In-silico predicted mouse melanopsins with blue spectral shifts deliver efficient subcellular signaling.

Autor: Wijayaratna D; Department of Chemistry, Saint Louis University, Saint Louis, MO, 63103, USA., Sacchetta F; Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Siena, Italy., Pedraza-González L; Department of Chemistry and Industrial Chemistry, University of Pisa, Pisa, Italy., Fanelli F; Department of Life Sciences, Dulbecco Telethon Institute, University of Modena and Reggio Emilia, Modena, I-41125, Italy., Sugihara T; Department of Biology, Osaka Metropolitan University, O 3-3-138 Sugimoto, Sumiyoshi-Ku, Osaka, 558-8585, Japan., Koyanagi M; Department of Biology, Osaka Metropolitan University, O 3-3-138 Sugimoto, Sumiyoshi-Ku, Osaka, 558-8585, Japan.; The OMU Advanced Research Institute for Natural Science and Technology, Osaka Metropolitan University, Osaka, Japan., Piyawardana S; Department of Chemistry, Saint Louis University, Saint Louis, MO, 63103, USA., Ghotra K; Department of Biology, Siena Heights University, Adrian, MI, 49221, USA., Thotamune W; Department of Chemistry, Saint Louis University, Saint Louis, MO, 63103, USA., Terakita A; Department of Biology, Osaka Metropolitan University, O 3-3-138 Sugimoto, Sumiyoshi-Ku, Osaka, 558-8585, Japan.; The OMU Advanced Research Institute for Natural Science and Technology, Osaka Metropolitan University, Osaka, Japan., Olivucci M; Department of Biotechnology, Chemistry and Pharmacy, University of Siena, Siena, Italy. olivucci@unisi.it.; Department of Chemistry and Center for Photochemical Sciences, Bowling Green State University, Bowling Green, OH, 43403, USA. olivucci@unisi.it., Karunarathne A; Department of Chemistry, Saint Louis University, Saint Louis, MO, 63103, USA. wkarunarathne@slu.edu.

Publikováno v: Cell communication and signaling : CCS [Cell Commun Signal] 2024 Aug 08; Vol. 22 (1), pp. 394. Date of Electronic Publication: 2024 Aug 08.

Comparative quantum-classical dynamics of natural and synthetic molecular rotors show how vibrational synchronization modulates the photoisomerization quantum efficiency.

Autor: Blanco-Gonzalez A; Department of Chemistry and Center for Photochemical Sciences, Bowling Green State University, Bowling Green, OH, 43403, USA., Manathunga M; Department of Chemistry and Center for Photochemical Sciences, Bowling Green State University, Bowling Green, OH, 43403, USA.; Department of Chemistry and Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, MI, 48824, USA., Yang X; Department of Chemistry and Center for Photochemical Sciences, Bowling Green State University, Bowling Green, OH, 43403, USA., Olivucci M; Department of Chemistry and Center for Photochemical Sciences, Bowling Green State University, Bowling Green, OH, 43403, USA. massimo.olivucci@unisi.it.; Department of Biotechnology, Chemistry and Pharmacy, University of Siena, I-53100, Siena, Italy. massimo.olivucci@unisi.it.

Publikováno v: Nature communications [Nat Commun] 2024 Apr 25; Vol. 15 (1), pp. 3499. Date of Electronic Publication: 2024 Apr 25.

Resonant multiphoton processes and excitation limits to structural dynamics.

Autor: Francis WJC; Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, Ontario M5S 3H6, Canada and Department of Physics, University of Toronto, 60 St. George Street, Toronto, Ontario M5S 3J1, Canada., Grewal H; Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, Ontario M5S 3H6, Canada and Department of Physics, University of Toronto, 60 St. George Street, Toronto, Ontario M5S 3J1, Canada., Wainwright AAC; Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, Ontario M5S 3H6, Canada and Department of Physics, University of Toronto, 60 St. George Street, Toronto, Ontario M5S 3J1, Canada., Yang X, Olivucci M, Miller RJD; Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, Ontario M5S 3H6, Canada and Department of Physics, University of Toronto, 60 St. George Street, Toronto, Ontario M5S 3J1, Canada.

Publikováno v: Structural dynamics (Melville, N.Y.) [Struct Dyn] 2024 Mar 01; Vol. 11 (2), pp. 024301. Date of Electronic Publication: 2024 Mar 01 (Print Publication: 2024).

Comparative Study of Uracil Excited-State Photophysics in Water and Acetonitrile via RMS-CASPT2-Driven Quantum-Classical Trajectories.

Autor: Bezabih MS; Department of Chemistry, Bowling Green State University, Bowling Green, Ohio 43403, United States., Kaliakin DS; Department of Chemistry, Bowling Green State University, Bowling Green, Ohio 43403, United States., Blanco-González A; Department of Chemistry, Bowling Green State University, Bowling Green, Ohio 43403, United States., Barneschi L; Dipartimento di Biotechnologie, Chimica e Farmacia, Università di Siena, I-53100 Siena, Italy., Tarnovsky AN; Department of Chemistry, Bowling Green State University, Bowling Green, Ohio 43403, United States., Olivucci M; Department of Chemistry, Bowling Green State University, Bowling Green, Ohio 43403, United States.; Dipartimento di Biotechnologie, Chimica e Farmacia, Università di Siena, I-53100 Siena, Italy.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2023 Dec 21; Vol. 127 (50), pp. 10871-10879. Date of Electronic Publication: 2023 Dec 06.

Quantum-classical simulations of rhodopsin reveal excited-state population splitting and its effects on quantum efficiency.

Autor: Yang X; Department of Chemistry, Bowling Green State University, Bowling Green, OH, USA., Manathunga M; Department of Chemistry, Bowling Green State University, Bowling Green, OH, USA., Gozem S; Department of Chemistry, Georgia State University, Atlanta, GA, USA., Léonard J; Institut de Physique et Chimie des Matériaux de Strasbourg, Université de Strasbourg, CNRS, Strasbourg, France., Andruniów T; Department of Chemistry, Wroclaw University of Science and Technology, Wroclaw, Poland., Olivucci M; Department of Chemistry, Bowling Green State University, Bowling Green, OH, USA. molivuc@bgsu.edu.; Dipartimento di Biotecnologie, Chimica e Farmacia, Università di Siena, Siena, Italy. molivuc@bgsu.edu.; Institute for Advanced Studies, University of Strasbourg, Strasbourg, France. molivuc@bgsu.edu.

Publikováno v: Nature chemistry [Nat Chem] 2022 Apr; Vol. 14 (4), pp. 441-449. Date of Electronic Publication: 2022 Mar 03.