[{"acknowledgement":"This work has been supported by the MZOŠ projects 098-0352851-2921 and 119-1191342-2959.","publisher":"Royal Society of Chemistry ","quality_controlled":"1","year":"2010","day":"16","publication":"Physical Chemistry Chemical Physics","page":"4678-4685","doi":"10.1039/b923041f","date_published":"2010-03-16T00:00:00Z","date_created":"2021-10-12T08:44:34Z","citation":{"chicago":"Šarić, Anđela, T. Hrenar, M. Mališ, and N. Došlić. “Quantum Mechanical Study of Secondary Structure Formation in Protected Dipeptides.” Physical Chemistry Chemical Physics. Royal Society of Chemistry , 2010. https://doi.org/10.1039/b923041f.","ista":"Šarić A, Hrenar T, Mališ M, Došlić N. 2010. Quantum mechanical study of secondary structure formation in protected dipeptides. Physical Chemistry Chemical Physics. 12(18), 4678–4685.","mla":"Šarić, Anđela, et al. “Quantum Mechanical Study of Secondary Structure Formation in Protected Dipeptides.” Physical Chemistry Chemical Physics, vol. 12, no. 18, Royal Society of Chemistry , 2010, pp. 4678–85, doi:10.1039/b923041f.","short":"A. Šarić, T. Hrenar, M. Mališ, N. Došlić, Physical Chemistry Chemical Physics 12 (2010) 4678–4685.","ieee":"A. Šarić, T. Hrenar, M. Mališ, and N. Došlić, “Quantum mechanical study of secondary structure formation in protected dipeptides,” Physical Chemistry Chemical Physics, vol. 12, no. 18. Royal Society of Chemistry , pp. 4678–4685, 2010.","apa":"Šarić, A., Hrenar, T., Mališ, M., & Došlić, N. (2010). Quantum mechanical study of secondary structure formation in protected dipeptides. Physical Chemistry Chemical Physics. Royal Society of Chemistry . https://doi.org/10.1039/b923041f","ama":"Šarić A, Hrenar T, Mališ M, Došlić N. Quantum mechanical study of secondary structure formation in protected dipeptides. Physical Chemistry Chemical Physics. 2010;12(18):4678-4685. doi:10.1039/b923041f"},"user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","author":[{"full_name":"Šarić, Anđela","orcid":"0000-0002-7854-2139","last_name":"Šarić","first_name":"Anđela","id":"bf63d406-f056-11eb-b41d-f263a6566d8b"},{"first_name":"T.","full_name":"Hrenar, T.","last_name":"Hrenar"},{"last_name":"Mališ","full_name":"Mališ, M.","first_name":"M."},{"first_name":"N.","last_name":"Došlić","full_name":"Došlić, N."}],"article_processing_charge":"No","external_id":{"pmid":["20428547"]},"title":"Quantum mechanical study of secondary structure formation in protected dipeptides","abstract":[{"lang":"eng","text":"An extensive computational study of the conformational preferences of three capped dipeptides: Ac-Xxx-Phe-NH2, Xxx = Gly, Ala, Val is reported. On the basis of local second-order Møller–Plesset perturbation theory (LMP2) and DFT computations we were able to identify the experimentally observed conformers as γL–γL(g−) and β-turn I(g+) in Ac-Gly-Phe-NH2, and Ac-Ala-Phe-NH2, and as the closely related γL(g+)–γL(g−) and β-turn I(a,g+) in Ac-Val-Phe-NH2. In contrast to the experimental observation that peptides with bulky side chain have a propensity for β-turns, we show that in Ac-Val-Phe-NH2 the minimum energy structure corresponds to the experimentally non detected β-strand."}],"oa_version":"None","pmid":1,"main_file_link":[{"url":"https://europepmc.org/article/med/20428547"}],"month":"03","intvolume":" 12","publication_identifier":{"issn":["1463-9076","1463-9084"]},"publication_status":"published","language":[{"iso":"eng"}],"issue":"18","volume":12,"_id":"10128","type":"journal_article","article_type":"original","status":"public","keyword":["Physical and Theoretical Chemistry","General Physics and