Reaction Mechanisms Underpinning Lithium‐air Batteries.” Angewandte Chemie International Edition. Wiley, 2023. https://doi.org/10.1002/anie.202316476.","ama":"Jethwa RB, Mondal S, Pant B, Freunberger SA. To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries. Angewandte Chemie International Edition. 2023. doi:10.1002/anie.202316476","ieee":"R. B. Jethwa, S. Mondal, B. Pant, and S. A. Freunberger, “To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries,” Angewandte Chemie International Edition. Wiley, 2023.","apa":"Jethwa, R. B., Mondal, S., Pant, B., & Freunberger, S. A. (2023). To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.202316476","ista":"Jethwa RB, Mondal S, Pant B, Freunberger SA. 2023. To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries. Angewandte Chemie International Edition., e202316476."},"main_file_link":[{"url":" https://doi.org/10.1002/anie.202316476","open_access":"1"}],"quality_controlled":"1","article_type":"review","month":"12","day":"14","publication_identifier":{"issn":["1433-7851"],"eissn":["1521-3773"]},"article_processing_charge":"Yes (via OA deal)","scopus_import":"1","keyword":["General Chemistry","Catalysis"],"author":[{"orcid":"0000-0002-0404-4356","id":"4cc538d5-803f-11ed-ab7e-8139573aad8f","last_name":"Jethwa","first_name":"Rajesh B","full_name":"Jethwa, Rajesh B"},{"id":"d25d21ef-dc8d-11ea-abe3-ec4576307f48","first_name":"Soumyadip","last_name":"Mondal","full_name":"Mondal, Soumyadip"},{"full_name":"Pant, Bhargavi","last_name":"Pant","first_name":"Bhargavi","id":"50c64d4d-eb97-11eb-a6c2-d33e5e14f112"},{"full_name":"Freunberger, Stefan Alexander","last_name":"Freunberger","first_name":"Stefan Alexander","orcid":"0000-0003-2902-5319","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425"}],"date_created":"2023-12-15T16:10:13Z","date_updated":"2024-02-15T14:43:05Z","oa_version":"Published Version","user_id":"3E5EF7F0-F248-11E8-B48F-1D18A9856A87","_id":"14687","year":"2023","title":"To DISP or not? The far‐reaching reaction mechanisms underpinning Lithium‐air batteries","publication_status":"epub_ahead","status":"public","department":[{"_id":"StFr"},{"_id":"GradSch"}],"publisher":"Wiley","abstract":[{"text":"The short history of research on Li-O2 batteries has seen a remarkable number of mechanistic U-turns over the years. From the initial use of carbonate electrolytes, that were then found to be entirely unsuitable, to the belief that (su)peroxide was solely responsible for degradation, before the more reactive singlet oxygen was found to form, to the hypothesis that capacity depends on a competing surface/solution mechanism before a practically exclusive solution mechanism was identified. Herein, we argue for an ever-fresh look at the reported data without bias towards supposedly established explanations. We explain how the latest findings on rate and capacity limits, as well as the origin of side reactions, are connected via the disproportionation (DISP) step in the (dis)charge mechanism. Therefrom, directions emerge for the design of electrolytes and mediators on how to suppress side reactions and to enable high rate and high reversible capacity.","lang":"eng"}],"article_number":"e202316476","type":"journal_article"},{"month":"05","publication_identifier":{"eissn":["1521-3773"],"issn":["1433-7851"]},"external_id":{"isi":["000956919900001"],"pmid":["36738230"]},"tmp":{"name":"Creative Commons Attribution-NonCommercial 4.0 International (CC BY-NC 4.0)","legal_code_url":"https://creativecommons.org/licenses/by-nc/4.0/legalcode","image":"/images/cc_by_nc.png","short":"CC BY-NC (4.0)"},"oa":1,"isi":1,"quality_controlled":"1","doi":"10.1002/anie.202219314","language":[{"iso":"eng"}],"article_number":"e202219314","file_date_updated":"2023-08-16T12:33:31Z","license":"https://creativecommons.org/licenses/by-nc/4.0/","acknowledgement":"We thank AlbertA. Smith (Leipzig)for insightful discussions. This work was supported by funding from the European Research Council (StG-2012-311318 to P.S.) and used the platforms of the Grenoble Instruct-ERIC center (ISBG;UMS 3518 CNRS-CEA-UJF-EMBL) within the Grenoble Partnership for Structural Biology(PSB) and facilities and expertiseof the Biophysical and Structural Chemistry platform (BPCS) at IECB,CNRSUAR3033,INSERMUS001 and Bordeaux University.","year":"2023","pmid":1,"publication_status":"published","department":[{"_id":"GradSch"},{"_id":"PaSc"}],"publisher":"Wiley","author":[{"orcid":"0000-0002-6401-5151","id":"36336939-eb97-11eb-a6c2-c83f1214ca79","last_name":"Becker","first_name":"Lea Marie","full_name":"Becker, Lea Marie"},{"full_name":"Berbon, Mélanie","last_name":"Berbon","first_name":"Mélanie"},{"full_name":"Vallet, Alicia","last_name":"Vallet","first_name":"Alicia"},{"full_name":"Grelard, Axelle","first_name":"Axelle","last_name":"Grelard"},{"full_name":"Morvan, Estelle","last_name":"Morvan","first_name":"Estelle"},{"full_name":"Bardiaux, Benjamin","first_name":"Benjamin","last_name":"Bardiaux"},{"last_name":"Lichtenecker","first_name":"Roman","full_name":"Lichtenecker, Roman"},{"first_name":"Matthias","last_name":"Ernst","full_name":"Ernst, Matthias"},{"first_name":"Antoine","last_name":"Loquet","full_name":"Loquet, Antoine"},{"full_name":"Schanda, Paul","orcid":"0000-0002-9350-7606","id":"7B541462-FAF6-11E9-A490-E8DFE5697425","last_name":"Schanda","first_name":"Paul"}],"related_material":{"link":[{"relation":"press_release","description":"News on ISTA website","url":"https://ista.ac.at/en/news/dancing-styles-of-atoms/"}],"record":[{"status":"public","relation":"other","id":"14861"},{"id":"12497","status":"public","relation":"research_data"}]},"date_updated":"2024-02-21T12:14:06Z","date_created":"2023-02-24T10:45:01Z","volume":62,"keyword":["General Chemistry","Catalysis"],"day":"01","article_processing_charge":"Yes (via OA deal)","has_accepted_license":"1","publication":"Angewandte Chemie International Edition","citation":{"short":"L.M. Becker, M. Berbon, A. Vallet, A. Grelard, E. Morvan, B. Bardiaux, R. Lichtenecker, M. Ernst, A. Loquet, P. Schanda, Angewandte Chemie International Edition 62 (2023).","mla":"Becker, Lea Marie, et al. “The Rigid Core and Flexible Surface of Amyloid Fibrils Probed by Magic‐Angle Spinning NMR of Aromatic Residues.” Angewandte Chemie International Edition, vol. 62, no. 19, e202219314, Wiley, 2023, doi:10.1002/anie.202219314.","chicago":"Becker, Lea Marie, Mélanie Berbon, Alicia Vallet, Axelle Grelard, Estelle Morvan, Benjamin Bardiaux, Roman Lichtenecker, Matthias Ernst, Antoine Loquet, and Paul Schanda. “The Rigid Core and Flexible Surface of Amyloid Fibrils Probed by Magic‐Angle Spinning NMR of Aromatic Residues.” Angewandte Chemie International Edition. Wiley, 2023. https://doi.org/10.1002/anie.202219314.","ama":"Becker LM, Berbon M, Vallet A, et al. The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle Spinning NMR of aromatic residues. Angewandte Chemie International Edition. 2023;62(19). doi:10.1002/anie.202219314","apa":"Becker, L. M., Berbon, M., Vallet, A., Grelard, A., Morvan, E., Bardiaux, B., … Schanda, P. (2023). The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle Spinning NMR of aromatic residues. