[{"publication_status":"published","main_file_link":[{"url":"https://doi.org/10.1103/PhysRevX.8.031060","open_access":"1"}],"oa":1,"volume":8,"issue":"3","article_processing_charge":"No","article_number":"031060","abstract":[{"text":"Molecular chirality plays an essential role in most biochemical processes. The observation and quantification of chirality-sensitive signals, however, remains extremely challenging, especially on ultrafast timescales and in dilute media. Here, we describe the experimental realization of an all-optical and ultrafast scheme for detecting chiral dynamics in molecules. This technique is based on high-harmonic generation by a combination of two-color counterrotating femtosecond laser pulses with polarization states tunable from linear to circular. We demonstrate two different implementations of chiral-sensitive high-harmonic spectroscopy on an ensemble of randomly oriented methyloxirane molecules in the gas phase. Using two elliptically polarized fields, we observe that the ellipticities maximizing the harmonic signal reach up to \r\n4.4\r\n±\r\n0.2\r\n%\r\n (at 17.6 eV). Using two circularly polarized fields, we observe circular dichroisms ranging up to \r\n13\r\n±\r\n6\r\n%\r\n (28.3–33.1 eV). Our theoretical analysis confirms that the observed chiral response originates from subfemtosecond electron dynamics driven by the magnetic component of the driving laser field. This assignment is supported by the experimental observation of a strong intensity dependence of the chiral effects and its agreement with theory. We moreover report and explain a pronounced variation of the signal strength and dichroism with the driving-field ellipticities and harmonic orders. Finally, we demonstrate the sensitivity of the experimental observables to the shape of the electron hole. This technique for chiral discrimination will yield femtosecond temporal resolution when integrated in a pump-probe scheme and subfemtosecond resolution on chiral charge migration in a self-probing scheme.","lang":"eng"}],"_id":"14003","date_published":"2018-07-01T00:00:00Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2023-08-22T07:42:07Z","scopus_import":"1","publication_identifier":{"eissn":["2160-3308"]},"article_type":"original","year":"2018","oa_version":"Published Version","publisher":"American Physical Society","quality_controlled":"1","publication":"Physical Review X","intvolume":" 8","status":"public","extern":"1","month":"07","date_created":"2023-08-10T06:34:48Z","language":[{"iso":"eng"}],"keyword":["General Physics and Astronomy"],"doi":"10.1103/physrevx.8.031060","citation":{"short":"D.R. Baykusheva, H.J. Wörner, Physical Review X 8 (2018).","apa":"Baykusheva, D. R., & Wörner, H. J. (2018). Chiral discrimination through bielliptical high-harmonic spectroscopy. Physical Review X. American Physical Society. https://doi.org/10.1103/physrevx.8.031060","ama":"Baykusheva DR, Wörner HJ. Chiral discrimination through bielliptical high-harmonic spectroscopy. Physical Review X. 2018;8(3). doi:10.1103/physrevx.8.031060","ieee":"D. R. Baykusheva and H. J. Wörner, “Chiral discrimination through bielliptical high-harmonic spectroscopy,” Physical Review X, vol. 8, no. 3. American Physical Society, 2018.","ista":"Baykusheva DR, Wörner HJ. 2018. Chiral discrimination through bielliptical high-harmonic spectroscopy. Physical Review X. 8(3), 031060.","chicago":"Baykusheva, Denitsa Rangelova, and Hans Jakob Wörner. “Chiral Discrimination through Bielliptical High-Harmonic Spectroscopy.” Physical Review X. American Physical Society, 2018. https://doi.org/10.1103/physrevx.8.031060.","mla":"Baykusheva, Denitsa Rangelova, and Hans Jakob Wörner. “Chiral Discrimination through Bielliptical High-Harmonic Spectroscopy.” Physical Review X, vol. 8, no. 3, 031060, American Physical Society, 2018, doi:10.1103/physrevx.8.031060."},"title":"Chiral discrimination through bielliptical high-harmonic spectroscopy","day":"01","author":[{"id":"71b4d059-2a03-11ee-914d-dfa3beed6530","last_name":"Baykusheva","first_name":"Denitsa Rangelova","full_name":"Baykusheva, Denitsa Rangelova"},{"full_name":"Wörner, Hans Jakob","first_name":"Hans Jakob","last_name":"Wörner"}],"type":"journal_article"},{"extern":"1","month":"05","date_created":"2023-09-06T12:07:33Z","quality_controlled":"1","publication":"Nature Communications","intvolume":" 9","status":"public","publisher":"Springer Nature","day":"04","author":[{"last_name":"Bräuning","full_name":"Bräuning, Bastian","first_name":"Bastian"},{"full_name":"Bertosin, Eva","first_name":"Eva","last_name":"Bertosin"},{"last_name":"Praetorius","full_name":"Praetorius, Florian M","first_name":"Florian M","id":"dfec9381-4341-11ee-8fd8-faa02bba7d62"},{"last_name":"Ihling","first_name":"Christian","full_name":"Ihling, Christian"},{"full_name":"Schatt, Alexandra","first_name":"Alexandra","last_name":"Schatt"},{"last_name":"Adler","full_name":"Adler, Agnes","first_name":"Agnes"},{"last_name":"Richter","first_name":"Klaus","full_name":"Richter, Klaus"},{"last_name":"Sinz","full_name":"Sinz, Andrea","first_name":"Andrea"},{"last_name":"Dietz","full_name":"Dietz, Hendrik","first_name":"Hendrik"},{"last_name":"Groll","first_name":"Michael","full_name":"Groll, Michael"}],"type":"journal_article","citation":{"apa":"Bräuning, B., Bertosin, E., Praetorius, F. M., Ihling, C., Schatt, A., Adler, A., … Groll, M. (2018). Structure and mechanism of the two-component α-helical pore-forming toxin YaxAB. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-018-04139-2","ama":"Bräuning B, Bertosin E, Praetorius FM, et al. Structure and mechanism of the two-component α-helical pore-forming toxin YaxAB. Nature Communications. 2018;9. doi:10.1038/s41467-018-04139-2","short":"B. Bräuning, E. Bertosin, F.M. Praetorius, C. Ihling, A. Schatt, A. Adler, K. Richter, A. Sinz, H. Dietz, M. Groll, Nature Communications 9 (2018).","mla":"Bräuning, Bastian, et al. “Structure and Mechanism of the Two-Component α-Helical Pore-Forming Toxin YaxAB.” Nature Communications, vol. 9, 1806, Springer Nature, 2018, doi:10.1038/s41467-018-04139-2.","ista":"Bräuning B, Bertosin E, Praetorius FM, Ihling C, Schatt A, Adler A, Richter K, Sinz A, Dietz H, Groll M. 2018. Structure and mechanism of the two-component α-helical pore-forming toxin YaxAB. Nature Communications. 9, 1806.","ieee":"B. Bräuning et al., “Structure and mechanism of the two-component α-helical pore-forming toxin YaxAB,” Nature Communications, vol. 9. Springer Nature, 2018.","chicago":"Bräuning, Bastian, Eva Bertosin, Florian M Praetorius, Christian Ihling, Alexandra Schatt, Agnes Adler, Klaus Richter, Andrea Sinz, Hendrik Dietz, and Michael Groll. “Structure and Mechanism of the Two-Component α-Helical Pore-Forming Toxin YaxAB.” Nature Communications. Springer Nature, 2018. https://doi.org/10.1038/s41467-018-04139-2."},"title":"Structure and mechanism of the two-component α-helical pore-forming toxin YaxAB","language":[{"iso":"eng"}],"keyword":["General Physics and Astronomy","General Biochemistry","Genetics and Molecular Biology","General Chemistry","Multidisciplinary"],"doi":"10.1038/s41467-018-04139-2","pmid":1,"article_number":"1806","_id":"14284","date_published":"2018-05-04T00:00:00Z","abstract":[{"lang":"eng","text":"Pore-forming toxins (PFT) are virulence factors that transform from soluble to membrane-bound states. The Yersinia YaxAB system represents a family of binary α-PFTs with orthologues in human, insect, and plant pathogens, with unknown structures. YaxAB was shown to be cytotoxic and likely involved in pathogenesis, though the molecular basis for its two-component lytic mechanism remains elusive. Here, we present crystal structures of YaxA and YaxB, together with a cryo-electron microscopy map of the YaxAB complex. Our structures reveal a pore predominantly composed of decamers of YaxA–YaxB heterodimers. Both subunits bear membrane-active moieties, but only YaxA is capable of binding to membranes by itself. YaxB can subsequently be recruited to membrane-associated YaxA and induced to present its lytic transmembrane helices. Pore formation can progress by further oligomerization of YaxA–YaxB dimers. Our results allow for a comparison between pore assemblies belonging to the wider ClyA-like family of α-PFTs, highlighting diverse pore architectures."}],"article_processing_charge":"No","volume":9,"publication_status":"published","oa":1,"main_file_link":[{"open_access":"1","url":"https://doi.org/10.1038/s41467-018-04139-2"}],"article_type":"original","year":"2018","oa_version":"Published Version","date_updated":"2023-11-07T11:46:12Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","external_id":{"pmid":["29728606"]},"scopus_import":"1","publication_identifier":{"issn":["2041-1723"]}},{"scopus_import":"1","external_id":{"pmid":["29350911"]},"date_updated":"2021-11-26T15:57:02Z","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","publication_identifier":{"eissn":["1936-086X"],"issn":["1936-0851"]},"article_type":"original","oa_version":"None","year":"2018","publication_status":"published","volume":12,"article_processing_charge":"No","issue":"2","_id":"10362","date_published":"2018-01-19T00:00:00Z","abstract":[{"text":"Nuclear pore complexes (NPCs) form gateways that control molecular exchange between the nucleus and the cytoplasm. They impose a diffusion barrier to macromolecules and enable the selective transport of nuclear transport receptors with bound cargo. The underlying mechanisms that establish these permeability properties remain to be fully elucidated but require unstructured nuclear pore proteins rich in Phe-Gly (FG)-repeat domains of different types, such as FxFG and GLFG. While physical modeling and in vitro approaches have provided a framework for explaining how the FG network contributes to the barrier and transport properties of the NPC, it remains unknown whether the number and/or the spatial positioning of different FG-domains along a cylindrical, ∼40 nm diameter transport channel contributes to their collective properties and function. To begin to answer these questions, we have used DNA origami to build a cylinder that mimics the dimensions of the central transport channel and can house a specified number of FG-domains at specific positions with easily tunable design parameters, such as grafting density and topology. We find the overall morphology of the FG-domain assemblies to be dependent on their chemical composition, determined by the type and density of FG-repeat, and on their architectural confinement provided by the DNA cylinder, largely consistent with here presented molecular dynamics simulations based on a coarse-grained polymer model. In addition, high-speed atomic force microscopy reveals local and reversible FG-domain condensation that transiently occludes the lumen of the DNA central channel mimics, suggestive of how the NPC might establish its permeability properties.","lang":"eng"}],"pmid":1,"acknowledgement":"We thank J. Edel and members of the Lusk, Lin and Hoogenboom lab for discussion and acknowledge A. Pyne and R. Thorogate for support carrying