Chemistry
Listando 27 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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Article
Microscopic interactions between ivermectin and key human and viral proteins involved in SARS-CoV-2 infection
Frances-Monerris, Antonio; Garcia-Iriepa, Cristina; Iriepa, Isabel; Hognon, Cecilia; Miclot, Tom; Barone, Giampaolo; Monari, Antonio; Marazzi, Marco
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2021)
DOI /
10.1039/d1cp02967c
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26
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0
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10
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Article
Induced Night Vision by Singlet-Oxygen-Mediated Activation of Rhodopsin
Marazzi, Marco; Gattuso, Hugo; Giussani, Angelo; Zhang, Hong; Navarrete-Miguel, Miriam; Chipot, Christophe; Cai, Wensheng; Roca-Sanjuan, Daniel; Dehez, Francois; Monari, Antonio
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2019)
DOI /
10.1021/acs.jpclett.9b02911
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12
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2
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Article
Structure and Dynamics of RNA Guanine Quadruplexes in SARS-CoV-2 Genome. Original Strategies against Emerging Viruses
Miclot, Tom; Hognon, Cecilia; Bignon, Emmanuelle; Terenzi, Alessio; Marazzi, Marco; Barone, Giampaolo; Monari, Antonio
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2021)
DOI /
10.1021/acs.jpclett.1c03071
Green published, Green submitted
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22
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Article
Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses
Hognon, Cecilia; Miclot, Tom; Garcia-Iriepa, Cristina; Frances-Monerris, Antonio; Grandemange, Stephanie; Terenzi, Alessio; Marazzi, Marco; Barone, Giampaolo; Monari, Antonio
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2020)
DOI /
10.1021/acs.jpclett.0c01097
Green published, Bronze, Green submitted
Mentions
19
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Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus-2 and the Receptor of Human Angiotensin-Converting Enzyme 2. Effects of Possible Ligands
Garcia-Iriepa, Cristina; Hognon, Cecilia; Frances-Monerris, Antonio; Iriepa, Isabel; Miclot, Tom; Barone, Giampaolo; Monari, Antonio; Marazzi, Marco
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2020)
DOI /
10.1021/acs.jpclett.0c02203
Green published, Bronze, Green submitted
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36
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Article
Dynamics of the excited-state hydrogen transfer in a (dG).(dC) homopolymer: intrinsic photostability of DNA
Frances-Monerris, Antonio; Gattuso, Hugo; Roca-Sanjuan, Daniel; Tunon, Inaki; Marazzi, Marco; Dumont, Elise; Monari, Antonio
CHEMICAL SCIENCE
2041-6520 (2018)
DOI /
10.1039/c8sc03252a
Green published, Gold
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6
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Article
First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases
Jaiswal, Vishal K.; Segarra-Marti, Javier; Marazzi, Marco; Zvereva, Elena; Assfeld, Xavier; Monari, Antonio; Garavelli, Marco; Rivalta, Ivan
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2020)
DOI /
10.1039/d0cp01823f
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4
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Article
Trans-to-cis photoisomerization of cyclocurcumin in different environments rationalized by computational photochemistry
Marazzi, Marco; Frances-Monerris, Antonio; Mourer, Maxime; Pasc, Andreea; Monari, Antonio
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2020)
DOI /
10.1039/c9cp06565b
Green submitted