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.202219314","ieee":"L. M. Becker et al., “The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle Spinning NMR of aromatic residues,” Angewandte Chemie International Edition, vol. 62, no. 19. Wiley, 2023.","ista":"Becker LM, Berbon M, Vallet A, Grelard A, Morvan E, Bardiaux B, Lichtenecker R, Ernst M, Loquet A, Schanda P. 2023. The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle Spinning NMR of aromatic residues. Angewandte Chemie International Edition. 62(19), e202219314."},"article_type":"original","date_published":"2023-05-01T00:00:00Z","type":"journal_article","abstract":[{"text":"Aromatic side chains are important reporters of the plasticity of proteins, and often form important contacts in protein--protein interactions. By studying a pair of structurally homologous cross-β amyloid fibrils, HET-s and HELLF, with a specific isotope-labeling approach and magic-angle-spinning (MAS) NMR, we have characterized the dynamic behavior of Phe and Tyr aromatic rings to show that the hydrophobic amyloid core is rigid, without any sign of \"breathing motions\" over hundreds of milliseconds at least. Aromatic residues exposed at the fibril surface have a rigid ring axis but undergo ring flips, on a variety of time scales from ns to µs. Our approach provides direct insight into hydrophobic-core motions, enabling a better evaluation of the conformational heterogeneity generated from a NMR structural ensemble of such amyloid cross-β architecture.","lang":"eng"}],"issue":"19","_id":"12675","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","ddc":["540"],"status":"public","title":"The rigid core and flexible surface of amyloid fibrils probed by Magic‐Angle Spinning NMR of aromatic residues","intvolume":" 62","oa_version":"Published Version","file":[{"relation":"main_file","file_id":"14072","date_updated":"2023-08-16T12:33:31Z","date_created":"2023-08-16T12:33:31Z","checksum":"7dd083ed8850faa55c34e411ed390de9","success":1,"file_name":"2023_AngewChemInt_Becker.pdf","access_level":"open_access","file_size":1422445,"content_type":"application/pdf","creator":"dernst"}]},{"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1002/anie.202211433"}],"oa":1,"quality_controlled":"1","doi":"10.1002/anie.202211433","language":[{"iso":"eng"}],"month":"11","publication_identifier":{"issn":["1433-7851"],"eissn":["1521-3773"]},"year":"2022","publication_status":"published","publisher":"Wiley","author":[{"full_name":"Cavedon, Cristian","last_name":"Cavedon","first_name":"Cristian"},{"full_name":"Gisbertz, Sebastian","last_name":"Gisbertz","first_name":"Sebastian"},{"full_name":"Reischauer, Susanne","last_name":"Reischauer","first_name":"Susanne"},{"last_name":"Vogl","first_name":"Sarah","full_name":"Vogl, Sarah"},{"first_name":"Eric","last_name":"Sperlich","full_name":"Sperlich, Eric"},{"full_name":"Burke, John H.","last_name":"Burke","first_name":"John H."},{"first_name":"Rachel F.","last_name":"Wallick","full_name":"Wallick, Rachel F."},{"full_name":"Schrottke, Stefanie","first_name":"Stefanie","last_name":"Schrottke"},{"full_name":"Hsu, Wei‐Hsin","first_name":"Wei‐Hsin","last_name":"Hsu"},{"full_name":"Anghileri, Lucia","first_name":"Lucia","last_name":"Anghileri"},{"first_name":"Yannik","last_name":"Pfeifer","full_name":"Pfeifer, Yannik"},{"last_name":"Richter","first_name":"Noah","full_name":"Richter, Noah"},{"first_name":"Christian","last_name":"Teutloff","full_name":"Teutloff, Christian"},{"full_name":"Müller‐Werkmeister, Henrike","first_name":"Henrike","last_name":"Müller‐Werkmeister"},{"first_name":"Dario","last_name":"Cambié","full_name":"Cambié, Dario"},{"full_name":"Seeberger, Peter H.","first_name":"Peter H.","last_name":"Seeberger"},{"full_name":"Vura‐Weis, Josh","first_name":"Josh","last_name":"Vura‐Weis"},{"last_name":"van der Veen","first_name":"Renske M.","full_name":"van der Veen, Renske M."},{"first_name":"Arne","last_name":"Thomas","full_name":"Thomas, Arne"},{"last_name":"Pieber","first_name":"Bartholomäus","orcid":"0000-0001-8689-388X","id":"93e5e5b2-0da6-11ed-8a41-af589a024726","full_name":"Pieber, Bartholomäus"}],"date_created":"2023-05-08T08:30:11Z","date_updated":"2023-05-15T08:27:25Z","volume":61,"article_number":"e202211433","extern":"1","publication":"Angewandte Chemie International Edition","citation":{"ista":"Cavedon C, Gisbertz S, Reischauer S, Vogl S, Sperlich E, Burke JH, Wallick RF, Schrottke S, Hsu W, Anghileri L, Pfeifer Y, Richter N, Teutloff C, Müller‐Werkmeister H, Cambié D, Seeberger PH, Vura‐Weis J, van der Veen RM, Thomas A, Pieber B. 2022. Intraligand charge transfer enables visible‐light‐mediated Nickel‐catalyzed cross-coupling reactions. Angewandte Chemie International Edition. 61(46), e202211433.","apa":"Cavedon, C., Gisbertz, S., Reischauer, S., Vogl, S., Sperlich, E., Burke, J. H., … Pieber, B. (2022). Intraligand charge transfer enables visible‐light‐mediated Nickel‐catalyzed cross-coupling reactions. Angewandte Chemie International Edition. Wiley. https://doi.org/10.1002/anie.202211433","ieee":"C. Cavedon et al., “Intraligand charge transfer enables visible‐light‐mediated Nickel‐catalyzed cross-coupling reactions,” Angewandte Chemie International Edition, vol. 61, no. 46. Wiley, 2022.","ama":"Cavedon C, Gisbertz S, Reischauer S, et al. Intraligand charge transfer enables visible‐light‐mediated Nickel‐catalyzed cross-coupling reactions. Angewandte Chemie International Edition. 2022;61(46). doi:10.1002/anie.202211433","chicago":"Cavedon, Cristian, Sebastian Gisbertz, Susanne Reischauer, Sarah Vogl, Eric Sperlich, John H. Burke, Rachel F. Wallick, et al. “Intraligand Charge Transfer Enables Visible‐light‐mediated Nickel‐catalyzed Cross-Coupling Reactions.” Angewandte Chemie International Edition. Wiley, 2022. https://doi.org/10.1002/anie.202211433.","mla":"Cavedon, Cristian, et al. “Intraligand Charge Transfer Enables Visible‐light‐mediated Nickel‐catalyzed Cross-Coupling Reactions.” Angewandte Chemie International Edition, vol. 61, no. 46, e202211433, Wiley, 2022, doi:10.1002/anie.202211433.","short":"C. Cavedon, S. Gisbertz, S. Reischauer, S. Vogl, E. Sperlich, J.H. Burke, R.F. Wallick, S. Schrottke, W. Hsu, L. Anghileri, Y. Pfeifer, N. Richter, C. Teutloff, H. Müller‐Werkmeister, D. Cambié, P.H. Seeberger, J. Vura‐Weis, R.M. van der Veen, A. Thomas, B. Pieber, Angewandte Chemie International Edition 61 (2022)."},"article_type":"original","date_published":"2022-11-14T00:00:00Z","scopus_import":"1","keyword":["General Chemistry","Catalysis"],"day":"14","article_processing_charge":"No","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","_id":"12924","status":"public","title":"Intraligand charge transfer enables visible‐light‐mediated Nickel‐catalyzed cross-coupling reactions","intvolume":" 61","oa_version":"Published Version","type":"journal_article","abstract":[{"lang":"eng","text":"We demonstrate that several visible-light-mediated carbon−heteroatom cross-coupling reactions can be carried out using a photoactive NiII precatalyst that forms in situ from a nickel salt and a bipyridine ligand decorated with two carbazole groups (Ni(Czbpy)Cl2). The activation of this precatalyst towards cross-coupling reactions follows a hitherto undisclosed mechanism that is different from previously reported light-responsive nickel complexes that undergo metal-to-ligand charge transfer. Theoretical and spectroscopic investigations revealed that irradiation of Ni(Czbpy)Cl2 with visible light causes an initial intraligand charge transfer event that triggers productive catalysis. Ligand polymerization affords a porous, recyclable organic polymer for heterogeneous nickel catalysis of cross-coupling reactions. The heterogeneous catalyst shows stable performance in a packed-bed flow reactor during a week of continuous operation."