out the AFM experiments. This work was funded by the NIH (R21GM109466 to CPL, CL and TJM, DP2GM114830 to CL, RO1GM105672 to CPL, and T32GM007223 to PDEF) and the UK Engineering and Physical Sciences Research Council (EP/L015277/1, EP/L504889/1, and EP/M028100/1).","keyword":["general physics and astronomy"],"language":[{"iso":"eng"}],"doi":"10.1021/acsnano.7b08044","citation":{"ama":"Fisher PDE, Shen Q, Akpinar B, et al. A Programmable DNA origami platform for organizing intrinsically disordered nucleoporins within nanopore confinement. ACS Nano. 2018;12(2):1508-1518. doi:10.1021/acsnano.7b08044","apa":"Fisher, P. D. E., Shen, Q., Akpinar, B., Davis, L. K., Chung, K. K. H., Baddeley, D., … Lusk, C. P. (2018). A Programmable DNA origami platform for organizing intrinsically disordered nucleoporins within nanopore confinement. ACS Nano. American Chemical Society. https://doi.org/10.1021/acsnano.7b08044","short":"P.D.E. Fisher, Q. Shen, B. Akpinar, L.K. Davis, K.K.H. Chung, D. Baddeley, A. Šarić, T.J. Melia, B.W. Hoogenboom, C. Lin, C.P. Lusk, ACS Nano 12 (2018) 1508–1518.","mla":"Fisher, Patrick D. Ellis, et al. “A Programmable DNA Origami Platform for Organizing Intrinsically Disordered Nucleoporins within Nanopore Confinement.” ACS Nano, vol. 12, no. 2, American Chemical Society, 2018, pp. 1508–18, doi:10.1021/acsnano.7b08044.","chicago":"Fisher, Patrick D. Ellis, Qi Shen, Bernice Akpinar, Luke K. Davis, Kenny Kwok Hin Chung, David Baddeley, Anđela Šarić, et al. “A Programmable DNA Origami Platform for Organizing Intrinsically Disordered Nucleoporins within Nanopore Confinement.” ACS Nano. American Chemical Society, 2018. https://doi.org/10.1021/acsnano.7b08044.","ista":"Fisher PDE, Shen Q, Akpinar B, Davis LK, Chung KKH, Baddeley D, Šarić A, Melia TJ, Hoogenboom BW, Lin C, Lusk CP. 2018. A Programmable DNA origami platform for organizing intrinsically disordered nucleoporins within nanopore confinement. ACS Nano. 12(2), 1508–1518.","ieee":"P. D. E. Fisher et al., “A Programmable DNA origami platform for organizing intrinsically disordered nucleoporins within nanopore confinement,” ACS Nano, vol. 12, no. 2. American Chemical Society, pp. 1508–1518, 2018."},"title":"A Programmable DNA origami platform for organizing intrinsically disordered nucleoporins within nanopore confinement","day":"19","author":[{"first_name":"Patrick D. Ellis","full_name":"Fisher, Patrick D. Ellis","last_name":"Fisher"},{"full_name":"Shen, Qi","first_name":"Qi","last_name":"Shen"},{"last_name":"Akpinar","full_name":"Akpinar, Bernice","first_name":"Bernice"},{"first_name":"Luke K.","full_name":"Davis, Luke K.","last_name":"Davis"},{"last_name":"Chung","full_name":"Chung, Kenny Kwok Hin","first_name":"Kenny Kwok Hin"},{"full_name":"Baddeley, David","first_name":"David","last_name":"Baddeley"},{"last_name":"Šarić","full_name":"Šarić, Anđela","first_name":"Anđela","orcid":"0000-0002-7854-2139","id":"bf63d406-f056-11eb-b41d-f263a6566d8b"},{"first_name":"Thomas J.","full_name":"Melia, Thomas J.","last_name":"Melia"},{"last_name":"Hoogenboom","full_name":"Hoogenboom, Bart W.","first_name":"Bart W."},{"first_name":"Chenxiang","full_name":"Lin, Chenxiang","last_name":"Lin"},{"last_name":"Lusk","first_name":"C. Patrick","full_name":"Lusk, C. Patrick"}],"type":"journal_article","publisher":"American Chemical Society","publication":"ACS Nano","quality_controlled":"1","status":"public","intvolume":" 12","page":"1508-1518","month":"01","extern":"1","date_created":"2021-11-26T15:15:00Z"},{"article_type":"original","year":"2018","oa_version":"Preprint","scopus_import":"1","external_id":{"arxiv":["1805.04199"]},"user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","date_updated":"2022-01-14T13:48:35Z","publication_identifier":{"issn":["0031-9007"],"eissn":["1079-7114"]},"article_number":"226801","date_published":"2018-11-28T00:00:00Z","_id":"10626","abstract":[{"text":"Owing to their wide tunability, multiple internal degrees of freedom, and low disorder, graphene heterostructures are emerging as a promising experimental platform for fractional quantum Hall (FQH) studies. Here, we report FQH thermal activation gap measurements in dual graphite-gated monolayer graphene devices fabricated in an edgeless Corbino geometry. In devices with substrate-induced sublattice splitting, we find a tunable crossover between single- and multicomponent FQH states in the zero energy Landau level. Activation gaps in the single-component regime show excellent agreement with numerical calculations using a single broadening parameter \r\nΓ≈7.2K. In the first excited Landau level, in contrast, FQH gaps are strongly influenced by Landau level mixing, and we observe an unexpected valley-ordered state at integer filling ν=−4.","lang":"eng"}],"arxiv":1,"article_processing_charge":"No","issue":"22","volume":121,"publication_status":"published","main_file_link":[{"url":"https://arxiv.org/abs/1805.04199","open_access":"1"}],"oa":1,"day":"28","author":[{"id":"edfc7cb1-526e-11ec-b05a-e6ecc27e4e48","orcid":"0000-0001-8223-8896","last_name":"Polshyn","full_name":"Polshyn, Hryhoriy","first_name":"Hryhoriy"},{"last_name":"Zhou","first_name":"H.","full_name":"Zhou, H."},{"last_name":"Spanton","first_name":"E. M.","full_name":"Spanton, E. M."},{"full_name":"Taniguchi, T.","first_name":"T.","last_name":"Taniguchi"},{"last_name":"Watanabe","first_name":"K.","full_name":"Watanabe, K."},{"last_name":"Young","first_name":"A. F.","full_name":"Young, A. F."}],"type":"journal_article","citation":{"mla":"Polshyn, Hryhoriy, et al. “Quantitative Transport Measurements of Fractional Quantum Hall Energy Gaps in Edgeless Graphene Devices.” Physical Review Letters, vol. 121, no. 22, 226801, American Physical Society, 2018, doi:10.1103/physrevlett.121.226801.","chicago":"Polshyn, Hryhoriy, H. Zhou, E. M. Spanton, T. Taniguchi, K. Watanabe, and A. F. Young. “Quantitative Transport Measurements of Fractional Quantum Hall Energy Gaps in Edgeless Graphene Devices.” Physical Review Letters. American Physical Society, 2018. https://doi.org/10.1103/physrevlett.121.226801.","ista":"Polshyn H, Zhou H, Spanton EM, Taniguchi T, Watanabe K, Young AF. 2018. Quantitative transport measurements of fractional quantum Hall energy gaps in edgeless graphene devices. Physical Review Letters. 121(22), 226801.","ieee":"H. Polshyn, H. Zhou, E. M. Spanton, T. Taniguchi, K. Watanabe, and A. F. Young, “Quantitative transport measurements of fractional quantum Hall energy gaps in edgeless graphene devices,” Physical Review Letters, vol. 121, no. 22. American Physical Society, 2018.","ama":"Polshyn H, Zhou H, Spanton EM, Taniguchi T, Watanabe K, Young AF. Quantitative transport measurements of fractional quantum Hall energy gaps in edgeless graphene devices. Physical Review Letters. 2018;121(22). doi:10.1103/physrevlett.121.226801","apa":"Polshyn, H., Zhou, H., Spanton, E. M., Taniguchi, T., Watanabe, K., & Young, A. F. (2018). Quantitative transport measurements of fractional quantum Hall energy gaps in edgeless graphene devices. Physical Review Letters. American Physical Society. https://doi.org/10.1103/physrevlett.121.226801","short":"H. Polshyn, H. Zhou, E.M. Spanton, T. Taniguchi, K. Watanabe, A.F. Young, Physical Review Letters 121 (2018)."},"title":"Quantitative transport measurements of fractional quantum Hall energy gaps in edgeless graphene devices","keyword":["general physics and astronomy"],"language":[{"iso":"eng"}],"doi":"10.1103/physrevlett.121.226801","acknowledgement":"We thank Cory Dean, S. Chen, Y. Zeng, M. Yankowitz, and J. Li for discussing their unpublished data and for sharing the stack inversion technique. The authors acknowledge further discussions of the results with I. Sodemann, M. Zaletel, C. Nayak, and J. Jain. A. F. Y., H. P., H. Z., and E. M. S. were supported by the ARO under awards 69188PHH and MURI W911NF-17-1-0323. A portion of this work was performed at the National High Magnetic Field Laboratory, which is supported by National Science Foundation Cooperative Agreement No. DMR-1644779 and the State of Florida. K. W. and T. T. acknowledge support from the Elemental Strategy Initiative conducted by the MEXT, Japan, and JSPS KAKENHI Grant No. JP15K21722. E. M. S. acknowledges the support of the Elings Prize Fellowship in Science of the California Nanosystems Institute at the University of California, Santa Barbara. A. F. Y. acknowledges the support of the David and Lucile Packard Foundation.","month":"11","extern":"1","date_created":"2022-01-14T12:15:47Z","publication":"Physical Review Letters","quality_controlled":"1","status":"public","intvolume":" 121","publisher":"American Physical Society"},{"publisher":"Springer Nature","publication":"Nature Communications","quality_controlled":"1","intvolume":" 8","status":"public","month":"08","extern":"1","date_created":"2022-04-07T07:45:50Z","pmid":1,"keyword":["General Physics and Astronomy","General Biochemistry","Genetics and Molecular Biology","General Chemistry"],"language":[{"iso":"eng"}],"doi":"10.1038/s41467-017-00322-z","citation":{"ama":"Buchwalter A, Hetzer M. Nucleolar expansion and elevated protein translation in premature aging. Nature Communications. 2017;8. doi:10.1038/s41467-017-00322-z","apa":"Buchwalter, A., & Hetzer, M. (2017). Nucleolar expansion and elevated protein translation in premature aging. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-017-00322-z","short":"A. Buchwalter, M. Hetzer, Nature Communications 8 (2017).","mla":"Buchwalter, Abigail, and Martin Hetzer. “Nucleolar Expansion and Elevated Protein Translation in Premature Aging.” Nature Communications, vol. 8, 328, Springer Nature, 2017, doi:10.1038/s41467-017-00322-z.","chicago":"Buchwalter, Abigail, and Martin Hetzer. “Nucleolar Expansion and Elevated Protein Translation in Premature Aging.” Nature Communications. Springer Nature, 2017. https://doi.org/10.1038/s41467-017-00322-z.","ieee":"A. Buchwalter and M. Hetzer, “Nucleolar expansion and elevated protein translation in premature aging,” Nature Communications, vol. 8. Springer Nature, 2017.","ista":"Buchwalter A, Hetzer M. 2017. Nucleolar expansion and elevated protein translation in premature aging. Nature Communications. 8, 328."},"title":"Nucleolar expansion and elevated protein translation in premature aging","day":"30","type":"journal_article","author":[{"full_name":"Buchwalter, Abigail","first_name":"Abigail","last_name":"Buchwalter"},{"last_name":"HETZER","first_name":"Martin W","full_name":"HETZER, Martin W","orcid":"0000-0002-2111-992X","id":"86c0d31b-b4eb-11ec-ac5a-eae7b2e135ed"}],"publication_status":"published","oa":1,"main_file_link":[{"url":"https://doi.org/10.1038/s41467-017-00322-z","open_access":"1"}],"volume":8,"article_processing_charge":"No","article_number":"328","date_published":"2017-08-30T00:00:00Z","_id":"11065","abstract":[{"lang":"eng","text":"Premature aging disorders provide an opportunity to study the mechanisms that drive aging. In Hutchinson-Gilford progeria syndrome (HGPS), a mutant form of the nuclear scaffold protein lamin A distorts nuclei and sequesters nuclear proteins. We sought to investigate protein homeostasis in this disease. Here, we report a widespread increase in protein turnover in HGPS-derived cells compared to normal cells. We determine that global protein synthesis is elevated as a consequence of activated nucleoli and enhanced ribosome biogenesis in HGPS-derived fibroblasts. Depleting normal lamin A or inducing mutant lamin A expression are each sufficient to drive nucleolar expansion. We further show that nucleolar size correlates with donor age in primary fibroblasts derived from healthy individuals and that ribosomal RNA production increases with age, indicating that nucleolar size and activity can serve as aging biomarkers. While limiting ribosome biogenesis extends lifespan in several systems, we show that increased ribosome biogenesis and activity are a hallmark of premature aging."