Astronomy"],"date_updated":"2021-10-12T09:49:22Z","extern":"1"},{"external_id":{"arxiv":["1010.2453"]},"article_processing_charge":"No","author":[{"id":"bf63d406-f056-11eb-b41d-f263a6566d8b","first_name":"Anđela","full_name":"Šarić, Anđela","orcid":"0000-0002-7854-2139","last_name":"Šarić"},{"first_name":"Angelo","last_name":"Cacciuto","full_name":"Cacciuto, Angelo"}],"title":"Particle self-assembly on soft elastic shells","citation":{"mla":"Šarić, Anđela, and Angelo Cacciuto. “Particle Self-Assembly on Soft Elastic Shells.” Soft Matter, vol. 7, no. 5, Royal Society of Chemistry (RSC), 2010, pp. 1874–78, doi:10.1039/c0sm01143f.","apa":"Šarić, A., & Cacciuto, A. (2010). Particle self-assembly on soft elastic shells. Soft Matter. Royal Society of Chemistry (RSC). https://doi.org/10.1039/c0sm01143f","ama":"Šarić A, Cacciuto A. Particle self-assembly on soft elastic shells. Soft Matter. 2010;7(5):1874-1878. doi:10.1039/c0sm01143f","ieee":"A. Šarić and A. Cacciuto, “Particle self-assembly on soft elastic shells,” Soft Matter, vol. 7, no. 5. Royal Society of Chemistry (RSC), pp. 1874–1878, 2010.","short":"A. Šarić, A. Cacciuto, Soft Matter 7 (2010) 1874–1878.","chicago":"Šarić, Anđela, and Angelo Cacciuto. “Particle Self-Assembly on Soft Elastic Shells.” Soft Matter. Royal Society of Chemistry (RSC), 2010. https://doi.org/10.1039/c0sm01143f.","ista":"Šarić A, Cacciuto A. 2010. Particle self-assembly on soft elastic shells. Soft Matter. 7(5), 1874–1878."},"user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","page":"1874-1878","date_created":"2021-10-12T08:34:23Z","doi":"10.1039/c0sm01143f","date_published":"2010-12-23T00:00:00Z","year":"2010","publication":"Soft Matter","day":"23","oa":1,"publisher":"Royal Society of Chemistry (RSC)","quality_controlled":"1","acknowledgement":"This work was supported by the National Science Foundation under Career Grant No. DMR-0846426. We thank Josep C. Pàmies for helpful discussions.","date_updated":"2021-10-12T09:49:27Z","extern":"1","type":"journal_article","article_type":"original","keyword":["condensed matter physics","general chemistry"],"status":"public","_id":"10127","issue":"5","volume":7,"publication_status":"published","publication_identifier":{"issn":["1744-683X","1744-6848"]},"language":[{"iso":"eng"}],"main_file_link":[{"url":"https://arxiv.org/abs/1010.2453","open_access":"1"}],"intvolume":" 7","month":"12","abstract":[{"lang":"eng","text":"We use numerical simulations to show how noninteracting hard particles binding to a deformable elastic shell may self-assemble into a variety of linear patterns. This is a result of the nontrivial elastic response to deformations of shells. The morphology of the patterns can be controlled by the mechanical properties of the surface, and can be fine-tuned by varying the binding energy of the particles. We also repeat our calculations for a fully flexible chain and find that the chain conformations follow patterns similar to those formed by the nanoparticles under analogous conditions. We propose a simple way of understanding and sorting the different structures and relate it to the underlying shape transition of the shell. Finally, we discuss the implications of our results."}],"oa_version":"Preprint"},{"_id":"10390","article_type":"original","type":"journal_article","status":"public","keyword":["materials chemistry"],"date_updated":"2021-11-29T16:20:29Z","extern":"1","abstract":[{"text":"We use numerical simulations to study the phase behavior of a system of purely repulsive soft dumbbells as a function of size ratio of the two components and their relative degree of deformability. We find a plethora of different phases, which includes most of the mesophases observed in self-assembly of block copolymers but also crystalline structures formed by asymmetric, hard binary mixtures. Our results detail the phenomenological behavior of these systems when softness is introduced in