}],"issue":"46"},{"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","_id":"12923","intvolume":" 12","title":"Modulating the surface and photophysical properties of carbon dots to access colloidal photocatalysts for cross-couplings","status":"public","oa_version":"Published Version","type":"journal_article","issue":"22","abstract":[{"text":"Photoredox-mediated Ni-catalyzed cross-couplings are powerful transformations to form carbon–heteroatom bonds and are generally photocatalyzed by noble metal complexes. Low-cost and easy-to-prepare carbon dots (CDs) are attractive quasi-homogeneous photocatalyst alternatives, but their applicability is limited by their short photoluminescence (PL) lifetimes. By tuning the surface and PL properties of CDs, we designed colloidal CD nano-photocatalysts for a broad range of Ni-mediated cross-couplings between aryl halides and nucleophiles. In particular, a CD decorated with amino groups permitted coupling to a wide range of aryl halides and thiols under mild, base-free conditions. Mechanistic studies suggested dynamic quenching of the CD excited state by the Ni co-catalyst and identified that pyridinium iodide (pyHI), a previously used additive in metallaphotocatalyzed cross-couplings, can also act as a photocatalyst in such transformations.","lang":"eng"}],"citation":{"short":"Z. Zhao, B. Pieber, M. Delbianco, ACS Catalysis 12 (2022) 13831–13837.","mla":"Zhao, Zhouxiang, et al. “Modulating the Surface and Photophysical Properties of Carbon Dots to Access Colloidal Photocatalysts for Cross-Couplings.” ACS Catalysis, vol. 12, no. 22, American Chemical Society, 2022, pp. 13831–37, doi:10.1021/acscatal.2c04025.","chicago":"Zhao, Zhouxiang, Bartholomäus Pieber, and Martina Delbianco. “Modulating the Surface and Photophysical Properties of Carbon Dots to Access Colloidal Photocatalysts for Cross-Couplings.” ACS Catalysis. American Chemical Society, 2022. https://doi.org/10.1021/acscatal.2c04025.","ama":"Zhao Z, Pieber B, Delbianco M. Modulating the surface and photophysical properties of carbon dots to access colloidal photocatalysts for cross-couplings. ACS Catalysis. 2022;12(22):13831-13837. doi:10.1021/acscatal.2c04025","ieee":"Z. Zhao, B. Pieber, and M. Delbianco, “Modulating the surface and photophysical properties of carbon dots to access colloidal photocatalysts for cross-couplings,” ACS Catalysis, vol. 12, no. 22. American Chemical Society, pp. 13831–13837, 2022.","apa":"Zhao, Z., Pieber, B., & Delbianco, M. (2022). Modulating the surface and photophysical properties of carbon dots to access colloidal photocatalysts for cross-couplings. ACS Catalysis. American Chemical Society. https://doi.org/10.1021/acscatal.2c04025","ista":"Zhao Z, Pieber B, Delbianco M. 2022. Modulating the surface and photophysical properties of carbon dots to access colloidal photocatalysts for cross-couplings. ACS Catalysis. 12(22), 13831–13837."},"publication":"ACS Catalysis","page":"13831-13837","article_type":"original","date_published":"2022-10-27T00:00:00Z","scopus_import":"1","keyword":["Catalysis","General Chemistry"],"article_processing_charge":"No","day":"27","year":"2022","publisher":"American Chemical Society","publication_status":"published","author":[{"last_name":"Zhao","first_name":"Zhouxiang","full_name":"Zhao, Zhouxiang"},{"full_name":"Pieber, Bartholomäus","first_name":"Bartholomäus","last_name":"Pieber","id":"93e5e5b2-0da6-11ed-8a41-af589a024726","orcid":"0000-0001-8689-388X"},{"full_name":"Delbianco, Martina","first_name":"Martina","last_name":"Delbianco"}],"volume":12,"date_updated":"2023-05-15T08:30:13Z","date_created":"2023-05-08T08:28:54Z","extern":"1","oa":1,"main_file_link":[{"url":"https://doi.org/10.1021/acscatal.2c04025","open_access":"1"}],"quality_controlled":"1","doi":"10.1021/acscatal.2c04025","language":[{"iso":"eng"}],"publication_identifier":{"eissn":["2155-5435"]},"month":"10"},{"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","type":"journal_article","oa_version":"Published Version","title":"Altering the properties of spiropyran switches using coordination cages with different symmetries","status":"public","intvolume":" 144","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","_id":"13348","day":"15","article_processing_charge":"No","keyword":["Colloid and Surface Chemistry","Biochemistry","General Chemistry","Catalysis"],"scopus_import":"1","date_published":"2022-11-15T00:00:00Z","article_type":"original","page":"21244-21254","publication":"Journal of the American Chemical Society","citation":{"ieee":"J. Wang et al., “Altering the properties of spiropyran switches using coordination cages with different symmetries,” Journal of the American Chemical Society, vol. 144, no. 46. American Chemical Society, pp. 21244–21254, 2022.","apa":"Wang, J., Avram, L., Diskin-Posner, Y., Białek, M. J., Stawski, W., Feller, M., & Klajn, R. (2022). Altering the properties of spiropyran switches using coordination cages with different symmetries. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.2c08901","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.","ama":"Wang J, Avram L, Diskin-Posner Y, et al. Altering the properties of spiropyran switches using coordination cages with different symmetries. Journal of the American Chemical Society. 2022;144(46):21244-21254. doi:10.1021/jacs.2c08901","chicago":"Wang, Jinhua, Liat Avram, Yael Diskin-Posner, Michał J. Białek, Wojciech Stawski, Moran Feller, and Rafal Klajn. “Altering the Properties of Spiropyran Switches Using Coordination Cages with Different Symmetries.” Journal of the American Chemical Society. American Chemical Society, 2022. https://doi.org/10.1021/jacs.2c08901.","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.","mla":"Wang, Jinhua, et al. “Altering the Properties of Spiropyran Switches Using Coordination Cages with Different Symmetries.” Journal of the American Chemical Society, vol. 144, no. 46, American Chemical Society, 2022, pp. 21244–54, doi:10.1021/jacs.2c08901."},"extern":"1","date_updated":"2023-08-02T06:39:50Z","date_created":"2023-08-01T09:31:01Z","volume":144,"author":[{"first_name":"Jinhua","last_name":"Wang","full_name":"Wang, Jinhua"},{"full_name":"Avram, Liat","last_name":"Avram","first_name":"Liat"},{"last_name":"Diskin-Posner","first_name":"Yael","full_name":"Diskin-Posner, Yael"},{"full_name":"Białek, Michał J.","first_name":"Michał J.","last_name":"Białek"},{"full_name":"Stawski, Wojciech","last_name":"Stawski","first_name":"Wojciech"},{"last_name":"Feller","first_name":"Moran","full_name":"Feller, Moran"},{"last_name":"Klajn","first_name":"Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","full_name":"Klajn, Rafal"}],"publication_status":"published","publisher":"American Chemical Society","year":"2022","month":"11","publication_identifier":{"eissn":["1520-5126"],"issn":["0002-7863"]},"language":[{"iso":"eng"}],"doi":"10.1021/jacs.2c08901","quality_controlled":"1","oa":1,"main_file_link":[{"url":"https://doi.org/10.1021/jacs.2c08901","open_access":"1"}]},{"abstract":[{"lang":"eng","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 PdII6L4 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 PdII6L4 cage disassembles to afford PdII2L2 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."