}],"scopus_import":"1","external_id":{"pmid":["28855503"]},"date_updated":"2022-07-18T08:33:03Z","user_id":"72615eeb-f1f3-11ec-aa25-d4573ddc34fd","publication_identifier":{"issn":["2041-1723"]},"article_type":"original","oa_version":"Published Version","year":"2017"},{"type":"journal_article","author":[{"id":"71b4d059-2a03-11ee-914d-dfa3beed6530","last_name":"Baykusheva","first_name":"Denitsa Rangelova","full_name":"Baykusheva, Denitsa Rangelova"},{"first_name":"Simon","full_name":"Brennecke, Simon","last_name":"Brennecke"},{"last_name":"Lein","full_name":"Lein, Manfred","first_name":"Manfred"},{"last_name":"Wörner","full_name":"Wörner, Hans Jakob","first_name":"Hans Jakob"}],"day":"17","title":"Signatures of electronic structure in bicircular high-harmonic spectroscopy","citation":{"ama":"Baykusheva DR, Brennecke S, Lein M, Wörner HJ. Signatures of electronic structure in bicircular high-harmonic spectroscopy. Physical Review Letters. 2017;119(20). doi:10.1103/physrevlett.119.203201","apa":"Baykusheva, D. R., Brennecke, S., Lein, M., & Wörner, H. J. (2017). Signatures of electronic structure in bicircular high-harmonic spectroscopy. Physical Review Letters. American Physical Society. https://doi.org/10.1103/physrevlett.119.203201","short":"D.R. Baykusheva, S. Brennecke, M. Lein, H.J. Wörner, Physical Review Letters 119 (2017).","mla":"Baykusheva, Denitsa Rangelova, et al. “Signatures of Electronic Structure in Bicircular High-Harmonic Spectroscopy.” Physical Review Letters, vol. 119, no. 20, 203201, American Physical Society, 2017, doi:10.1103/physrevlett.119.203201.","chicago":"Baykusheva, Denitsa Rangelova, Simon Brennecke, Manfred Lein, and Hans Jakob Wörner. “Signatures of Electronic Structure in Bicircular High-Harmonic Spectroscopy.” Physical Review Letters. American Physical Society, 2017. https://doi.org/10.1103/physrevlett.119.203201.","ista":"Baykusheva DR, Brennecke S, Lein M, Wörner HJ. 2017. Signatures of electronic structure in bicircular high-harmonic spectroscopy. Physical Review Letters. 119(20), 203201.","ieee":"D. R. Baykusheva, S. Brennecke, M. Lein, and H. J. Wörner, “Signatures of electronic structure in bicircular high-harmonic spectroscopy,” Physical Review Letters, vol. 119, no. 20. American Physical Society, 2017."},"doi":"10.1103/physrevlett.119.203201","language":[{"iso":"eng"}],"keyword":["General Physics and Astronomy"],"date_created":"2023-08-10T06:35:51Z","extern":"1","month":"11","status":"public","intvolume":" 119","quality_controlled":"1","publication":"Physical Review Letters","publisher":"American Physical Society","year":"2017","oa_version":"Preprint","article_type":"original","publication_identifier":{"eissn":["1079-7114"],"issn":["0031-9007"]},"date_updated":"2023-08-22T08:21:10Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","external_id":{"arxiv":["1710.04474"]},"scopus_import":"1","_id":"14004","abstract":[{"text":"High-harmonic spectroscopy driven by circularly polarized laser pulses and their counterrotating second harmonic is a new branch of attosecond science which currently lacks quantitative interpretations. We extend this technique to the midinfrared regime and record detailed high-harmonic spectra of several rare-gas atoms. These results are compared with the solution of the Schrödinger equation in three dimensions and calculations based on the strong-field approximation that incorporate accurate scattering-wave recombination matrix elements. A quantum-orbit analysis of these results provides a transparent interpretation of the measured intensity ratios of symmetry-allowed neighboring harmonics in terms of (i) a set of propensity rules related to the angular momentum of the atomic orbitals, (ii) atom-specific matrix elements related to their electronic structure, and (iii) the interference of the emissions associated with electrons in orbitals corotating or counterrotating with the laser fields. These results provide the foundation for a quantitative understanding of bicircular high-harmonic spectroscopy.","lang":"eng"}],"date_published":"2017-11-17T00:00:00Z","article_number":"203201","issue":"20","article_processing_charge":"No","arxiv":1,"volume":119,"oa":1,"main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/1710.04474"}],"publication_status":"published"},{"date_updated":"2023-08-22T08:26:06Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","scopus_import":"1","external_id":{"pmid":["28643771"]},"publication_identifier":{"eissn":["2041-1723"]},"article_type":"original","year":"2017","oa_version":"Published Version","volume":8,"publication_status":"published","oa":1,"main_file_link":[{"url":"https://doi.org/10.1038/ncomms15651","open_access":"1"}],"article_number":"15651","_id":"14005","date_published":"2017-06-15T00:00:00Z","abstract":[{"lang":"eng","text":"Strong-field photoelectron holography and laser-induced electron diffraction (LIED) are two powerful emerging methods for probing the ultrafast dynamics of molecules. However, both of them have remained restricted to static systems and to nuclear dynamics induced by strong-field ionization. Here we extend these promising methods to image purely electronic valence-shell dynamics in molecules using photoelectron holography. In the same experiment, we use LIED and photoelectron holography simultaneously, to observe coupled electronic-rotational dynamics taking place on similar timescales. These results offer perspectives for imaging ultrafast dynamics of molecules on femtosecond to attosecond timescales."}],"article_processing_charge":"No","language":[{"iso":"eng"}],"keyword":["General Physics and Astronomy","General Biochemistry","Genetics and Molecular Biology","General Chemistry","Multidisciplinary"],"doi":"10.1038/ncomms15651","pmid":1,"day":"15","author":[{"last_name":"Walt","first_name":"Samuel G.","full_name":"Walt, Samuel G."},{"last_name":"Bhargava Ram","first_name":"Niraghatam","full_name":"Bhargava Ram, Niraghatam"},{"full_name":"Atala, Marcos","first_name":"Marcos","last_name":"Atala"},{"last_name":"Shvetsov-Shilovski","full_name":"Shvetsov-Shilovski, Nikolay I","first_name":"Nikolay I"},{"full_name":"von Conta, Aaron","first_name":"Aaron","last_name":"von Conta"},{"last_name":"Baykusheva","first_name":"Denitsa Rangelova","full_name":"Baykusheva, Denitsa Rangelova","id":"71b4d059-2a03-11ee-914d-dfa3beed6530"},{"last_name":"Lein","full_name":"Lein, Manfred","first_name":"Manfred"},{"last_name":"Wörner","first_name":"Hans Jakob","full_name":"Wörner, Hans Jakob"}],"type":"journal_article","citation":{"short":"S.G. Walt, N. Bhargava Ram, M. Atala, N.I. Shvetsov-Shilovski, A. von Conta, D.R. Baykusheva, M. Lein, H.J. Wörner, Nature Communications 8 (2017).","apa":"Walt, S. G., Bhargava Ram, N., Atala, M., Shvetsov-Shilovski, N. I., von Conta, A., Baykusheva, D. R., … Wörner, H. J. (2017). Dynamics of valence-shell electrons and nuclei probed by strong-field holography and rescattering. Nature Communications. Springer Nature. https://doi.org/10.1038/ncomms15651","ama":"Walt SG, Bhargava Ram N, Atala M, et al. Dynamics of valence-shell electrons and nuclei probed by strong-field holography and rescattering. Nature Communications. 2017;8. doi:10.1038/ncomms15651","ista":"Walt SG, Bhargava Ram N, Atala M, Shvetsov-Shilovski NI, von Conta A, Baykusheva DR, Lein M, Wörner HJ. 2017. Dynamics of valence-shell electrons and nuclei probed by strong-field holography and rescattering. Nature Communications. 8, 15651.","ieee":"S. G. Walt et al., “Dynamics of valence-shell electrons and nuclei probed by strong-field holography and rescattering,” Nature Communications, vol. 8. Springer Nature, 2017.","chicago":"Walt, Samuel G., Niraghatam Bhargava Ram, Marcos Atala, Nikolay I Shvetsov-Shilovski, Aaron von Conta, Denitsa Rangelova Baykusheva, Manfred Lein, and Hans Jakob Wörner. “Dynamics of Valence-Shell Electrons and Nuclei Probed by Strong-Field Holography and Rescattering.” Nature Communications. Springer Nature, 2017. https://doi.org/10.1038/ncomms15651.","mla":"Walt, Samuel G., et al. “Dynamics of Valence-Shell Electrons and Nuclei Probed by Strong-Field Holography and Rescattering.” Nature Communications, vol. 8, 15651, Springer Nature, 2017, doi:10.1038/ncomms15651."},"title":"Dynamics of valence-shell electrons and nuclei probed by strong-field holography and rescattering","quality_controlled":"1","publication":"Nature Communications","status":"public","intvolume":" 8","publisher":"Springer Nature","extern":"1","month":"06","date_created":"2023-08-10T06:36:09Z"},{"author":[{"id":"71b4d059-2a03-11ee-914d-dfa3beed6530","full_name":"Baykusheva, Denitsa Rangelova","first_name":"Denitsa Rangelova","last_name":"Baykusheva"},{"last_name":"Wörner","full_name":"Wörner, Hans Jakob","first_name":"Hans Jakob"}],"type":"journal_article","day":"28","title":"Theory of attosecond delays in molecular photoionization","citation":{"chicago":"Baykusheva, Denitsa Rangelova, and Hans Jakob Wörner. “Theory of Attosecond Delays in Molecular Photoionization.” The Journal of Chemical Physics. AIP Publishing, 2017. https://doi.org/10.1063/1.4977933.","ieee":"D. R. Baykusheva and H. J. Wörner, “Theory of attosecond delays in molecular photoionization,” The Journal of Chemical Physics, vol. 146, no. 12. AIP Publishing, 2017.","ista":"Baykusheva DR, Wörner HJ. 2017. Theory of attosecond delays in molecular photoionization. The Journal of Chemical Physics. 146(12), 124306.","mla":"Baykusheva, Denitsa Rangelova, and Hans Jakob Wörner. “Theory of Attosecond Delays in Molecular Photoionization.” The Journal of Chemical Physics, vol. 146, no. 12, 124306, AIP Publishing, 2017, doi:10.1063/1.4977933.","short":"D.R. Baykusheva, H.J. Wörner, The Journal of Chemical Physics 146 (2017).","ama":"Baykusheva DR, Wörner HJ. Theory of attosecond delays in molecular photoionization. The Journal of Chemical Physics. 