terms of two different classes of interparticle interactions: (a) the elastic Hertz potential, which has a finite energy cost for complete overlap of any two components, and (b) a generic power-law repulsion with tunable exponent. We discuss how simple geometric arguments can be used to account for the large structural variety observed in these systems and detail the similarities and differences in the phase behavior for the two classes of potentials under consideration.","lang":"eng"}],"pmid":1,"oa_version":"Preprint","scopus_import":"1","main_file_link":[{"url":"https://arxiv.org/abs/1010.2458","open_access":"1"}],"month":"10","intvolume":" 115","publication_identifier":{"eissn":["1520-5207"],"issn":["1520-6106"]},"publication_status":"published","language":[{"iso":"eng"}],"volume":115,"issue":"22","citation":{"short":"A. Šarić, B. Bozorgui, A. Cacciuto, The Journal of Physical Chemistry B 115 (2010) 7182–7189.","ieee":"A. Šarić, B. Bozorgui, and A. Cacciuto, “Packing of soft asymmetric dumbbells,” The Journal of Physical Chemistry B, vol. 115, no. 22. American Chemical Society, pp. 7182–7189, 2010.","ama":"Šarić A, Bozorgui B, Cacciuto A. Packing of soft asymmetric dumbbells. The Journal of Physical Chemistry B. 2010;115(22):7182-7189. doi:10.1021/jp107545w","apa":"Šarić, A., Bozorgui, B., & Cacciuto, A. (2010). Packing of soft asymmetric dumbbells. The Journal of Physical Chemistry B. American Chemical Society. https://doi.org/10.1021/jp107545w","mla":"Šarić, Anđela, et al. “Packing of Soft Asymmetric Dumbbells.” The Journal of Physical Chemistry B, vol. 115, no. 22, American Chemical Society, 2010, pp. 7182–89, doi:10.1021/jp107545w.","ista":"Šarić A, Bozorgui B, Cacciuto A. 2010. Packing of soft asymmetric dumbbells. The Journal of Physical Chemistry B. 115(22), 7182–7189.","chicago":"Šarić, Anđela, Behnaz Bozorgui, and Angelo Cacciuto. “Packing of Soft Asymmetric Dumbbells.” The Journal of Physical Chemistry B. American Chemical Society, 2010. https://doi.org/10.1021/jp107545w."},"user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","author":[{"full_name":"Šarić, Anđela","orcid":"0000-0002-7854-2139","last_name":"Šarić","first_name":"Anđela","id":"bf63d406-f056-11eb-b41d-f263a6566d8b"},{"full_name":"Bozorgui, Behnaz","last_name":"Bozorgui","first_name":"Behnaz"},{"first_name":"Angelo","last_name":"Cacciuto","full_name":"Cacciuto, Angelo"}],"article_processing_charge":"No","external_id":{"arxiv":["1010.2458"],"pmid":["20949934"]},"title":"Packing of soft asymmetric dumbbells","acknowledgement":"This work was supported by the National Science Foundation under CAREER Grant No. DMR-0846426 and partly by Columbia University.","quality_controlled":"1","publisher":"American Chemical Society","oa":1,"year":"2010","day":"15","publication":"The Journal of Physical Chemistry B","page":"7182-7189","doi":"10.1021/jp107545w","date_published":"2010-10-15T00:00:00Z","date_created":"2021-11-29T15:13:17Z"},{"date_updated":"2021-11-30T08:11:19Z","extern":"1","_id":"10391","article_type":"original","type":"journal_article","keyword":["general physics and astronomy"],"status":"public","publication_status":"published","publication_identifier":{"eissn":["1079-7114"],"issn":["0031-9007"]},"language":[{"iso":"eng"}],"issue":"22","volume":104,"abstract":[{"text":"We use numerical simulations to show how a fully flexible filament binding to a deformable cylindrical surface may acquire a macroscopic persistence length and a helical conformation. This is a result of the nontrivial elastic response to deformations of elastic sheets. We find that the filament’s helical pitch is completely determined by the mechanical properties of the surface, and can be easily tuned by varying the surface stretching rigidity. We