}],"type":"journal_article","oa_version":"Published Version","_id":"13347","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","intvolume":" 5","status":"public","title":"Encapsulation within a coordination cage modulates the reactivity of redox-active dyes","article_processing_charge":"No","day":"30","scopus_import":"1","keyword":["Materials Chemistry","Biochemistry","Environmental Chemistry","General Chemistry"],"date_published":"2022-03-30T00:00:00Z","citation":{"ama":"Yanshyna O, Białek MJ, Chashchikhin OV, Klajn R. Encapsulation within a coordination cage modulates the reactivity of redox-active dyes. Communications Chemistry. 2022;5. doi:10.1038/s42004-022-00658-8","apa":"Yanshyna, O., Białek, M. J., Chashchikhin, O. V., & Klajn, R. (2022). Encapsulation within a coordination cage modulates the reactivity of redox-active dyes. Communications Chemistry. Springer Nature. https://doi.org/10.1038/s42004-022-00658-8","ieee":"O. Yanshyna, M. J. Białek, O. V. Chashchikhin, and R. Klajn, “Encapsulation within a coordination cage modulates the reactivity of redox-active dyes,” Communications Chemistry, vol. 5. Springer Nature, 2022.","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.","short":"O. Yanshyna, M.J. Białek, O.V. Chashchikhin, R. Klajn, Communications Chemistry 5 (2022).","mla":"Yanshyna, Oksana, et al. “Encapsulation within a Coordination Cage Modulates the Reactivity of Redox-Active Dyes.” Communications Chemistry, vol. 5, 44, Springer Nature, 2022, doi:10.1038/s42004-022-00658-8.","chicago":"Yanshyna, Oksana, Michał J. Białek, Oleg V. Chashchikhin, and Rafal Klajn. “Encapsulation within a Coordination Cage Modulates the Reactivity of Redox-Active Dyes.” Communications Chemistry. Springer Nature, 2022. https://doi.org/10.1038/s42004-022-00658-8."},"publication":"Communications Chemistry","article_type":"original","extern":"1","article_number":"44","author":[{"full_name":"Yanshyna, Oksana","last_name":"Yanshyna","first_name":"Oksana"},{"last_name":"Białek","first_name":"Michał J.","full_name":"Białek, Michał J."},{"full_name":"Chashchikhin, Oleg V.","last_name":"Chashchikhin","first_name":"Oleg V."},{"full_name":"Klajn, Rafal","first_name":"Rafal","last_name":"Klajn","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b"}],"volume":5,"date_created":"2023-08-01T09:30:47Z","date_updated":"2023-08-02T06:41:54Z","year":"2022","publisher":"Springer Nature","publication_status":"published","publication_identifier":{"eissn":["2399-3669"]},"month":"03","doi":"10.1038/s42004-022-00658-8","language":[{"iso":"eng"}],"main_file_link":[{"url":"https://doi.org/10.1038/s42004-022-00658-8","open_access":"1"}],"oa":1,"quality_controlled":"1"},{"page":"1183-1186","article_type":"original","citation":{"ista":"Gemen J, Klajn R. 2022. Electron catalysis expands the supramolecular chemist’s toolbox. Chem. 8(5), 1183–1186.","apa":"Gemen, J., & Klajn, R. (2022). Electron catalysis expands the supramolecular chemist’s toolbox. Chem. Elsevier. https://doi.org/10.1016/j.chempr.2022.04.022","ieee":"J. Gemen and R. Klajn, “Electron catalysis expands the supramolecular chemist’s toolbox,” Chem, vol. 8, no. 5. Elsevier, pp. 1183–1186, 2022.","ama":"Gemen J, Klajn R. Electron catalysis expands the supramolecular chemist’s toolbox. Chem. 2022;8(5):1183-1186. doi:10.1016/j.chempr.2022.04.022","chicago":"Gemen, Julius, and Rafal Klajn. “Electron Catalysis Expands the Supramolecular Chemist’s Toolbox.” Chem. Elsevier, 2022. https://doi.org/10.1016/j.chempr.2022.04.022.","mla":"Gemen, Julius, and Rafal Klajn. “Electron Catalysis Expands the Supramolecular Chemist’s Toolbox.” Chem, vol. 8, no. 5, Elsevier, 2022, pp. 1183–86, doi:10.1016/j.chempr.2022.04.022.","short":"J. Gemen, R. Klajn, Chem 8 (2022) 1183–1186."},"publication":"Chem","date_published":"2022-05-12T00:00:00Z","keyword":["Materials Chemistry","Biochemistry (medical)","General Chemical Engineering","Environmental Chemistry","Biochemistry","General Chemistry"],"scopus_import":"1","article_processing_charge":"No","day":"12","intvolume":" 8","title":"Electron catalysis expands the supramolecular chemist’s toolbox","status":"public","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","_id":"13351","oa_version":"Published Version","type":"journal_article","issue":"5","abstract":[{"lang":"eng","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."}],"quality_controlled":"1","oa":1,"main_file_link":[{"url":"https://doi.org/10.1016/j.chempr.2022.04.022","open_access":"1"}],"language":[{"iso":"eng"}],"doi":"10.1016/j.chempr.2022.04.022","publication_identifier":{"issn":["2451-9308"],"eissn":["2451-9294"]},"month":"05","publisher":"Elsevier","publication_status":"published","year":"2022","volume":8,"date_created":"2023-08-01T09:32:27Z","date_updated":"2023-08-02T07:24:57Z","author":[{"full_name":"Gemen, Julius","first_name":"Julius","last_name":"Gemen"},{"full_name":"Klajn, Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","first_name":"Rafal","last_name":"Klajn"}],"extern":"1"},{"intvolume":" 8","status":"public","title":"Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence","_id":"13350","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","oa_version":"Published Version","type":"journal_article","issue":"9","abstract":[{"lang":"eng","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."}],"page":"2362-2379","article_type":"original","citation":{"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.","ieee":"J. Gemen et al., “Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence,” Chem, vol. 8, no. 9. Elsevier, pp. 2362–2379, 2022.","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. Chem. Elsevier. https://doi.org/10.1016/j.chempr.2022.05.008","ama":"Gemen J, Białek MJ, Kazes M, et al. Ternary host-guest complexes with rapid exchange kinetics and photoswitchable fluorescence. Chem. 2022;8(9):2362-2379. doi:10.1016/j.chempr.2022.05.008","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.” Chem. Elsevier, 2022. https://doi.org/10.1016/j.chempr.2022.05.008.","mla":"Gemen, Julius, et al. “Ternary Host-Guest Complexes with Rapid Exchange Kinetics and Photoswitchable Fluorescence.” Chem, vol. 8, no. 9, Elsevier, 2022, pp. 2362–79, doi:10.1016/j.chempr.2022.05.008.","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."},"publication":"Chem","date_published":"2022-09-08T00:00:00Z","keyword":["Materials Chemistry","Biochemistry (medical)","General Chemical Engineering","Environmental Chemistry","Biochemistry","General Chemistry"],"scopus_import":"1","article_processing_charge":"No","day":"08","publisher":"Elsevier","publication_status":"published","pmid":1,"year":"2022","volume":8,"date_updated":"2023-08-02T09:39:35Z","date_created":"2023-08-01T09:32:14Z","author":[{"full_name":"Gemen, Julius","first_name":"Julius","last_name":"Gemen"},{"full_name":"Białek, Michał J.","first_name":"Michał J.","last_name":"Białek"},{"last_name":"Kazes","first_name":"Miri","full_name":"Kazes, Miri"},{"first_name":"Linda J.W.","last_name":"Shimon","full_name":"Shimon, Linda J.W."},{"first_name":"Moran","last_name":"Feller","full_name":"Feller, Moran"},{"last_name":"Semenov","first_name":"Sergey N.","full_name":"Semenov, Sergey N."