2017;146(12). doi:10.1063/1.4977933","apa":"Baykusheva, D. R., & Wörner, H. J. (2017). Theory of attosecond delays in molecular photoionization. The Journal of Chemical Physics. AIP Publishing. https://doi.org/10.1063/1.4977933"},"doi":"10.1063/1.4977933","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"language":[{"iso":"eng"}],"pmid":1,"date_created":"2023-08-10T06:36:19Z","month":"03","extern":"1","status":"public","intvolume":" 146","publication":"The Journal of Chemical Physics","quality_controlled":"1","publisher":"AIP Publishing","year":"2017","oa_version":"None","article_type":"original","publication_identifier":{"issn":["0021-9606"],"eissn":["1089-7690"]},"scopus_import":"1","external_id":{"pmid":["28388142"]},"date_updated":"2023-08-22T08:30:59Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","_id":"14006","date_published":"2017-03-28T00:00:00Z","abstract":[{"lang":"eng","text":"We present a theoretical formalism for the calculation of attosecond delays in molecular photoionization. It is shown how delays relevant to one-photon-ionization, also known as Eisenbud-Wigner-Smith delays, can be obtained from the complex dipole matrix elements provided by molecular quantum scattering theory. These results are used to derive formulae for the delays measured by two-photon attosecond interferometry based on an attosecond pulse train and a dressing femtosecond infrared pulse. These effective delays are first expressed in the molecular frame where maximal information about the molecular photoionization dynamics is available. The effects of averaging over the emission direction of the electron and the molecular orientation are introduced analytically. We illustrate this general formalism for the case of two polyatomic molecules. N2O serves as an example of a polar linear molecule characterized by complex photoionization dynamics resulting from the presence of molecular shape resonances. H2O illustrates the case of a non-linear molecule with comparably simple photoionization dynamics resulting from a flat continuum. Our theory establishes the foundation for interpreting measurements of the photoionization dynamics of all molecules by attosecond metrology."}],"article_number":"124306","article_processing_charge":"No","issue":"12","volume":146,"publication_status":"published"},{"article_type":"original","oa_version":"Preprint","year":"2017","scopus_import":"1","external_id":{"pmid":["29219334"],"arxiv":["1710.04474"]},"date_updated":"2023-08-22T06:48:28Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_identifier":{"eissn":["1079-7114"],"issn":["0031-9007"]},"article_number":"203201","abstract":[{"text":"High-harmonic spectroscopy driven by circularly polarized laser pulses and their counterrotating second harmonic is a new branch of attosecond science which currently lacks quantitative interpretations. We extend this technique to the midinfrared regime and record detailed high-harmonic spectra of several rare-gas atoms. These results are compared with the solution of the Schrödinger equation in three dimensions and calculations based on the strong-field approximation that incorporate accurate scattering-wave recombination matrix elements. A quantum-orbit analysis of these results provides a transparent interpretation of the measured intensity ratios of symmetry-allowed neighboring harmonics in terms of (i) a set of propensity rules related to the angular momentum of the atomic orbitals, (ii) atom-specific matrix elements related to their electronic structure, and (iii) the interference of the emissions associated with electrons in orbitals corotating or counterrotating with the laser fields. These results provide the foundation for a quantitative understanding of bicircular high-harmonic spectroscopy.","lang":"eng"}],"_id":"14031","date_published":"2017-11-17T00:00:00Z","arxiv":1,"article_processing_charge":"No","issue":"20","volume":119,"publication_status":"published","main_file_link":[{"open_access":"1","url":"https://arxiv.org/abs/1710.04474"}],"oa":1,"day":"17","type":"journal_article","author":[{"id":"71b4d059-2a03-11ee-914d-dfa3beed6530","last_name":"Baykusheva","full_name":"Baykusheva, Denitsa Rangelova","first_name":"Denitsa Rangelova"},{"first_name":"Simon","full_name":"Brennecke, Simon","last_name":"Brennecke"},{"last_name":"Lein","first_name":"Manfred","full_name":"Lein, Manfred"},{"last_name":"Wörner","full_name":"Wörner, Hans Jakob","first_name":"Hans Jakob"}],"citation":{"chicago":"Baykusheva, Denitsa Rangelova, Simon Brennecke, Manfred Lein, and Hans Jakob Wörner. “Signatures of Electronic Structure in Bicircular High-Harmonic Spectroscopy.” Physical Review Letters. American Physical Society, 2017. https://doi.org/10.1103/physrevlett.119.203201.","ieee":"D. R. Baykusheva, S. Brennecke, M. Lein, and H. J. Wörner, “Signatures of electronic structure in bicircular high-harmonic spectroscopy,” Physical Review Letters, vol. 119, no. 20. American Physical Society, 2017.","ista":"Baykusheva DR, Brennecke S, Lein M, Wörner HJ. 2017. Signatures of electronic structure in bicircular high-harmonic spectroscopy. Physical Review Letters. 119(20), 203201.","mla":"Baykusheva, Denitsa Rangelova, et al. “Signatures of Electronic Structure in Bicircular High-Harmonic Spectroscopy.” Physical Review Letters, vol. 119, no. 20, 203201, American Physical Society, 2017, doi:10.1103/physrevlett.119.203201.","short":"D.R. Baykusheva, S. Brennecke, M. Lein, H.J. Wörner, Physical Review Letters 119 (2017).","ama":"Baykusheva DR, Brennecke S, Lein M, Wörner HJ. Signatures of electronic structure in bicircular high-harmonic spectroscopy. Physical Review Letters. 2017;119(20). doi:10.1103/physrevlett.119.203201","apa":"Baykusheva, D. R., Brennecke, S., Lein, M., & Wörner, H. J. (2017). Signatures of electronic structure in bicircular high-harmonic spectroscopy. Physical Review Letters. American Physical Society. https://doi.org/10.1103/physrevlett.119.203201"},"title":"Signatures of electronic structure in bicircular high-harmonic spectroscopy","keyword":["General Physics and Astronomy"],"language":[{"iso":"eng"}],"doi":"10.1103/physrevlett.119.203201","pmid":1,"month":"11","extern":"1","date_created":"2023-08-10T06:48:12Z","publication":"Physical Review Letters","quality_controlled":"1","intvolume":" 119","status":"public","publisher":"American Physical Society"},{"publisher":"Springer Nature","intvolume":" 7","status":"public","publication":"Nature Communications","quality_controlled":"1","date_created":"2022-04-07T07:48:34Z","month":"12","extern":"1","related_material":{"link":[{"relation":"erratum","url":"https://doi.org/10.1038/ncomms16030"}]},"pmid":1,"doi":"10.1038/ncomms13874","keyword":["General Physics and Astronomy","General Biochemistry","Genetics and Molecular Biology","General Chemistry"],"language":[{"iso":"eng"}],"title":"p120-catenin prevents multinucleation through control of MKLP1-dependent RhoA activity during cytokinesis","citation":{"ista":"van de Ven RAH, de Groot JS, Park D, van Domselaar R, de Jong D, Szuhai K, van der Wall E, Rueda OM, Ali HR, Caldas C, van Diest PJ, Hetzer M, Sahai E, Derksen PWB. 2016. p120-catenin prevents multinucleation through control of MKLP1-dependent RhoA activity during cytokinesis. Nature Communications. 7, 13874.","ieee":"R. A. H. van de Ven et al., “p120-catenin prevents multinucleation through control of MKLP1-dependent RhoA activity during cytokinesis,” Nature Communications, vol. 7. Springer Nature, 2016.","chicago":"Ven, Robert A.H. van de, Jolien S. de Groot, Danielle Park, Robert van Domselaar, Danielle de Jong, Karoly Szuhai, Elsken van der Wall, et al. “P120-Catenin Prevents Multinucleation through Control of MKLP1-Dependent RhoA Activity during Cytokinesis.” Nature Communications. Springer Nature, 2016. https://doi.org/10.1038/ncomms13874.","mla":"van de Ven, Robert A. H., et al. “P120-Catenin Prevents Multinucleation through Control of MKLP1-Dependent RhoA Activity during Cytokinesis.” Nature Communications, vol. 7, 13874, Springer Nature, 2016, doi:10.1038/ncomms13874.","short":"R.A.H. van de Ven, J.S. de Groot, D. Park, R. van Domselaar, D. de Jong, K. Szuhai, E. van der Wall, O.M. Rueda, H.R. Ali, C. Caldas, P.J. van Diest, M. Hetzer, E. Sahai, P.W.B. Derksen, Nature Communications 7 (2016).","apa":"van de Ven, R. A. H., de Groot, J. S., Park, D., van Domselaar, R., de Jong, D., Szuhai, K., … Derksen, P. W. B. (2016). p120-catenin prevents multinucleation through control of MKLP1-dependent RhoA activity during cytokinesis. Nature Communications. Springer Nature. https://doi.org/10.1038/ncomms13874","ama":"van de Ven RAH, de Groot JS, Park D, et al. p120-catenin prevents multinucleation through control of MKLP1-dependent RhoA activity during cytokinesis. Nature Communications. 2016;7. doi:10.1038/ncomms13874"},"type":"journal_article","author":[{"last_name":"van de Ven","first_name":"Robert A.H.","full_name":"van de Ven, Robert A.H."},{"last_name":"de Groot","full_name":"de Groot, Jolien S.","first_name":"Jolien S."},{"first_name":"Danielle","full_name":"Park, Danielle","last_name":"Park"},{"last_name":"van Domselaar","full_name":"van Domselaar, Robert","first_name":"Robert"},{"last_name":"de Jong","full_name":"de Jong, Danielle","first_name":"Danielle"},{"last_name":"Szuhai","first_name":"Karoly","full_name":"Szuhai, Karoly"},{"last_name":"van der Wall","first_name":"Elsken","full_name":"van der Wall, Elsken"},{"first_name":"Oscar M.","full_name":"Rueda, Oscar M.","last_name":"Rueda"},{"full_name":"Ali, H. Raza","first_name":"H. Raza","last_name":"Ali"},{"last_name":"Caldas","full_name":"Caldas, Carlos","first_name":"Carlos"},{"last_name":"van Diest","first_name":"Paul J.","full_name":"van Diest, Paul J."},{"orcid":"0000-0002-2111-992X","id":"86c0d31b-b4eb-11ec-ac5a-eae7b2e135ed","last_name":"HETZER","full_name":"HETZER, Martin W","first_name":"Martin W"},{"full_name":"Sahai, Erik","first_name":"Erik","last_name":"Sahai"},{"last_name":"Derksen","first_name":"Patrick W.B.","full_name":"Derksen, Patrick W.B."}],"day":"22","main_file_link":[{"url":"https://doi.org/10.1038/ncomms13874","open_access":"1"}],"oa":1,"publication_status":"published","volume":7,"article_processing_charge":"No","date_published":"2016-12-22T00:00:00Z","_id":"11072","abstract":[{"lang":"eng","text":"Spatiotemporal activation of RhoA and actomyosin contraction underpins cellular adhesion and division. Loss of cell–cell adhesion and chromosomal instability are cardinal events that drive tumour progression. Here, we show that p120-catenin (p120) not only controls cell–cell adhesion, but also acts as a critical regulator of cytokinesis. We find that p120 regulates actomyosin contractility through concomitant binding to RhoA and the centralspindlin component MKLP1, independent of cadherin association. In anaphase, p120 is enriched at the cleavage furrow where it binds MKLP1 to spatially control RhoA GTPase cycling. Binding of p120 to MKLP1 during cytokinesis depends on the N-terminal coiled-coil domain of p120 isoform 1A. Importantly, clinical data show that loss of p120 expression is a common event in breast cancer that strongly correlates with multinucleation and adverse patient survival. In summary, our study identifies p120 loss as a driver event of chromosomal instability in cancer.