propose simple scaling arguments to understand the physical mechanism behind this phenomenon and present a phase diagram indicating under what conditions one should expect a fully flexible chain to behave as a helical semiflexible filament. Finally, we discuss the implications of our results.","lang":"eng"}],"pmid":1,"oa_version":"Preprint","main_file_link":[{"url":"https://arxiv.org/abs/1005.2429","open_access":"1"}],"scopus_import":"1","intvolume":" 104","month":"06","citation":{"ista":"Šarić A, Pàmies JC, Cacciuto A. 2010. Effective elasticity of a flexible filament bound to a deformable cylindrical surface. Physical Review Letters. 104(22), 226101.","chicago":"Šarić, Anđela, Josep C. Pàmies, and Angelo Cacciuto. “Effective Elasticity of a Flexible Filament Bound to a Deformable Cylindrical Surface.” Physical Review Letters. American Physical Society, 2010. https://doi.org/10.1103/physrevlett.104.226101.","ama":"Šarić A, Pàmies JC, Cacciuto A. Effective elasticity of a flexible filament bound to a deformable cylindrical surface. Physical Review Letters. 2010;104(22). doi:10.1103/physrevlett.104.226101","apa":"Šarić, A., Pàmies, J. C., & Cacciuto, A. (2010). Effective elasticity of a flexible filament bound to a deformable cylindrical surface. Physical Review Letters. American Physical Society. https://doi.org/10.1103/physrevlett.104.226101","short":"A. Šarić, J.C. Pàmies, A. Cacciuto, Physical Review Letters 104 (2010).","ieee":"A. Šarić, J. C. Pàmies, and A. Cacciuto, “Effective elasticity of a flexible filament bound to a deformable cylindrical surface,” Physical Review Letters, vol. 104, no. 22. American Physical Society, 2010.","mla":"Šarić, Anđela, et al. “Effective Elasticity of a Flexible Filament Bound to a Deformable Cylindrical Surface.” Physical Review Letters, vol. 104, no. 22, 226101, American Physical Society, 2010, doi:10.1103/physrevlett.104.226101."},"user_id":"8b945eb4-e2f2-11eb-945a-df72226e66a9","external_id":{"pmid":["20867183"],"arxiv":["1005.2429"]},"article_processing_charge":"No","author":[{"first_name":"Anđela","id":"bf63d406-f056-11eb-b41d-f263a6566d8b","full_name":"Šarić, Anđela","orcid":"0000-0002-7854-2139","last_name":"Šarić"},{"first_name":"Josep C.","last_name":"Pàmies","full_name":"Pàmies, Josep C."},{"full_name":"Cacciuto, Angelo","last_name":"Cacciuto","first_name":"Angelo"}],"title":"Effective elasticity of a flexible filament bound to a deformable cylindrical surface","article_number":"226101","year":"2010","publication":"Physical Review Letters","day":"03","date_created":"2021-11-29T15:14:33Z","date_published":"2010-06-03T00:00:00Z","doi":"10.1103/physrevlett.104.226101","acknowledgement":"This work was supported by the National Science Foundation under Career Grant No. DMR-0846426.","oa":1,"publisher":"American Physical Society","quality_controlled":"1"},{"abstract":[{"lang":"eng","text":"Recent years have seen tremendous progress in the field of cold and ultracold molecules. A central goal in the field is currently the realization of stable rovibronic ground-state molecular samples in the regime of quantum degeneracy, e.g. in the form of molecular Bose-Einstein condensates, molecular degenerate Fermi gases, or, when an optical lattice is present, molecular Mott-insulator phases. However, molecular samples are not readily cooled to the extremely low temperatures at which quantum degeneracy occurs. In particular, laser cooling, the \\'workhorse\\' for the field of atomic quantum gases, is generally not applicable to molecular samples. Here we take an important step beyond previous work1 and provide details on the realization of an ultracold quantum gas of ground-state dimer molecules trapped in an optical lattice as recently reported in Ref. 2. We demonstrate