},{"last_name":"Diskin-Posner","first_name":"Yael","full_name":"Diskin-Posner, Yael"},{"full_name":"Oron, Dan","last_name":"Oron","first_name":"Dan"},{"full_name":"Klajn, Rafal","last_name":"Klajn","first_name":"Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b"}],"extern":"1","quality_controlled":"1","external_id":{"pmid":["36133801"]},"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1016/j.chempr.2022.05.008"}],"oa":1,"language":[{"iso":"eng"}],"doi":"10.1016/j.chempr.2022.05.008","publication_identifier":{"issn":["2451-9308"],"eissn":["2451-9294"]},"month":"09"},{"publication":"Chemical Communications","citation":{"ama":"Yanshyna O, Avram L, Shimon LJW, Klajn R. Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine. Chemical Communications. 2022;58(21):3461-3464. doi:10.1039/d1cc07081a","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.","ieee":"O. Yanshyna, L. Avram, L. J. W. Shimon, and R. Klajn, “Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine,” Chemical Communications, vol. 58, no. 21. Royal Society of Chemistry, pp. 3461–3464, 2022.","apa":"Yanshyna, O., Avram, L., Shimon, L. J. W., & Klajn, R. (2022). Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine. Chemical Communications. Royal Society of Chemistry. https://doi.org/10.1039/d1cc07081a","mla":"Yanshyna, Oksana, et al. “Coexistence of 1:1 and 2:1 Inclusion Complexes of Indigo Carmine.” Chemical Communications, vol. 58, no. 21, Royal Society of Chemistry, 2022, pp. 3461–64, doi:10.1039/d1cc07081a.","short":"O. Yanshyna, L. Avram, L.J.W. Shimon, R. Klajn, Chemical Communications 58 (2022) 3461–3464.","chicago":"Yanshyna, Oksana, Liat Avram, Linda J. W. Shimon, and Rafal Klajn. “Coexistence of 1:1 and 2:1 Inclusion Complexes of Indigo Carmine.” Chemical Communications. Royal Society of Chemistry, 2022. https://doi.org/10.1039/d1cc07081a."},"article_type":"original","page":"3461-3464","date_published":"2022-01-22T00:00:00Z","scopus_import":"1","keyword":["Materials Chemistry","Metals and Alloys","Surfaces","Coatings and Films","General Chemistry","Ceramics and Composites","Electronic","Optical and Magnetic Materials","Catalysis"],"day":"22","article_processing_charge":"No","_id":"13353","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","status":"public","title":"Coexistence of 1:1 and 2:1 inclusion complexes of indigo carmine","intvolume":" 58","oa_version":"Published Version","type":"journal_article","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"}],"issue":"21","external_id":{"pmid":["35064258"]},"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1039/D1CC07081A"}],"oa":1,"quality_controlled":"1","doi":"10.1039/d1cc07081a","language":[{"iso":"eng"}],"month":"01","publication_identifier":{"eissn":["1364-548X"],"issn":["1359-7345"]},"year":"2022","pmid":1,"publication_status":"published","publisher":"Royal Society of Chemistry","author":[{"full_name":"Yanshyna, Oksana","last_name":"Yanshyna","first_name":"Oksana"},{"full_name":"Avram, Liat","last_name":"Avram","first_name":"Liat"},{"first_name":"Linda J. W.","last_name":"Shimon","full_name":"Shimon, Linda J. W."},{"full_name":"Klajn, Rafal","id":"8e84690e-1e48-11ed-a02b-a1e6fb8bb53b","first_name":"Rafal","last_name":"Klajn"}],"date_updated":"2023-08-02T09:46:51Z","date_created":"2023-08-01T09:32:55Z","volume":58,"extern":"1"},{"has_accepted_license":"1","article_processing_charge":"No","day":"16","keyword":["General Physics and Astronomy","General Biochemistry","Genetics and Molecular Biology","General Chemistry","Multidisciplinary"],"date_published":"2022-08-16T00:00:00Z","citation":{"mla":"Ben Simon, Yoav, et al. “A Direct Excitatory Projection from Entorhinal Layer 6b Neurons to the Hippocampus Contributes to Spatial Coding and Memory.” Nature Communications, vol. 13, 4826, Springer Nature, 2022, doi:10.1038/s41467-022-32559-8.","short":"Y. Ben Simon, K. Käfer, P. Velicky, J.L. Csicsvari, J.G. Danzl, P.M. Jonas, Nature Communications 13 (2022).","chicago":"Ben Simon, Yoav, Karola Käfer, Philipp Velicky, Jozsef L Csicsvari, Johann G Danzl, and Peter M Jonas. “A Direct Excitatory Projection from Entorhinal Layer 6b Neurons to the Hippocampus Contributes to Spatial Coding and Memory.” Nature Communications. Springer Nature, 2022. https://doi.org/10.1038/s41467-022-32559-8.","ama":"Ben Simon Y, Käfer K, Velicky P, Csicsvari JL, Danzl JG, Jonas PM. A direct excitatory projection from entorhinal layer 6b neurons to the hippocampus contributes to spatial coding and memory. Nature Communications. 2022;13. doi:10.1038/s41467-022-32559-8","ista":"Ben Simon Y, Käfer K, Velicky P, Csicsvari JL, Danzl JG, Jonas PM. 2022. A direct excitatory projection from entorhinal layer 6b neurons to the hippocampus contributes to spatial coding and memory. Nature Communications. 13, 4826.","ieee":"Y. Ben Simon, K. Käfer, P. Velicky, J. L. Csicsvari, J. G. Danzl, and P. M. Jonas, “A direct excitatory projection from entorhinal layer 6b neurons to the hippocampus contributes to spatial coding and memory,” Nature Communications, vol. 13. Springer Nature, 2022.","apa":"Ben Simon, Y., Käfer, K., Velicky, P., Csicsvari, J. L., Danzl, J. G., & Jonas, P. M. (2022). A direct excitatory projection from entorhinal layer 6b neurons to the hippocampus contributes to spatial coding and memory. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-022-32559-8"},"publication":"Nature Communications","article_type":"original","abstract":[{"text":"The mammalian hippocampal formation (HF) plays a key role in several higher brain functions, such as spatial coding, learning and memory. Its simple circuit architecture is often viewed as a trisynaptic loop, processing input originating from the superficial layers of the entorhinal cortex (EC) and sending it back to its deeper layers. Here, we show that excitatory neurons in layer 6b of the mouse EC project to all sub-regions comprising the HF and receive input from the CA1, thalamus and claustrum. Furthermore, their output is characterized by unique slow-decaying excitatory postsynaptic currents capable of driving plateau-like potentials in their postsynaptic targets. Optogenetic inhibition of the EC-6b pathway affects spatial coding in CA1 pyramidal neurons, while cell ablation impairs not only acquisition of new spatial memories, but also degradation of previously acquired ones. Our results provide evidence of a functional role for cortical layer 6b neurons in the adult brain.","lang":"eng"}],"type":"journal_article","file":[{"relation":"main_file","file_id":"11990","checksum":"405936d9e4d33625d80c093c9713a91f","success":1,"date_updated":"2022-08-26T11:51:40Z","date_created":"2022-08-26T11:51:40Z","access_level":"open_access","file_name":"2022_NatureCommunications_BenSimon.pdf","content_type":"application/pdf","file_size":5910357,"creator":"dernst"}],"oa_version":"Published Version","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","_id":"11951","intvolume":" 13","title":"A direct excitatory projection from entorhinal layer 6b neurons to the hippocampus contributes to spatial coding and memory","ddc":["570"],"status":"public","publication_identifier":{"issn":["2041-1723"]},"month":"08","doi":"10.1038/s41467-022-32559-8","language":[{"iso":"eng"}],"acknowledged_ssus":[{"_id":"Bio"},{"_id":"SSU"}],"oa":1,"tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","image":"/images/cc_by.png"},"external_id":{"isi":["000841396400008"]},"project":[{"name":"Biophysics