\r\n"}],"article_number":"13874","publication_identifier":{"issn":["2041-1723"]},"scopus_import":"1","external_id":{"pmid":["28004812"]},"user_id":"72615eeb-f1f3-11ec-aa25-d4573ddc34fd","date_updated":"2022-07-18T08:34:32Z","year":"2016","oa_version":"Published Version","article_type":"original"},{"pmid":1,"doi":"10.1103/physrevlett.117.093001","keyword":["General Physics and Astronomy"],"language":[{"iso":"eng"}],"title":"Attosecond delays in molecular photoionization","citation":{"mla":"Huppert, Martin, et al. “Attosecond Delays in Molecular Photoionization.” Physical Review Letters, vol. 117, no. 9, 093001, American Physical Society, 2016, doi:10.1103/physrevlett.117.093001.","ieee":"M. Huppert, I. Jordan, D. R. Baykusheva, A. von Conta, and H. J. Wörner, “Attosecond delays in molecular photoionization,” Physical Review Letters, vol. 117, no. 9. American Physical Society, 2016.","ista":"Huppert M, Jordan I, Baykusheva DR, von Conta A, Wörner HJ. 2016. Attosecond delays in molecular photoionization. Physical Review Letters. 117(9), 093001.","chicago":"Huppert, Martin, Inga Jordan, Denitsa Rangelova Baykusheva, Aaron von Conta, and Hans Jakob Wörner. “Attosecond Delays in Molecular Photoionization.” Physical Review Letters. American Physical Society, 2016. https://doi.org/10.1103/physrevlett.117.093001.","apa":"Huppert, M., Jordan, I., Baykusheva, D. R., von Conta, A., & Wörner, H. J. (2016). Attosecond delays in molecular photoionization. Physical Review Letters. American Physical Society. https://doi.org/10.1103/physrevlett.117.093001","ama":"Huppert M, Jordan I, Baykusheva DR, von Conta A, Wörner HJ. Attosecond delays in molecular photoionization. Physical Review Letters. 2016;117(9). doi:10.1103/physrevlett.117.093001","short":"M. Huppert, I. Jordan, D.R. Baykusheva, A. von Conta, H.J. Wörner, Physical Review Letters 117 (2016)."},"author":[{"first_name":"Martin","full_name":"Huppert, Martin","last_name":"Huppert"},{"first_name":"Inga","full_name":"Jordan, Inga","last_name":"Jordan"},{"id":"71b4d059-2a03-11ee-914d-dfa3beed6530","last_name":"Baykusheva","full_name":"Baykusheva, Denitsa Rangelova","first_name":"Denitsa Rangelova"},{"last_name":"von Conta","full_name":"von Conta, Aaron","first_name":"Aaron"},{"full_name":"Wörner, Hans Jakob","first_name":"Hans Jakob","last_name":"Wörner"}],"type":"journal_article","day":"26","publisher":"American Physical Society","intvolume":" 117","status":"public","publication":"Physical Review Letters","quality_controlled":"1","date_created":"2023-08-10T06:37:07Z","month":"08","extern":"1","publication_identifier":{"issn":["0031-9007"],"eissn":["1079-7114"]},"external_id":{"arxiv":["1607.07435"],"pmid":["27610849"]},"scopus_import":"1","date_updated":"2023-08-22T08:42:50Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","year":"2016","oa_version":"Preprint","article_type":"original","oa":1,"main_file_link":[{"url":"https://arxiv.org/abs/1607.07435","open_access":"1"}],"publication_status":"published","volume":117,"article_processing_charge":"No","issue":"9","arxiv":1,"abstract":[{"text":"We report measurements of energy-dependent attosecond photoionization delays between the two outer-most valence shells of N2O and H2O. The combination of single-shot signal referencing with the use of different metal foils to filter the attosecond pulse train enables us to extract delays from congested spectra. Remarkably large delays up to 160 as are observed in N2O, whereas the delays in H2O are all smaller than 50 as in the photon-energy range of 20-40 eV. These results are interpreted by developing a theory of molecular photoionization delays. The long delays measured in N2O are shown to reflect the population of molecular shape resonances that trap the photoelectron for a duration of up to ∼110 as. The unstructured continua of H2O result in much smaller delays at the same photon energies. Our experimental and theoretical methods make the study of molecular attosecond photoionization dynamics accessible.","lang":"eng"}],"_id":"14010","date_published":"2016-08-26T00:00:00Z","article_number":"093001"},{"article_type":"original","year":"2016","oa_version":"None","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2023-08-22T08:44:10Z","scopus_import":"1","external_id":{"pmid":["27058077"]},"publication_identifier":{"issn":["0031-9007"],"eissn":["1079-7114"]},"article_number":"123001","_id":"14011","abstract":[{"lang":"eng","text":"We introduce bicircular high-harmonic spectroscopy as a new method to probe dynamical symmetries of atoms and molecules and their evolution in time. Our approach is based on combining a circularly polarized femtosecond fundamental field of frequency ω with its counterrotating second harmonic 2ω. We demonstrate the ability of bicircular high-harmonic spectroscopy to characterize the orbital angular momentum symmetry of atomic orbitals. We further show that breaking the threefold rotational symmetry of the generating medium-at the level of either the ensemble or that of a single molecule-results in the emission of the otherwise parity-forbidden frequencies 3qω (q∈N), which provide a background-free probe of dynamical molecular symmetries."}],"date_published":"2016-03-25T00:00:00Z","issue":"12","article_processing_charge":"No","volume":116,"publication_status":"published","day":"25","author":[{"last_name":"Baykusheva","full_name":"Baykusheva, Denitsa Rangelova","first_name":"Denitsa Rangelova","id":"71b4d059-2a03-11ee-914d-dfa3beed6530"},{"last_name":"Ahsan","full_name":"Ahsan, Md Sabbir","first_name":"Md Sabbir"},{"last_name":"Lin","first_name":"Nan","full_name":"Lin, Nan"},{"last_name":"Wörner","first_name":"Hans Jakob","full_name":"Wörner, Hans Jakob"}],"type":"journal_article","citation":{"ista":"Baykusheva DR, Ahsan MS, Lin N, Wörner HJ. 2016. Bicircular high-harmonic spectroscopy reveals dynamical symmetries of atoms and molecules. Physical Review Letters. 116(12), 123001.","ieee":"D. R. Baykusheva, M. S. Ahsan, N. Lin, and H. J. Wörner, “Bicircular high-harmonic spectroscopy reveals dynamical symmetries of atoms and molecules,” Physical Review Letters, vol. 116, no. 12. American Physical Society, 2016.","chicago":"Baykusheva, Denitsa Rangelova, Md Sabbir Ahsan, Nan Lin, and Hans Jakob Wörner. “Bicircular High-Harmonic Spectroscopy Reveals Dynamical Symmetries of Atoms and Molecules.” Physical Review Letters. American Physical Society, 2016. https://doi.org/10.1103/physrevlett.116.123001.","mla":"Baykusheva, Denitsa Rangelova, et al. “Bicircular High-Harmonic Spectroscopy Reveals Dynamical Symmetries of Atoms and Molecules.” Physical Review Letters, vol. 116, no. 12, 123001, American Physical Society, 2016, doi:10.1103/physrevlett.116.123001.","short":"D.R. Baykusheva, M.S. Ahsan, N. Lin, H.J. Wörner, Physical Review Letters 116 (2016).","apa":"Baykusheva, D. R., Ahsan, M. S., Lin, N., & Wörner, H. J. (2016). Bicircular high-harmonic spectroscopy reveals dynamical symmetries of atoms and molecules. Physical Review Letters. American Physical Society. https://doi.org/10.1103/physrevlett.116.123001","ama":"Baykusheva DR, Ahsan MS, Lin N, Wörner HJ. Bicircular high-harmonic spectroscopy reveals dynamical symmetries of atoms and molecules. Physical Review Letters. 2016;116(12). doi:10.1103/physrevlett.116.123001"},"title":"Bicircular high-harmonic spectroscopy reveals dynamical symmetries of atoms and molecules","language":[{"iso":"eng"}],"keyword":["General Physics and Astronomy"],"doi":"10.1103/physrevlett.116.123001","pmid":1,"extern":"1","month":"03","date_created":"2023-08-10T06:37:16Z","quality_controlled":"1","publication":"Physical Review Letters","intvolume":" 116","status":"public","publisher":"American Physical Society"},{"publisher":"American Institute of Physics","status":"public","intvolume":" 145","publication":"The Journal of Chemical Physics","quality_controlled":"1","date_created":"2021-11-29T10:01:57Z","month":"12","extern":"1","pmid":1,"acknowledgement":"We acknowledge support from the Human Frontier Science Program and Emmanuel College (A.Š.), St John’s and Peterhouse Colleges (T.C.T.M.), the Swiss National Science Foundation (T.C.T.M.), the Biotechnology and Biological Sciences Research Council (T.P.J.K.), the Frances and Augustus Newman Foundation (T.P.J.K.), the European Research Council (T.C.T.M., T.P.J.K., and D.F.), and the Engineering and Physical Sciences Research Council (D.F.).","doi":"10.1063/1.4965040","keyword":["physical and theoretical chemistry","general physics and astronomy"],"language":[{"iso":"eng"}],"title":"Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation","citation":{"ista":"Šarić A, Michaels TCT, Zaccone A, Knowles TPJ, Frenkel D. 2016. Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation. The Journal of Chemical Physics. 145(21), 211926.","ieee":"A. Šarić, T. C. T. Michaels, A. Zaccone, T. P. J. Knowles, and D. Frenkel, “Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation,” The Journal of Chemical Physics, vol. 145, no. 21. American Institute of Physics, 2016.","chicago":"Šarić, Anđela, Thomas C. T. Michaels, Alessio Zaccone, Tuomas P. J. Knowles, and Daan Frenkel. “Kinetics of Spontaneous Filament Nucleation via Oligomers: Insights from Theory and Simulation.” The Journal of Chemical Physics. American Institute of Physics, 2016. https://doi.org/10.1063/1.4965040.","mla":"Šarić, Anđela, et al. “Kinetics of Spontaneous Filament Nucleation via Oligomers: Insights from Theory and Simulation.” The Journal of Chemical Physics, vol. 145, no. 21, 211926, American Institute of Physics, 2016, doi:10.1063/1.4965040.","short":"A. Šarić, T.C.T. Michaels, A. Zaccone, T.P.J. Knowles, D. Frenkel, The Journal of Chemical Physics 145 (2016).","apa":"Šarić, A., Michaels, T. C. T., Zaccone, A., Knowles, T. P. J., & Frenkel, D. (2016). Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation. The Journal of Chemical Physics. American Institute of Physics. https://doi.org/10.1063/1.4965040","ama":"Šarić A, Michaels TCT, Zaccone A, Knowles TPJ, Frenkel D. Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation. The Journal of Chemical Physics. 