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2
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Competing ultrafast photoinduced electron transfer and intersystem crossing of [Re(CO)(3)(Dmp)(His124)(Trp122)]+ in Pseudomonas aeruginosa azurin: a nonadiabatic dynamics study
Mai, Sebastian; Menger, Maximilian F. S. J.; Marazzi, Marco; Stolba, Dario L.; Monari, Antonio; Gonzalez, Leticia
THEORETICAL CHEMISTRY ACCOUNTS
1432-881X (2020)
DOI /
10.1007/s00214-020-2555-6
Green published, Hybrid
Mentions
9
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Review
Steady-State Linear and Non-linear Optical Spectroscopy of Organic Chromophores and Bio-macromolecules
Marazzi, Marco; Gattuso, Hugo; Monari, Antonio; Assfeld, Xavier
FRONTIERS IN CHEMISTRY
2296-2646 (2018)
DOI /
10.3389/fchem.2018.00086
Gold DOAJ, Green published
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8
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0
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Article
Intersystem Crossing as a Key Component of the Nonadiabatic Relaxation Dynamics of Bithiophene and Terthiophene
Schnappinger, Thomas; Marazzi, Marco; Ma, Sebastian; Monari, Antonio; Gonzalez, Leticia; de Vivie-Riedle, Regina
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2018)
DOI /
10.1021/acs.jctc.8b00492
Green accepted
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13
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Article
Dinuclear Gold(I) Complexes Bearing Alkyl-Bridged Bis(N-heterocyclic carbene) Ligands as Catalysts for Carboxylative Cyclization of Propargylamine: Synthesis, Structure, and Kinetic and Mechanistic Comparison to the Mononuclear Complex [Au(IPr)CI]
Bayrakdar, Tahani A. C. A.; Nahra, Fady; Davis, Jack, V; Gamage, Mohan M.; Captain, Burjor; Temprado, Manuel; Marazzi, Marco; Saab, Marina; Van Hecke, Kristof; Ormerod, Dominic; Hoff, Carl D.; Nolan, Steven P.
ORGANOMETALLICS
0276-7333 (2020)
DOI /
10.1021/acs.organomet.0c00404
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5
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Article
E/Z Molecular Photoswitches Activated by Two-Photon Absorption: Comparison between Different Families
Marazzi, Marco; Garcia-Iriepa, Cristina; Benitez-Martin, Carlos; Najera, Francisco; Monari, Antonio; Sampedro, Diego
MOLECULES
(2021)
DOI /
10.3390/molecules26237379
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5
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Article
From Light Absorption to Cyclization: Structure and Solvent Effects in Donor-Acceptor Stenhouse Adducts
Garcia-Iriepa, Cristina; Marazzi, Marco; Sampedro, Diego
CHEMPHOTOCHEM
2367-0932 (2019)
DOI /
10.1002/cptc.201900102
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8
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0
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Article
pi-Bridge Substitution in DASAs: The Subtle Equilibrium between Photochemical Improvements and Thermal Control**
Martinez-Lopez, David; Santamaria-Aranda, Eduardo; Marazzi, Marco; Garcia-Iriepa, Cristina; Sampedro, Diego
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2021)
DOI /
10.1002/chem.202004988
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11
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Article
Far Red Fluorescent Proteins: Where Is the Limit of the Acylimine Chromophore?
Moron, Victor; Marazzi, Marco; Wanko, Marius
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2019)
DOI /
10.1021/acs.jctc.9b00070
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5
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Article
Reaction dynamics of the chimeric channelrhodopsin C1C2
Hontani, Yusaku; Marazzi, Marco; Stehfest, Katja; Mathes, Tilo; van Stokkum, Ivo H. M.; Elstner, Marcus; Hegemann, Peter; Kennis, John T. M.