and circuit function of a giant cortical glumatergic synapse","call_identifier":"H2020","grant_number":"692692","_id":"25B7EB9E-B435-11E9-9278-68D0E5697425"},{"grant_number":"I03600","_id":"265CB4D0-B435-11E9-9278-68D0E5697425","name":"Optical control of synaptic function via adhesion molecules","call_identifier":"FWF"},{"call_identifier":"FWF","name":"The Wittgenstein Prize","grant_number":"Z00312","_id":"25C5A090-B435-11E9-9278-68D0E5697425"}],"quality_controlled":"1","isi":1,"ec_funded":1,"file_date_updated":"2022-08-26T11:51:40Z","article_number":"4826","author":[{"id":"43DF3136-F248-11E8-B48F-1D18A9856A87","last_name":"Ben Simon","first_name":"Yoav","full_name":"Ben Simon, Yoav"},{"id":"2DAA49AA-F248-11E8-B48F-1D18A9856A87","last_name":"Käfer","first_name":"Karola","full_name":"Käfer, Karola"},{"last_name":"Velicky","first_name":"Philipp","orcid":"0000-0002-2340-7431","id":"39BDC62C-F248-11E8-B48F-1D18A9856A87","full_name":"Velicky, Philipp"},{"full_name":"Csicsvari, Jozsef L","first_name":"Jozsef L","last_name":"Csicsvari","id":"3FA14672-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-5193-4036"},{"first_name":"Johann G","last_name":"Danzl","id":"42EFD3B6-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-8559-3973","full_name":"Danzl, Johann G"},{"full_name":"Jonas, Peter M","last_name":"Jonas","first_name":"Peter M","orcid":"0000-0001-5001-4804","id":"353C1B58-F248-11E8-B48F-1D18A9856A87"}],"volume":13,"date_updated":"2023-08-03T13:01:19Z","date_created":"2022-08-24T08:25:50Z","acknowledgement":"We thank F. Marr and A. Schlögl for technical assistance, E. Kralli-Beller for manuscript editing, as well as C. Sommer and the Imaging and Optics Facility of the Institute of Science and Technology Austria (ISTA) for image analysis scripts and microscopy support. We extend our gratitude to J. Wallenschus and D. Rangel Guerrero for technical assistance acquiring single-unit data and I. Gridchyn for help with single-unit clustering. Finally, we also thank B. Suter for discussions, A. Saunders, M. Jösch, and H. Monyer for critically reading earlier versions of the manuscript, C. Petersen for sharing clearing protocols, and the Scientific Service Units of ISTA for efficient support. This project was funded by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (ERC advanced grant No 692692 to P.J.) and the Fond zur Förderung der Wissenschaftlichen Forschung (Z 312-B27, Wittgenstein award for P.J. and I3600-B27 for J.G.D. and P.V.).","year":"2022","department":[{"_id":"JoCs"},{"_id":"PeJo"},{"_id":"JoDa"}],"publisher":"Springer Nature","publication_status":"published"},{"isi":1,"quality_controlled":"1","external_id":{"pmid":["36379956"],"isi":["000884426700001"]},"tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","image":"/images/cc_by.png"},"oa":1,"language":[{"iso":"eng"}],"doi":"10.1038/s41467-022-34723-6","month":"11","publication_identifier":{"issn":["2041-1723"]},"publication_status":"published","publisher":"Springer Nature","department":[{"_id":"JiFr"}],"year":"2022","acknowledgement":"We thank A. Cheung,W. Lukowitz, V.Walbot, D.Weijers, and R. Yadegari for critically reading the manuscript; E. Xiong and G. Zhang for preparing some experiments, T. Schuck, J. Gonnering, and P. Engevold for plant care, the Arabidopsis Biological Resource Center (ABRC) for ARF10,ARF16, ARF17, EMS1,MIR160a BAC clones and cDNAs, the SALK_090804 seed, T. Nakagawa for pGBW vectors, Y. Zhao for the YUC1 cDNA, Q. Chen for the pHEE401E vector, R. Yadegari for pAT5G01860::n1GFP, pAT5G45980:n1GFP, pAT5G50490::n1GFP, pAT5G56200:n1GFP vectors, and D.Weijers for the pGreenII KAN SV40-3×GFP and R2D2 vectors, W. Yang for the splmutant, Y. Qin for the pKNU::KNU-VENUS vector and seed, G. Tang for the STTM160/160-48 vector, and L. Colombo for pPIN1::PIN1-GFP spl and pin1-5 seeds. This work was supported by the US National Science Foundation (NSF)-Israel Binational Science Foundation (BSF) research grant to D.Z. (IOS-1322796) and T.A. (2012756). D.Z. also\r\ngratefully acknowledges supports of the Shaw Scientist Award from the Greater Milwaukee Foundation, USDA National Institute of Food and Agriculture (NIFA, 2022-67013-36294), the UWM Discovery and Innovation Grant, the Bradley Catalyst Award from the UWM Research\r\nFoundation, and WiSys and UW System Applied Research Funding Programs.","pmid":1,"date_created":"2023-01-12T12:02:41Z","date_updated":"2023-08-04T08:52:01Z","volume":13,"author":[{"last_name":"Huang","first_name":"Jian","full_name":"Huang, Jian"},{"last_name":"Zhao","first_name":"Lei","full_name":"Zhao, Lei"},{"last_name":"Malik","first_name":"Shikha","full_name":"Malik, Shikha"},{"full_name":"Gentile, Benjamin R.","last_name":"Gentile","first_name":"Benjamin R."},{"full_name":"Xiong, Va","last_name":"Xiong","first_name":"Va"},{"full_name":"Arazi, Tzahi","last_name":"Arazi","first_name":"Tzahi"},{"last_name":"Owen","first_name":"Heather A.","full_name":"Owen, Heather A."},{"id":"4159519E-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0002-8302-7596","first_name":"Jiří","last_name":"Friml","full_name":"Friml, Jiří"},{"full_name":"Zhao, Dazhong","last_name":"Zhao","first_name":"Dazhong"}],"article_number":"6960","file_date_updated":"2023-01-23T11:17:33Z","article_type":"original","publication":"Nature Communications","citation":{"ama":"Huang J, Zhao L, Malik S, et al. Specification of female germline by microRNA orchestrated auxin signaling in Arabidopsis. Nature Communications. 2022;13. doi:10.1038/s41467-022-34723-6","ieee":"J. Huang et al., “Specification of female germline by microRNA orchestrated auxin signaling in Arabidopsis,” Nature Communications, vol. 13. Springer Nature, 2022.","apa":"Huang, J., Zhao, L., Malik, S., Gentile, B. R., Xiong, V., Arazi, T., … Zhao, D. (2022). Specification of female germline by microRNA orchestrated auxin signaling in Arabidopsis. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-022-34723-6","ista":"Huang J, Zhao L, Malik S, Gentile BR, Xiong V, Arazi T, Owen HA, Friml J, Zhao D. 2022. Specification of female germline by microRNA orchestrated auxin signaling in Arabidopsis. Nature Communications. 13, 6960.","short":"J. Huang, L. Zhao, S. Malik, B.R. Gentile, V. Xiong, T. Arazi, H.A. Owen, J. Friml, D. Zhao, Nature Communications 13 (2022).","mla":"Huang, Jian, et al. “Specification of Female Germline by MicroRNA Orchestrated Auxin Signaling in Arabidopsis.” Nature Communications, vol. 13, 6960, Springer Nature, 2022, doi:10.1038/s41467-022-34723-6.","chicago":"Huang, Jian, Lei Zhao, Shikha Malik, Benjamin R. Gentile, Va Xiong, Tzahi Arazi, Heather A. Owen, Jiří Friml, and Dazhong Zhao. “Specification of Female Germline by MicroRNA Orchestrated Auxin Signaling in Arabidopsis.” Nature Communications. Springer Nature, 2022. https://doi.org/10.1038/s41467-022-34723-6."