full control over all internal and external quantum degrees of freedom for the ground-state molecules by deterministically preparing the molecules in a single quantum state, i.e. in a specific hyperfine sublevel of the rovibronic ground state, while the molecules are trapped in the motional ground state of the individual lattice wells. We circumvent the problem of cooling by associating weakly-bound molecules out of a zero-temperature atomic Mott-insulator state and by transferring these to the absolute ground state in a four-photon STIRAP process. Our preparation procedure directly leads to a long-lived, lattice-trapped molecular many-body state, which we expect to form the platform for many of the envisioned future experiments with molecular quantum gases, e.g. on precision molecular spectroscopy, quantum information science, and dipolar quantum systems."}],"oa_version":"None","publisher":"World Scientific Publishing","month":"01","publication_status":"published","year":"2010","day":"01","language":[{"iso":"eng"}],"page":"256 - 269","date_published":"2010-01-01T00:00:00Z","doi":"10.1142/9789814282345_0024","date_created":"2018-12-11T11:49:50Z","_id":"1042","type":"conference","conference":{"name":"ICOLS: International Conference on Laser Spectroscopy"},"status":"public","citation":{"chicago":"Danzl, Johann G, Manfred Mark, Elmar Haller, Mattias Gustavsson, Russell Hart, and Hanns Nägerl. “Production of a Quantum Gas of Rovibronic Ground-State Molecules in an Optical Lattice,” 256–69. World Scientific Publishing, 2010. https://doi.org/10.1142/9789814282345_0024.","ista":"Danzl JG, Mark M, Haller E, Gustavsson M, Hart R, Nägerl H. 2010. Production of a quantum gas of rovibronic ground-state molecules in an optical lattice. ICOLS: International Conference on Laser Spectroscopy, 256–269.","mla":"Danzl, Johann G., et al. Production of a Quantum Gas of Rovibronic Ground-State Molecules in an Optical Lattice. World Scientific Publishing, 2010, pp. 256–69, doi:10.1142/9789814282345_0024.","short":"J.G. Danzl, M. Mark, E. Haller, M. Gustavsson, R. Hart, H. Nägerl, in:, World Scientific Publishing, 2010, pp. 256–269.","ieee":"J. G. Danzl, M. Mark, E. Haller, M. Gustavsson, R. Hart, and H. Nägerl, “Production of a quantum gas of rovibronic ground-state molecules in an optical lattice,” presented at the ICOLS: International Conference on Laser Spectroscopy, 2010, pp. 256–269.","apa":"Danzl, J. G., Mark, M., Haller, E., Gustavsson, M., Hart, R., & Nägerl, H. (2010). Production of a quantum gas of rovibronic ground-state molecules in an optical lattice (pp. 256–269). Presented at the ICOLS: International Conference on Laser Spectroscopy, World Scientific Publishing. https://doi.org/10.1142/9789814282345_0024","ama":"Danzl JG, Mark M, Haller E, Gustavsson M, Hart R, Nägerl H. Production of a quantum gas of rovibronic ground-state molecules in an optical lattice. In: World Scientific Publishing; 2010:256-269. doi:10.1142/9789814282345_0024"},"date_updated":"2021-01-12T06:47:52Z","extern":"1","user_id":"2DF688A6-F248-11E8-B48F-1D18A9856A87","author":[{"full_name":"Danzl, Johann G","orcid":"0000-0001-8559-3973","last_name":"Danzl","id":"42EFD3B6-F248-11E8-B48F-1D18A9856A87","first_name":"Johann G"},{"first_name":"Manfred","full_name":"Mark, Manfred","last_name":"Mark"},{"last_name":"Haller","full_name":"Haller, Elmar","first_name":"Elmar"},{"full_name":"Gustavsson, Mattias","last_name":"Gustavsson","first_name":"Mattias"},{"first_name":"Russell","last_name":"Hart","full_name":"Hart, Russell"},{"full_name":"Nägerl, Hanns","last_name":"Nägerl","first_name":"Hanns"}],"publist_id":"6346","article_processing_charge":"No","title":"Production of a quantum gas of rovibronic ground-state molecules in an optical lattice"}]