SCIENTIFIC REPORTS
2045-2322 (2017)
DOI /
10.1038/s41598-017-07363-w
Green published, Gold
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6
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Article
Charge-Transfer versus Charge-Separated Triplet Excited States of [Re-I(dmp)(CO)(3)(His124)(Trp122)](+) in Water and in Modified Pseudomonas aeruginosa Azurin Protein
Marazzi, Marco; Gattuso, Hugo; Fumanal, Maria; Daniel, Chantal; Monari, Antonio
CHEMISTRY-A EUROPEAN JOURNAL
0947-6539 (2019)
DOI /
10.1002/chem.201803685
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5
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Article
Interaction of a 1,3-Dicarbonyl Toxin with Ru(II)-Biimidazole Complexes for Luminescence Sensing: A Spectroscopic and Photochemical Experimental Study Rationalized by Time-Dependent Density Functional Theory Calculations
Quilez-Alburquerque, Jose; Garcia-Iriepa, Cristina; Marazzi, Marco; Descalzo, Ana B.; Orellana, Guillermo
INORGANIC CHEMISTRY
(2021)
DOI /
10.1021/acs.inorgchem.1c02887
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6
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Thermal and Mechanochemical Tuning of the Porphyrin Singlet-Triplet Gap for Selective Energy Transfer Processes: A Molecular Dynamics Approach
Zapata, Felipe; Nucci, Martina; Castano, Obis; Marazzi, Marco; Manuel Frutos, Luis
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2021)
DOI /
10.1021/acs.jctc.1c00291
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4
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Simulating the Electronic Circular Dichroism Spectra of Photoreversible Peptide Conformations
Gattuso, Hugo; Garcia-Iriepa, Cristina; Sampedro, Diego; Monari, Antonio; Marazzi, Marco
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2017)
DOI /
10.1021/acs.jctc.7b00163
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3
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Article
Optomechanical Control of Quantum Yield in Trans-Cis Ultrafast Photoisomerization of a Retinal Chromophore Model
Valentini, Alessio; Rivero, Daniel; Zapata, Felipe; Garcia-Iriepa, Cristina; Marazzi, Marco; Palmeiro, Raul; Galvan, Ignacio Fdez; Sampedro, Diego; Olivucci, Massimo; Manuel Frutos, Luis
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
1433-7851 (2017)
DOI /
10.1002/anie.201611265
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4
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0
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Article
Photosensitized Retinal Isomerization in Rhodopsin Mediated by a Triplet State
Valentini, Alessio; Nucci, Martina; Manuel Frutos, Luis; Marazzi, Marco
CHEMPHOTOCHEM
2367-0932 (2019)
DOI /
10.1002/cptc.201900067
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3
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Insights into the mechanism of photosynthetic H-2 evolution catalyzed by a heptacoordinate cobalt complex
Lucarini, Fiorella; Fize, Jennifer; Morozan, Adina; Marazzi, Marco; Natali, Mirco; Pastore, Mariachiara; Artero, Vincent; Ruggi, Albert
SUSTAINABLE ENERGY & FUELS
2398-4902 (2020)
DOI /
10.1039/c9se00434c
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4
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Ultrafast dynamics in polycyclic aromatic hydrocarbons: the key case of conical intersections at higher excited states and their role in the photophysics of phenanthrene monomer
Nazari, M.; Bosch, C. D.; Rondi, A.; Frances-Monerris, A.; Marazzi, M.; Lognon, E.; Gazzetto, M.; Langenegger, S. M.; Haner, R.; Feurer, T.; Monari, A.; Cannizzo, A.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
1463-9076 (2019)
DOI /
10.1039/c9cp03147b
Green submitted, Green published, Hybrid
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3
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Article
Resolving the Singlet Excited State Manifold of Benzophenone by First-Principles Simulations and Ultrafast Spectroscopy
Segarra-Marti, Javier; Zvereva, Elena; Marazzi, Marco; Brazard, Johanna; Dumont, Elise; Assfeld, Xavier; Haacke, Stefan; Garavelli, Marco; Monari, Antonio; Leonard, Jeremie; Rivalta, Ivan
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2018)
DOI /
10.1021/acs.jctc.7b01208
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2
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Rationalizing Photo-Triggered Hydrogen Evolution Using Polypyridine Cobalt Complexes: Substituent Effects on Hexadentate Chelating Ligands
Lucarini, Fiorella; Bongni, David; Schiel, Philippe; Bevini, Gabriele; Benazzi, Elisabetta; Solari, Euro; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Marazzi, Marco; Natali, Mirco; Pastore, Mariachiara; Ruggi, Albert
CHEMSUSCHEM
1864-5631 (2021)
DOI /
10.1002/cssc.202100161
Green submitted