},"date_published":"2022-11-15T00:00:00Z","keyword":["General Physics and Astronomy","General Biochemistry","Genetics and Molecular Biology","General Chemistry","Multidisciplinary"],"scopus_import":"1","day":"15","has_accepted_license":"1","article_processing_charge":"No","ddc":["580"],"status":"public","title":"Specification of female germline by microRNA orchestrated auxin signaling in Arabidopsis","intvolume":" 13","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","_id":"12130","file":[{"date_updated":"2023-01-23T11:17:33Z","date_created":"2023-01-23T11:17:33Z","checksum":"233922a7b9507d9d48591e6799e4526e","success":1,"relation":"main_file","file_id":"12346","file_size":3375249,"content_type":"application/pdf","creator":"dernst","file_name":"2022_NatureCommunications_Huang.pdf","access_level":"open_access"}],"oa_version":"Published Version","type":"journal_article","abstract":[{"lang":"eng","text":"Germline determination is essential for species survival and evolution in multicellular organisms. In most flowering plants, formation of the female germline is initiated with specification of one megaspore mother cell (MMC) in each ovule; however, the molecular mechanism underlying this key event remains unclear. Here we report that spatially restricted auxin signaling promotes MMC fate in Arabidopsis. Our results show that the microRNA160 (miR160) targeted gene ARF17 (AUXIN RESPONSE FACTOR17) is required for promoting MMC specification by genetically interacting with the SPL/NZZ (SPOROCYTELESS/NOZZLE) gene. Alterations of auxin signaling cause formation of supernumerary MMCs in an ARF17- and SPL/NZZ-dependent manner. Furthermore, miR160 and ARF17 are indispensable for attaining a normal auxin maximum at the ovule apex via modulating the expression domain of PIN1 (PIN-FORMED1) auxin transporter. Our findings elucidate the mechanism by which auxin signaling promotes the acquisition of female germline cell fate in plants."}]},{"abstract":[{"text":"The inadequate understanding of the mechanisms that reversibly convert molecular sulfur (S) into lithium sulfide (Li2S) via soluble polysulfides (PSs) formation impedes the development of high-performance lithium-sulfur (Li-S) batteries with non-aqueous electrolyte solutions. Here, we use operando small and wide angle X-ray scattering and operando small angle neutron scattering (SANS) measurements to track the nucleation, growth and dissolution of solid deposits from atomic to sub-micron scales during real-time Li-S cell operation. In particular, stochastic modelling based on the SANS data allows quantifying the nanoscale phase evolution during battery cycling. We show that next to nano-crystalline Li2S the deposit comprises solid short-chain PSs particles. The analysis of the experimental data suggests that initially, Li2S2 precipitates from the solution and then is partially converted via solid-state electroreduction to Li2S. We further demonstrate that mass transport, rather than electron transport through a thin passivating film, limits the discharge capacity and rate performance in Li-S cells.","lang":"eng"}],"type":"journal_article","oa_version":"Published Version","file":[{"file_name":"2022_NatureCommunications_Prehal.pdf","access_level":"open_access","creator":"dernst","file_size":4216931,"content_type":"application/pdf","file_id":"12411","relation":"main_file","date_updated":"2023-01-27T07:19:11Z","date_created":"2023-01-27T07:19:11Z","success":1,"checksum":"5034336dbf0f860030ef745c08df9e0e"}],"_id":"12208","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","intvolume":" 13","status":"public","ddc":["540"],"title":"On the nanoscale structural evolution of solid discharge products in lithium-sulfur batteries using operando scattering","has_accepted_license":"1","article_processing_charge":"No","day":"24","scopus_import":"1","keyword":["General Physics and Astronomy","General Biochemistry","Genetics and Molecular Biology","General Chemistry","Multidisciplinary"],"date_published":"2022-10-24T00:00:00Z","citation":{"ama":"Prehal C, von Mentlen J-M, Drvarič Talian S, et al. On the nanoscale structural evolution of solid discharge products in lithium-sulfur batteries using operando scattering. Nature Communications. 2022;13. doi:10.1038/s41467-022-33931-4","ieee":"C. Prehal et al., “On the nanoscale structural evolution of solid discharge products in lithium-sulfur batteries using operando scattering,” Nature Communications, vol. 13. Springer Nature, 2022.","apa":"Prehal, C., von Mentlen, J.-M., Drvarič Talian, S., Vizintin, A., Dominko, R., Amenitsch, H., … Wood, V. (2022). On the nanoscale structural evolution of solid discharge products in lithium-sulfur batteries using operando scattering. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-022-33931-4","ista":"Prehal C, von Mentlen J-M, Drvarič Talian S, Vizintin A, Dominko R, Amenitsch H, Porcar L, Freunberger SA, Wood V. 2022. On the nanoscale structural evolution of solid discharge products in lithium-sulfur batteries using operando scattering. Nature Communications. 13, 6326.","short":"C. Prehal, J.-M. von Mentlen, S. Drvarič Talian, A. Vizintin, R. Dominko, H. Amenitsch, L. Porcar, S.A. Freunberger, V. Wood, Nature Communications 13 (2022).","mla":"Prehal, Christian, et al. “On the Nanoscale Structural Evolution of Solid Discharge Products in Lithium-Sulfur Batteries Using Operando Scattering.” Nature Communications, vol. 13, 6326, Springer Nature, 2022, doi:10.1038/s41467-022-33931-4.","chicago":"Prehal, Christian, Jean-Marc von Mentlen, Sara Drvarič Talian, Alen Vizintin, Robert Dominko, Heinz Amenitsch, Lionel Porcar, Stefan Alexander Freunberger, and Vanessa Wood. “On the Nanoscale Structural Evolution of Solid Discharge Products in Lithium-Sulfur Batteries Using Operando Scattering.” Nature Communications. Springer Nature, 2022. https://doi.org/10.1038/s41467-022-33931-4."},"publication":"Nature Communications","article_type":"original","file_date_updated":"2023-01-27T07:19:11Z","article_number":"6326","author":[{"last_name":"Prehal","first_name":"Christian","full_name":"Prehal, Christian"},{"full_name":"von Mentlen, Jean-Marc","first_name":"Jean-Marc","last_name":"von Mentlen"},{"full_name":"Drvarič Talian, Sara","last_name":"Drvarič Talian","first_name":"Sara"},{"full_name":"Vizintin, Alen","last_name":"Vizintin","first_name":"Alen"},{"full_name":"Dominko, Robert","last_name":"Dominko","first_name":"Robert"},{"full_name":"Amenitsch, Heinz","last_name":"Amenitsch","first_name":"Heinz"},{"first_name":"Lionel","last_name":"Porcar","full_name":"Porcar, Lionel"},{"last_name":"Freunberger","first_name":"Stefan Alexander","orcid":"0000-0003-2902-5319","id":"A8CA28E6-CE23-11E9-AD2D-EC27E6697425","full_name":"Freunberger, Stefan Alexander"},{"first_name":"Vanessa","last_name":"Wood","full_name":"Wood, Vanessa"}],"volume":13,"date_updated":"2023-08-04T09:15:31Z","date_created":"2023-01-16T09:45:09Z","pmid":1,"acknowledgement":"This project has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Skłodowska-Curie grant NanoEvolution, grant agreement No 894042. The authors acknowledge the CERIC-ERIC Consortium for the access to the Austrian SAXS beamline and TU Graz for support through the Lead Project LP-03.\r\nLikewise, the use of SOMAPP Lab, a core facility supported by the Austrian Federal Ministry of Education, Science and Research, the Graz University of Technology, the University of Graz, and Anton Paar GmbH is acknowledged. In addition, the authors acknowledge access to the D-22SANS beamline at the ILL neutron source. Electron microscopy measurements were performed at the Scientific Scenter for Optical and Electron Microscopy (ScopeM) of the Swiss Federal Institute of Technology. C.P. and J.M.M. thank A. Senol for her support with the SANS\r\nbeamtime preparation. S.D.T, A.V. and R.D. acknowledge the financial support by the Slovenian Research Agency (ARRS) research core funding P2-0393 and P2-0423. Furthermore, A.V. acknowledge the funding from the Slovenian Research Agency, research project Z2−1863.