2016;145(21). doi:10.1063/1.4965040"},"type":"journal_article","author":[{"last_name":"Šarić","full_name":"Šarić, Anđela","first_name":"Anđela","id":"bf63d406-f056-11eb-b41d-f263a6566d8b","orcid":"0000-0002-7854-2139"},{"first_name":"Thomas C. T.","full_name":"Michaels, Thomas C. T.","last_name":"Michaels"},{"last_name":"Zaccone","full_name":"Zaccone, Alessio","first_name":"Alessio"},{"full_name":"Knowles, Tuomas P. J.","first_name":"Tuomas P. J.","last_name":"Knowles"},{"last_name":"Frenkel","full_name":"Frenkel, Daan","first_name":"Daan"}],"day":"01","oa":1,"main_file_link":[{"url":"https://arxiv.org/abs/1610.02320","open_access":"1"}],"publication_status":"published","volume":145,"article_processing_charge":"No","issue":"21","arxiv":1,"_id":"10376","abstract":[{"text":"Nucleation processes are at the heart of a large number of phenomena, from cloud formation to protein crystallization. A recently emerging area where nucleation is highly relevant is the initiation of filamentous protein self-assembly, a process that has broad implications in many research areas ranging from medicine to nanotechnology. As such, spontaneous nucleation of protein fibrils has received much attention in recent years with many theoretical and experimental studies focusing on the underlying physical principles. In this paper we make a step forward in this direction and explore the early time behaviour of filamentous protein growth in the context of nucleation theory. We first provide an overview of the thermodynamics and kinetics of spontaneous nucleation of protein filaments in the presence of one relevant degree of freedom, namely the cluster size. In this case, we review how key kinetic observables, such as the reaction order of spontaneous nucleation, are directly related to the physical size of the critical nucleus. We then focus on the increasingly prominent case of filament nucleation that includes a conformational conversion of the nucleating building-block as an additional slow step in the nucleation process. Using computer simulations, we study the concentration dependence of the nucleation rate. We find that, under these circumstances, the reaction order of spontaneous nucleation with respect to the free monomer does no longer relate to the overall physical size of the nucleating aggregate but rather to the portion of the aggregate that actively participates in the conformational conversion. Our results thus provide a novel interpretation of the common kinetic descriptors of protein filament formation, including the reaction order of the nucleation step or the scaling exponent of lag times, and put into perspective current theoretical descriptions of protein aggregation.","lang":"eng"}],"date_published":"2016-12-01T00:00:00Z","article_number":"211926","publication_identifier":{"issn":["0021-9606"],"eissn":["1089-7690"]},"scopus_import":"1","external_id":{"pmid":["28799382"],"arxiv":["1610.02320"]},"user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","date_updated":"2021-11-29T10:33:11Z","year":"2016","oa_version":"Preprint","article_type":"original"},{"_id":"10378","abstract":[{"text":"The ability of biological molecules to replicate themselves is the foundation of life, requiring a complex cellular machinery. However, a range of aberrant processes involve the self-replication of pathological protein structures without any additional assistance. One example is the autocatalytic generation of pathological protein aggregates, including amyloid fibrils, involved in neurodegenerative disorders. Here, we use computer simulations to identify the necessary requirements for the self-replication of fibrillar assemblies of proteins. We establish that a key physical determinant for this process is the affinity of proteins for the surfaces of fibrils. We find that self-replication can take place only in a very narrow regime of inter-protein interactions, implying a high level of sensitivity to system parameters and experimental conditions. We then compare our theoretical predictions with kinetic and biosensor measurements of fibrils formed from the Aβ peptide associated with Alzheimer’s disease. Our results show a quantitative connection between the kinetics of self-replication and the surface coverage of fibrils by monomeric proteins. These findings reveal the fundamental physical requirements for the formation of supra-molecular structures able to replicate themselves, and shed light on mechanisms in play in the proliferation of protein aggregates in nature.","lang":"eng"}],"date_published":"2016-07-18T00:00:00Z","article_processing_charge":"No","issue":"9","volume":12,"publication_status":"published","oa":1,"main_file_link":[{"url":"https://discovery.ucl.ac.uk/id/eprint/1517406/","open_access":"1"}],"article_type":"original","year":"2016","oa_version":"Preprint","external_id":{"pmid":["31031819"]},"scopus_import":"1","user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","date_updated":"2021-11-29T11:07:25Z","publication_identifier":{"eissn":["1745-2481"],"issn":["1745-2473"]},"month":"07","extern":"1","date_created":"2021-11-29T10:36:11Z","page":"874-880","publication":"Nature Physics","quality_controlled":"1","intvolume":" 12","status":"public","publisher":"Springer Nature","day":"18","type":"journal_article","author":[{"id":"bf63d406-f056-11eb-b41d-f263a6566d8b","orcid":"0000-0002-7854-2139","full_name":"Šarić, Anđela","first_name":"Anđela","last_name":"Šarić"},{"last_name":"Buell","first_name":"Alexander K.","full_name":"Buell, Alexander K."},{"first_name":"Georg","full_name":"Meisl, Georg","last_name":"Meisl"},{"last_name":"Michaels","full_name":"Michaels, Thomas C. T.","first_name":"Thomas C. T."},{"last_name":"Dobson","full_name":"Dobson, Christopher M.","first_name":"Christopher M."},{"last_name":"Linse","full_name":"Linse, Sara","first_name":"Sara"},{"full_name":"Knowles, Tuomas P. J.","first_name":"Tuomas P. J.","last_name":"Knowles"},{"first_name":"Daan","full_name":"Frenkel, Daan","last_name":"Frenkel"}],"citation":{"ama":"Šarić A, Buell AK, Meisl G, et al. Physical determinants of the self-replication of protein fibrils. Nature Physics. 2016;12(9):874-880. doi:10.1038/nphys3828","apa":"Šarić, A., Buell, A. K., Meisl, G., Michaels, T. C. T., Dobson, C. M., Linse, S., … Frenkel, D. (2016). Physical determinants of the self-replication of protein fibrils. Nature Physics. Springer Nature. https://doi.org/10.1038/nphys3828","short":"A. Šarić, A.K. Buell, G. Meisl, T.C.T. Michaels, C.M. Dobson, S. Linse, T.P.J. Knowles, D. Frenkel, Nature Physics 12 (2016) 874–880.","mla":"Šarić, Anđela, et al. “Physical Determinants of the Self-Replication of Protein Fibrils.” Nature Physics, vol. 12, no. 9, Springer Nature, 2016, pp. 874–80, doi:10.1038/nphys3828.","chicago":"Šarić, Anđela, Alexander K. Buell, Georg Meisl, Thomas C. T. Michaels, Christopher M. Dobson, Sara Linse, Tuomas P. J. Knowles, and Daan Frenkel. “Physical Determinants of the Self-Replication of Protein Fibrils.” Nature Physics. Springer Nature, 2016. https://doi.org/10.1038/nphys3828.","ista":"Šarić A, Buell AK, Meisl G, Michaels TCT, Dobson CM, Linse S, Knowles TPJ, Frenkel D. 2016. Physical determinants of the self-replication of protein fibrils. Nature Physics. 12(9), 874–880.","ieee":"A. Šarić et al., “Physical determinants of the self-replication of protein fibrils,” Nature Physics, vol. 12, no. 9. Springer Nature, pp. 874–880, 2016."},"title":"Physical determinants of the self-replication of protein fibrils","keyword":["general physics and astronomy"],"language":[{"iso":"eng"}],"doi":"10.1038/nphys3828","pmid":1,"acknowledgement":"We acknowledge support from the Human Frontier Science Program and Emmanuel College (A.Š.), the Leverhulme Trust and Magdalene College (A.K.B.), St John’s College (T.C.T.M.), the Biotechnology and Biological Sciences Research Council (T.P.J.K. and C.M.D.), the Frances and Augustus Newman Foundation (T.P.J.K.), the European Research Council (T.P.J.K., T.C.T.M., S.L. and D.F.), and the Engineering and Physical Sciences Research Council (D.F.)."},{"volume":144,"oa":1,"main_file_link":[{"url":"https://arxiv.org/abs/1602.02734","open_access":"1"}],"publication_status":"published","_id":"10380","abstract":[{"lang":"eng","text":"Using non-equilibrium molecular dynamics simulations, it has been recently demonstrated that water molecules align in response to an imposed temperature gradient, resulting in an effective electric field. Here, we investigate how thermally induced fields depend on the underlying treatment of long-ranged interactions. For the short-ranged Wolf method and Ewald summation, we find the peak strength of the field to range between 2 × 107 and 5 × 107 V/m for a temperature gradient of 5.2 K/Å. Our value for the Wolf method is therefore an order of magnitude lower than the literature value [J. A. Armstrong and F. Bresme, J. Chem. Phys. 139, 014504 (2013); J. Armstrong et al., J. Chem. Phys. 143, 036101 (2015)]. We show that this discrepancy can be traced back to the use of an incorrect kernel in the calculation of the electrostatic field. More seriously, we find that the Wolf method fails to predict correct molecular orientations, resulting in dipole densities with opposite sign to those computed using Ewald summation. By considering two different multipole expansions, we show that, for inhomogeneous polarisations, the quadrupole contribution can be significant and even outweigh the dipole contribution to the field. Finally, we propose a more accurate way of calculating the electrostatic potential and the field. In particular, we show that averaging the microscopic field analytically to obtain the macroscopic Maxwell field reduces the error bars by up to an order of magnitude. As a consequence, the simulation times required to reach a given statistical accuracy decrease by up to two orders of magnitude."}],"date_published":"2016-06-10T00:00:00Z","article_number":"224102","issue":"22","article_processing_charge":"No","arxiv":1,"publication_identifier":{"eissn":["1089-7690"],"issn":["0021-9606"]},"user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","date_updated":"2021-11-29T13:09:08Z","scopus_import":"1","external_id":{"arxiv":["1602.02734"],"pmid":["27305991"]},"oa_version":"Preprint","year":"2016","article_type":"original","intvolume":" 144","status":"public","quality_controlled":"1","publication":"The Journal of Chemical Physics","publisher":"American Institute of Physics","date_created":"2021-11-29T11:08:52Z","extern":"1","month":"06","doi":"10.1063/1.4953036","language":[{"iso":"eng"}],"keyword":["physical and theoretical chemistry","general physics and astronomy"],"acknowledgement":"The authors should like to dedicate this paper to the memory of Simon de Leeuw, who was a pioneer in the calculation of Coulomb effects in simulations. P.W. would like to thank the Austrian Academy of Sciences for financial support through a DOC Fellowship, and for covering the travel expenses for the CECAM workshop in Zaragoza in May 2015, where these results were first presented. P.W. would also like to thank Chao Zhang for pointing out the equivalence of the two expressions for the electric field discussed in Sec. VI D, Michiel Sprik for emphasising the importance of the quadrupole contribution in experimental studies of interfacial systems, as well as Aleks Reinhardt and other members of the Frenkel and Dellago groups for their advice. We further acknowledge support from the Federation of Austrian Industry (IV) Carinthia (P.W.), the University of Zagreb and Erasmus SMP (D. Fijan), the Human Frontier Science Program and Emmanuel College (A.