\r\nS.A.F. is indebted to IST Austria for support. ","year":"2022","department":[{"_id":"StFr"}],"publisher":"Springer Nature","publication_status":"published","publication_identifier":{"issn":["2041-1723"]},"month":"10","doi":"10.1038/s41467-022-33931-4","language":[{"iso":"eng"}],"external_id":{"pmid":["36280671"],"isi":["000871563700006"]},"tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","image":"/images/cc_by.png"},"oa":1,"quality_controlled":"1","isi":1},{"has_accepted_license":"1","article_processing_charge":"No","day":"05","keyword":["General Physics and Astronomy","General Biochemistry","Genetics and Molecular Biology","General Chemistry","Multidisciplinary"],"scopus_import":"1","date_published":"2022-09-05T00:00:00Z","article_type":"original","citation":{"mla":"Randriamanantsoa, S., et al. “Spatiotemporal Dynamics of Self-Organized Branching in Pancreas-Derived Organoids.” Nature Communications, vol. 13, 5219, Springer Nature, 2022, doi:10.1038/s41467-022-32806-y.","short":"S. Randriamanantsoa, A. Papargyriou, H.C. Maurer, K. Peschke, M. Schuster, G. Zecchin, K. Steiger, R. Öllinger, D. Saur, C. Scheel, R. Rad, E.B. Hannezo, M. Reichert, A.R. Bausch, Nature Communications 13 (2022).","chicago":"Randriamanantsoa, S., A. Papargyriou, H. C. Maurer, K. Peschke, M. Schuster, G. Zecchin, K. Steiger, et al. “Spatiotemporal Dynamics of Self-Organized Branching in Pancreas-Derived Organoids.” Nature Communications. Springer Nature, 2022. https://doi.org/10.1038/s41467-022-32806-y.","ama":"Randriamanantsoa S, Papargyriou A, Maurer HC, et al. Spatiotemporal dynamics of self-organized branching in pancreas-derived organoids. Nature Communications. 2022;13. doi:10.1038/s41467-022-32806-y","ista":"Randriamanantsoa S, Papargyriou A, Maurer HC, Peschke K, Schuster M, Zecchin G, Steiger K, Öllinger R, Saur D, Scheel C, Rad R, Hannezo EB, Reichert M, Bausch AR. 2022. Spatiotemporal dynamics of self-organized branching in pancreas-derived organoids. Nature Communications. 13, 5219.","ieee":"S. Randriamanantsoa et al., “Spatiotemporal dynamics of self-organized branching in pancreas-derived organoids,” Nature Communications, vol. 13. Springer Nature, 2022.","apa":"Randriamanantsoa, S., Papargyriou, A., Maurer, H. C., Peschke, K., Schuster, M., Zecchin, G., … Bausch, A. R. (2022). Spatiotemporal dynamics of self-organized branching in pancreas-derived organoids. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-022-32806-y"},"publication":"Nature Communications","abstract":[{"text":"The development dynamics and self-organization of glandular branched epithelia is of utmost importance for our understanding of diverse processes ranging from normal tissue growth to the growth of cancerous tissues. Using single primary murine pancreatic ductal adenocarcinoma (PDAC) cells embedded in a collagen matrix and adapted media supplementation, we generate organoids that self-organize into highly branched structures displaying a seamless lumen connecting terminal end buds, replicating in vivo PDAC architecture. We identify distinct morphogenesis phases, each characterized by a unique pattern of cell invasion, matrix deformation, protein expression, and respective molecular dependencies. We propose a minimal theoretical model of a branching and proliferating tissue, capturing the dynamics of the first phases. Observing the interaction of morphogenesis, mechanical environment and gene expression in vitro sets a benchmark for the understanding of self-organization processes governing complex organoid structure formation processes and branching morphogenesis.","lang":"eng"}],"type":"journal_article","oa_version":"Published Version","file":[{"file_name":"2022_NatureCommunications_Randriamanantsoa.pdf","access_level":"open_access","creator":"dernst","file_size":22645149,"content_type":"application/pdf","file_id":"12416","relation":"main_file","date_updated":"2023-01-27T08:14:48Z","date_created":"2023-01-27T08:14:48Z","success":1,"checksum":"295261b5172274fd5b8f85a6a6058828"}],"intvolume":" 13","ddc":["570"],"title":"Spatiotemporal dynamics of self-organized branching in pancreas-derived organoids","status":"public","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","_id":"12217","publication_identifier":{"issn":["2041-1723"]},"month":"09","language":[{"iso":"eng"}],"doi":"10.1038/s41467-022-32806-y","project":[{"_id":"05943252-7A3F-11EA-A408-12923DDC885E","grant_number":"851288","name":"Design Principles of Branching Morphogenesis","call_identifier":"H2020"}],"isi":1,"quality_controlled":"1","external_id":{"isi":["000850348400025"]},"tmp":{"name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","short":"CC BY (4.0)","image":"/images/cc_by.png"},"oa":1,"ec_funded":1,"file_date_updated":"2023-01-27T08:14:48Z","article_number":"5219","volume":13,"date_created":"2023-01-16T09:46:53Z","date_updated":"2023-08-04T09:25:23Z","related_material":{"record":[{"relation":"research_data","status":"public","id":"13068"}]},"author":[{"last_name":"Randriamanantsoa","first_name":"S.","full_name":"Randriamanantsoa, S."},{"full_name":"Papargyriou, A.","last_name":"Papargyriou","first_name":"A."},{"full_name":"Maurer, H. C.","first_name":"H. C.","last_name":"Maurer"},{"last_name":"Peschke","first_name":"K.","full_name":"Peschke, K."},{"first_name":"M.","last_name":"Schuster","full_name":"Schuster, M."},{"full_name":"Zecchin, G.","first_name":"G.","last_name":"Zecchin"},{"first_name":"K.","last_name":"Steiger","full_name":"Steiger, K."},{"full_name":"Öllinger, R.","first_name":"R.","last_name":"Öllinger"},{"first_name":"D.","last_name":"Saur","full_name":"Saur, D."},{"full_name":"Scheel, C.","first_name":"C.","last_name":"Scheel"},{"full_name":"Rad, R.","first_name":"R.","last_name":"Rad"},{"first_name":"Edouard B","last_name":"Hannezo","id":"3A9DB764-F248-11E8-B48F-1D18A9856A87","orcid":"0000-0001-6005-1561","full_name":"Hannezo, Edouard B"},{"first_name":"M.","last_name":"Reichert","full_name":"Reichert, M."},{"first_name":"A. R.","last_name":"Bausch","full_name":"Bausch, A. R."}],"department":[{"_id":"EdHa"}],"publisher":"Springer Nature","publication_status":"published","acknowledgement":"A.R.B. acknowledges the financial support of the European Research Council (ERC) through the funding of the grant Principles of Integrin Mechanics and Adhesion (PoINT) and the German Research Foundation (DFG, SFB 1032, project ID 201269156). E.H. was supported by the European Union (European Research Council Starting Grant 851288). D.S., M.R., and R.R. acknowledge the support by the German Research Foundation (DFG, SFB1321 Modeling and Targeting Pancreatic Cancer, Project S01, project ID 329628492). C.S. and M.R. acknowledge the support by the German Research Foundation (DFG, SFB1321 Modeling and Targeting Pancreatic Cancer, Project 12, project ID 329628492). M.R. was supported by the German Research Foundation (DFG RE 3723/4-1). A.P. and M.R. were supported by the German Cancer Aid (Max-Eder Program 111273 and 70114328).\r\nOpen Access funding enabled and organized by Projekt DEAL.","year":"2022"}]