Š.), the Austrian Science Fund FWF within the SFB Vicom project F41 (C.D.), and the Engineering and Physical Sciences Research Council Programme Grant No. EP/I001352/1 (D.F.). Additional data related to this publication are available at the University of Cambridge data repository (http://dx.doi.org/10.17863/CAM.118).","pmid":1,"type":"journal_article","author":[{"first_name":"P.","full_name":"Wirnsberger, P.","last_name":"Wirnsberger"},{"first_name":"D.","full_name":"Fijan, D.","last_name":"Fijan"},{"last_name":"Šarić","full_name":"Šarić, Anđela","first_name":"Anđela","orcid":"0000-0002-7854-2139","id":"bf63d406-f056-11eb-b41d-f263a6566d8b"},{"full_name":"Neumann, M.","first_name":"M.","last_name":"Neumann"},{"first_name":"C.","full_name":"Dellago, C.","last_name":"Dellago"},{"full_name":"Frenkel, D.","first_name":"D.","last_name":"Frenkel"}],"day":"10","title":"Non-equilibrium simulations of thermally induced electric fields in water","citation":{"chicago":"Wirnsberger, P., D. Fijan, Anđela Šarić, M. Neumann, C. Dellago, and D. Frenkel. “Non-Equilibrium Simulations of Thermally Induced Electric Fields in Water.” The Journal of Chemical Physics. American Institute of Physics, 2016. https://doi.org/10.1063/1.4953036.","ieee":"P. Wirnsberger, D. Fijan, A. Šarić, M. Neumann, C. Dellago, and D. Frenkel, “Non-equilibrium simulations of thermally induced electric fields in water,” The Journal of Chemical Physics, vol. 144, no. 22. American Institute of Physics, 2016.","ista":"Wirnsberger P, Fijan D, Šarić A, Neumann M, Dellago C, Frenkel D. 2016. Non-equilibrium simulations of thermally induced electric fields in water. The Journal of Chemical Physics. 144(22), 224102.","mla":"Wirnsberger, P., et al. “Non-Equilibrium Simulations of Thermally Induced Electric Fields in Water.” The Journal of Chemical Physics, vol. 144, no. 22, 224102, American Institute of Physics, 2016, doi:10.1063/1.4953036.","short":"P. Wirnsberger, D. Fijan, A. Šarić, M. Neumann, C. Dellago, D. Frenkel, The Journal of Chemical Physics 144 (2016).","ama":"Wirnsberger P, Fijan D, Šarić A, Neumann M, Dellago C, Frenkel D. Non-equilibrium simulations of thermally induced electric fields in water. The Journal of Chemical Physics. 2016;144(22). doi:10.1063/1.4953036","apa":"Wirnsberger, P., Fijan, D., Šarić, A., Neumann, M., Dellago, C., & Frenkel, D. (2016). Non-equilibrium simulations of thermally induced electric fields in water. The Journal of Chemical Physics. American Institute of Physics. https://doi.org/10.1063/1.4953036"}},{"article_type":"original","day":"05","author":[{"last_name":"Ma","full_name":"Ma, Peixiang","first_name":"Peixiang"},{"first_name":"Yi","full_name":"Xue, Yi","last_name":"Xue"},{"first_name":"Nicolas","full_name":"Coquelle, Nicolas","last_name":"Coquelle"},{"last_name":"Haller","first_name":"Jens D.","full_name":"Haller, Jens D."},{"last_name":"Yuwen","first_name":"Tairan","full_name":"Yuwen, Tairan"},{"first_name":"Isabel","full_name":"Ayala, Isabel","last_name":"Ayala"},{"last_name":"Mikhailovskii","first_name":"Oleg","full_name":"Mikhailovskii, Oleg"},{"last_name":"Willbold","full_name":"Willbold, Dieter","first_name":"Dieter"},{"first_name":"Jacques-Philippe","full_name":"Colletier, Jacques-Philippe","last_name":"Colletier"},{"last_name":"Skrynnikov","first_name":"Nikolai R.","full_name":"Skrynnikov, Nikolai R."},{"first_name":"Paul","full_name":"Schanda, Paul","last_name":"Schanda","id":"7B541462-FAF6-11E9-A490-E8DFE5697425","orcid":"0000-0002-9350-7606"}],"type":"journal_article","oa_version":"Published Version","year":"2015","citation":{"ama":"Ma P, Xue Y, Coquelle N, et al. Observing the overall rocking motion of a protein in a crystal. Nature Communications. 2015;6. doi:10.1038/ncomms9361","apa":"Ma, P., Xue, Y., Coquelle, N., Haller, J. D., Yuwen, T., Ayala, I., … Schanda, P. (2015). Observing the overall rocking motion of a protein in a crystal. Nature Communications. Springer Nature. https://doi.org/10.1038/ncomms9361","short":"P. Ma, Y. Xue, N. Coquelle, J.D. Haller, T. Yuwen, I. Ayala, O. Mikhailovskii, D. Willbold, J.-P. Colletier, N.R. Skrynnikov, P. Schanda, Nature Communications 6 (2015).","mla":"Ma, Peixiang, et al. “Observing the Overall Rocking Motion of a Protein in a Crystal.” Nature Communications, vol. 6, 8361, Springer Nature, 2015, doi:10.1038/ncomms9361.","chicago":"Ma, Peixiang, Yi Xue, Nicolas Coquelle, Jens D. Haller, Tairan Yuwen, Isabel Ayala, Oleg Mikhailovskii, et al. “Observing the Overall Rocking Motion of a Protein in a Crystal.” Nature Communications. Springer Nature, 2015. https://doi.org/10.1038/ncomms9361.","ista":"Ma P, Xue Y, Coquelle N, Haller JD, Yuwen T, Ayala I, Mikhailovskii O, Willbold D, Colletier J-P, Skrynnikov NR, Schanda P. 2015. Observing the overall rocking motion of a protein in a crystal. Nature Communications. 6, 8361.","ieee":"P. Ma et al., “Observing the overall rocking motion of a protein in a crystal,” Nature Communications, vol. 6. Springer Nature, 2015."},"title":"Observing the overall rocking motion of a protein in a crystal","keyword":["General Biochemistry","Genetics and Molecular Biology","General Physics and Astronomy","General Chemistry"],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2021-01-12T08:19:24Z","language":[{"iso":"eng"}],"publication_identifier":{"issn":["2041-1723"]},"doi":"10.1038/ncomms9361","month":"10","article_number":"8361","extern":"1","_id":"8456","abstract":[{"text":"The large majority of three-dimensional structures of biological macromolecules have been determined by X-ray diffraction of crystalline samples. High-resolution structure determination crucially depends on the homogeneity of the protein crystal. Overall ‘rocking’ motion of molecules in the crystal is expected to influence diffraction quality, and such motion may therefore affect the process of solving crystal structures. Yet, so far overall molecular motion has not directly been observed in protein crystals, and the timescale of such dynamics remains unclear. Here we use solid-state NMR, X-ray diffraction methods and μs-long molecular dynamics simulations to directly characterize the rigid-body motion of a protein in different crystal forms. For ubiquitin crystals investigated in this study we determine the range of possible correlation times of rocking motion, 0.1–100 μs. The amplitude of rocking varies from one crystal form to another and is correlated with the resolution obtainable in X-ray diffraction experiments.","lang":"eng"}],"date_created":"2020-09-18T10:07:36Z","date_published":"2015-10-05T00:00:00Z","article_processing_charge":"No","publication":"Nature Communications","quality_controlled":"1","status":"public","intvolume":" 6","volume":6,"publication_status":"published","publisher":"Springer Nature"},{"publication_status":"published","publisher":"IOP Publishing","status":"public","intvolume":" 28","volume":28,"publication":"Nonlinearity","quality_controlled":"1","article_processing_charge":"No","issue":"8","page":"2699-2720","date_published":"2015-06-30T00:00:00Z","_id":"8498","abstract":[{"text":"In the present note we announce a proof of a strong form of Arnold diffusion for smooth convex Hamiltonian systems. Let ${\\mathbb T}^2$ be a 2-dimensional torus and B2 be the unit ball around the origin in ${\\mathbb R}^2$ . Fix ρ > 0. Our main result says that for a 'generic' time-periodic perturbation of an integrable system of two degrees of freedom $H_0(p)+\\varepsilon H_1(\\theta,p,t),\\quad \\ \\theta\\in {\\mathbb T}^2,\\ p\\in B^2,\\ t\\in {\\mathbb T}={\\mathbb R}/{\\mathbb Z}$ , with a strictly convex H0, there exists a ρ-dense orbit (θε, pε, t)(t) in ${\\mathbb T}^2 \\times B^2 \\times {\\mathbb T}$ , namely, a ρ-neighborhood of the orbit contains ${\\mathbb T}^2 \\times B^2 \\times {\\mathbb T}$ .\r\n\r\nOur proof is a combination of geometric and variational methods. The fundamental elements of the construction are the usage of crumpled normally hyperbolic invariant cylinders from [9], flower and simple normally hyperbolic invariant manifolds from [36] as well as their kissing property at a strong double resonance. This allows us to build a 'connected' net of three-dimensional normally hyperbolic invariant manifolds. To construct diffusing orbits along this net we employ a version of the Mather variational method [41] equipped with weak KAM theory [28], proposed by Bernard in [7].","lang":"eng"}],"date_created":"2020-09-18T10:46:43Z","month":"06","extern":"1","publication_identifier":{"issn":["0951-7715","1361-6544"]},"doi":"10.1088/0951-7715/28/8/2699","keyword":["Mathematical Physics","General Physics and Astronomy","Applied Mathematics","Statistical and Nonlinear Physics"],"date_updated":"2021-01-12T08:19:41Z","language":[{"iso":"eng"}],"user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","title":"Arnold diffusion for smooth convex systems of two and a half degrees of freedom","citation":{"chicago":"Kaloshin, Vadim, and K Zhang. “Arnold Diffusion for Smooth Convex Systems of Two and a Half Degrees of Freedom.” Nonlinearity. IOP Publishing, 2015. https://doi.org/10.1088/0951-7715/28/8/2699.","ieee":"V. Kaloshin and K. Zhang, “Arnold diffusion for smooth convex systems of two and a half degrees of freedom,” Nonlinearity, vol. 28, no. 8. IOP Publishing, pp. 2699–2720, 2015.","ista":"Kaloshin V, Zhang K. 2015. Arnold diffusion for smooth convex systems of two and a half degrees of freedom. Nonlinearity. 28(8), 2699–2720.","mla":"Kaloshin, Vadim, and K. Zhang. “Arnold Diffusion for Smooth Convex Systems of Two and a Half Degrees of Freedom.” Nonlinearity, vol. 28, no. 8, IOP Publishing, 2015, pp. 2699–720, doi:10.1088/0951-7715/28/8/2699.","short":"V. Kaloshin, K. Zhang, Nonlinearity 28 (2015) 2699–2720.","ama":"Kaloshin V, Zhang K. Arnold diffusion for smooth convex systems of two and a half degrees of freedom. Nonlinearity. 2015;28(8):2699-2720. doi:10.1088/0951-7715/28/8/2699","apa":"Kaloshin, V., & Zhang, K. (2015). Arnold diffusion for smooth convex systems of two and a half degrees of freedom. Nonlinearity. IOP Publishing. https://doi.org/10.1088/0951-7715/28/8/2699"},"author":[{"last_name":"Kaloshin","full_name":"Kaloshin, Vadim","first_name":"Vadim","id":"FE553552-CDE8-11E9-B324-C0EBE5697425","orcid":"0000-0002-6051-2628"},{"last_name":"Zhang","first_name":"K","full_name":"Zhang, K"}],"type":"journal_article","oa_version":"None","year":"2015","article_type":"original","day":"30"},{"month":"11","extern":"1","date_created":"2023-08-10T06:37:44Z","publication":"Journal of Physics: Conference Series","quality_controlled":"1","intvolume":" 635","status":"public","publisher":"IOP Publishing","day":"01","type":"journal_article","author":[{"first_name":"Samuel G","full_name":"Walt, Samuel G","last_name":"Walt"},{"last_name":"Ram","full_name":"Ram, N Bhargava","first_name":"N Bhargava"},{"first_name":"Aaron","full_name":"von Conta, Aaron","last_name":"von Conta"},{"full_name":"Baykusheva, Denitsa Rangelova","first_name":"Denitsa Rangelova","last_name":"Baykusheva","id":"71b4d059-2a03-11ee-914d-dfa3beed6530"},{"last_name":"Atala","first_name":"Marcos","full_name":"Atala, Marcos"},{"first_name":"Hans Jakob","full_name":"Wörner, Hans Jakob","last_name":"Wörner"}],"citation":{"ieee":"S. G. Walt, N. B. Ram, A. von Conta, D. R. Baykusheva, M. Atala, and H. J. Wörner, “Resolving the dynamics of valence-shell electrons and nuclei through laser-induced diffraction and holography,” Journal of Physics: Conference Series, vol. 635, no. 11. IOP Publishing, 2015.","ista":"Walt SG, Ram NB, von Conta A, Baykusheva DR, Atala M, Wörner HJ. 2015. Resolving the dynamics of valence-shell electrons and nuclei through laser-induced diffraction and holography. Journal of Physics: Conference Series. 635(11), 112135.","chicago":"Walt, Samuel G, N Bhargava Ram, Aaron von Conta, Denitsa Rangelova Baykusheva, Marcos Atala, and Hans Jakob Wörner. “Resolving the Dynamics of Valence-Shell Electrons and Nuclei through Laser-Induced Diffraction and Holography.” Journal of Physics: Conference Series. IOP Publishing, 2015. https://doi.org/10.1088/1742-6596/635/11/112135.","mla":"Walt, Samuel G., et al. “Resolving the Dynamics of Valence-Shell Electrons and Nuclei through Laser-Induced Diffraction and Holography.” Journal of Physics: Conference Series, vol. 635, no. 11, 112135, IOP Publishing, 2015, doi:10.1088/1742-6596/635/11/112135.","short":"S.G. Walt, N.B. Ram, A. von Conta, D.R. Baykusheva, M. Atala, H.J. Wörner, Journal of Physics: Conference Series 635 (2015).","apa":"Walt, S. G., Ram, N. B., von Conta, A., Baykusheva, D. R., Atala, M., & Wörner, H. J. (2015). Resolving the dynamics of valence-shell electrons and nuclei through laser-induced diffraction and holography. Journal of Physics: Conference Series. IOP Publishing. https://doi.org/10.1088/1742-6596/635/11/112135","ama":"Walt SG, Ram NB, von Conta A, Baykusheva DR, Atala M, Wörner HJ. Resolving the dynamics of valence-shell electrons and nuclei through laser-induced diffraction and holography. Journal of Physics: Conference Series. 2015;635(11). doi:10.1088/1742-6596/635/11/112135"},"title":"Resolving the dynamics of valence-shell electrons and nuclei through laser-induced diffraction and holography","keyword":["General Physics and Astronomy"],"language":[{"iso":"eng"}],"doi":"10.1088/1742-6596/635/11/112135","article_number":"112135","date_published":"2015-11-01T00:00:00Z","_id":"14014","abstract":[{"text":"We have studied a coupled electronic-nuclear wave packet in nitric oxide using time-resolved strong-field photoelectron holography and rescattering. We show that the electronic dynamics mainly appears in the holographic structures whereas nuclear motion strongly modulates the angular distribution of the rescattered photoelectrons.","lang":"eng"}],"article_processing_charge":"No","issue":"11","volume":635,"publication_status":"published","main_file_link":[{"open_access":"1","url":"https://doi.org/10.1088/1742-6596/635/11/112135"}],"oa":1,"article_type":"original","oa_version":"Published Version","year":"2015","scopus_import":"1","date_updated":"2023-08-22T08:51:33Z","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","publication_identifier":{"issn":["1742-6588"],"eissn":["1742-6596"]}},{"intvolume":" 635","status":"public","publication":"Journal of Physics: Conference Series","quality_controlled":"1","publisher":"IOP Publishing","date_created":"2023-08-10T06:37:53Z","month":"07","extern":"1","doi":"10.1088/1742-6596/635/11/112136","keyword":["General Physics and Astronomy"],"language":[{"iso":"eng"}],"type":"journal_article","author":[{"last_name":"Kraus","first_name":"P M","full_name":"Kraus, P M"},{"last_name":"Mignolet","full_name":"Mignolet, B","first_name":"B"},{"id":"71b4d059-2a03-11ee-914d-dfa3beed6530","last_name":"Baykusheva","full_name":"Baykusheva, Denitsa Rangelova","first_name":"Denitsa Rangelova"},{"first_name":"A","full_name":"Rupenyan, A","last_name":"Rupenyan"},{"last_name":"Horný","first_name":"L","full_name":"Horný, L"},{"first_name":"E F","full_name":"Penka, E F","last_name":"Penka"},{"first_name":"O I","full_name":"Tolstikhin, O I","last_name":"Tolstikhin"},{"last_name":"Schneider","full_name":"Schneider, J","first_name":"J"},{"last_name":"Jensen","first_name":"F","full_name":"Jensen, F"},{"last_name":"Madsen","full_name":"Madsen, L B","first_name":"L B"},{"full_name":"Bandrauk, A D","first_name":"A D","last_name":"Bandrauk"},{"last_name":"Remacle","first_name":"F","full_name":"Remacle, F"},{"full_name":"Wörner, H J","first_name":"H J","last_name":"Wörner"}],"day":"01","title":"Attosecond charge migration and its laser control","citation":{"short":"P.M. Kraus, B. Mignolet, D.R. Baykusheva, A. Rupenyan, L. Horný, E.F. Penka, O.I. Tolstikhin, J. Schneider, F. Jensen, L.B. Madsen, A.D. Bandrauk, F. Remacle, H.J. Wörner, Journal of Physics: Conference Series 635 (2015).","ama":"Kraus PM, Mignolet B, Baykusheva DR, et al. Attosecond charge migration and its laser control. Journal of Physics: Conference Series. 2015;635(11). doi:10.1088/1742-6596/635/11/112136","apa":"Kraus, P. M., Mignolet, B., Baykusheva, D. R., Rupenyan, A., Horný, L., Penka, E. F., … Wörner, H. J. (2015). Attosecond charge migration and its laser control. Journal of Physics: Conference Series. IOP Publishing. https://doi.org/10.1088/1742-6596/635/11/112136","chicago":"Kraus, P M, B Mignolet, Denitsa Rangelova Baykusheva, A Rupenyan, L Horný, E F Penka, O I Tolstikhin, et al. “Attosecond Charge Migration and Its Laser Control.” Journal of Physics: Conference Series. IOP Publishing, 2015. https://doi.org/10.1088/1742-6596/635/11/112136.","ieee":"P. M. Kraus et al., “Attosecond charge migration and its laser control,” Journal of Physics: Conference Series, vol. 635, no. 11. IOP Publishing, 2015.","ista":"Kraus PM, Mignolet B, Baykusheva DR, Rupenyan A, Horný L, Penka EF, Tolstikhin OI, Schneider J, Jensen F, Madsen LB, Bandrauk AD, Remacle F, Wörner HJ. 2015. Attosecond charge migration and its laser control. Journal of Physics: Conference Series. 635(11), 112136.","mla":"Kraus, P. M., et al. “Attosecond Charge Migration and Its Laser Control.” Journal of Physics: Conference Series, vol. 635, no. 11, 112136, IOP Publishing, 2015, doi:10.1088/1742-6596/635/11/112136."},"volume":635,"oa":1,"main_file_link":[{"url":"https://doi.org/10.1088/1742-6596/635/11/112136","open_access":"1"}],"publication_status":"published","abstract":[{"lang":"eng","text":"We advance high-harmonic spectroscopy to resolve molecular charge migration in time and space and simultaneously demonstrate extensive control over the process. A multidimensional approach enables us to reconstruct both quantum amplitudes and phases with a resolution of better than 100 attoseconds and to separately reconstruct field-free and laser- driven charge migration. Our techniques make charge migration in molecules measurable on the attosecond time scale and open new avenues for laser control of electronic primary processes."}],"_id":"14015","date_published":"2015-07-01T00:00:00Z","article_number":"112136","article_processing_charge":"No","issue":"11","publication_identifier":{"eissn":["1742-6596"],"issn":["1742-6588"]},"scopus_import":"1","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2023-08-22T08:49:14Z","oa_version":"Published Version","year":"2015","article_type":"original"},{"citation":{"apa":"Kraus, P. M., Tolstikhin, O. I., Baykusheva, D. R., Rupenyan, A., Schneider, J., Bisgaard, C. Z., … Wörner, H. J. (2015). Observation of laser-induced electronic structure in oriented polyatomic molecules. Nature Communications. Springer Nature. https://doi.org/10.1038/ncomms8039","ama":"Kraus PM, Tolstikhin OI, Baykusheva DR, et al. Observation of laser-induced electronic structure in oriented polyatomic molecules. Nature Communications. 2015;6. doi:10.1038/ncomms8039","short":"P.M. Kraus, O.I. Tolstikhin, D.R. Baykusheva, A. Rupenyan, J. Schneider, C.Z. Bisgaard, T. Morishita, F. Jensen, L.B. Madsen, H.J. Wörner, Nature Communications 6 (2015).","mla":"Kraus, P. M., et al. “Observation of Laser-Induced Electronic Structure in Oriented Polyatomic Molecules.” Nature Communications, vol. 6, 7039, Springer Nature, 2015, doi:10.1038/ncomms8039.","ieee":"P. M. Kraus et al., “Observation of laser-induced electronic structure in oriented polyatomic molecules,” Nature Communications, vol. 6. Springer Nature, 2015.","ista":"Kraus PM, Tolstikhin OI, Baykusheva DR, Rupenyan A, Schneider J, Bisgaard CZ, Morishita T, Jensen F, Madsen LB, Wörner HJ. 2015. Observation of laser-induced electronic structure in oriented polyatomic molecules. Nature Communications. 6, 7039.","chicago":"Kraus, P. M., O. I. Tolstikhin, Denitsa Rangelova Baykusheva, A. Rupenyan, J. Schneider, C. Z. Bisgaard, T. Morishita, F. Jensen, L. B. Madsen, and H. J. Wörner. “Observation of Laser-Induced Electronic Structure in Oriented Polyatomic Molecules.” Nature Communications. Springer Nature, 2015. https://doi.org/10.1038/ncomms8039."},"title":"Observation of laser-induced electronic structure in oriented polyatomic molecules","day":"05","type":"journal_article","author":[{"first_name":"P. M.","full_name":"Kraus, P. M.","last_name":"Kraus"},{"first_name":"O. I.","full_name":"Tolstikhin, O. I.","last_name":"Tolstikhin"},{"last_name":"Baykusheva","first_name":"Denitsa Rangelova","full_name":"Baykusheva, Denitsa Rangelova","id":"71b4d059-2a03-11ee-914d-dfa3beed6530"},{"full_name":"Rupenyan, A.","first_name":"A.","last_name":"Rupenyan"},{"last_name":"Schneider","first_name":"J.","full_name":"Schneider, J."},{"full_name":"Bisgaard, C. Z.","first_name":"C. Z.","last_name":"Bisgaard"},{"full_name":"Morishita, T.","first_name":"T.","last_name":"Morishita"},{"last_name":"Jensen","first_name":"F.","full_name":"Jensen, F."},{"last_name":"Madsen","first_name":"L. B.","full_name":"Madsen, L. B."},{"last_name":"Wörner","first_name":"H. J.","full_name":"Wörner, H. J."}],"pmid":1,"language":[{"iso":"eng"}],"keyword":["General Physics and Astronomy","General Biochemistry","Genetics and Molecular Biology","General Chemistry","Multidisciplinary"],"doi":"10.1038/ncomms8039","extern":"1","month":"05","date_created":"2023-08-10T06:38:01Z","publisher":"Springer Nature","quality_controlled":"1","publication":"Nature Communications","intvolume":" 6","status":"public","article_type":"original","oa_version":"Published Version","year":"2015","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","date_updated":"2023-08-22T08:52:56Z","scopus_import":"1","external_id":{"pmid":["25940229"]},"publication_identifier":{"eissn":["2041-1723"]},"article_processing_charge":"No","article_number":"7039","_id":"14016","abstract":[{"text":"All attosecond time-resolved measurements have so far relied on the use of intense near-infrared laser pulses. In particular, attosecond streaking, laser-induced electron diffraction and high-harmonic generation all make use of non-perturbative light–matter interactions. Remarkably, the effect of the strong laser field on the studied sample has often been neglected in previous studies. Here we use high-harmonic spectroscopy to measure laser-induced modifications of the electronic structure of molecules. We study high-harmonic spectra of spatially oriented CH3F and CH3Br as generic examples of polar polyatomic molecules. We accurately measure intensity ratios of even and odd-harmonic orders, and of the emission from aligned and unaligned molecules. We show that these robust observables reveal a substantial modification of the molecular electronic structure by the external laser field. Our insights offer new challenges and opportunities for a range of emerging strong-field attosecond spectroscopies.","lang":"eng"}],"date_published":"2015-05-05T00:00:00Z","publication_status":"published","oa":1,"main_file_link":[{"url":"https://doi.org/10.1038/ncomms8039","open_access":"1"}],"volume":6}]