Publications by authors named "Roberto Improta"

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Exploring excited-state proton transfer reactions in isothiazologuanosine, an isofunctional fluorescent analogue of guanosine.
Olha Tkach, Lara Martinez-Fernandez, Atzin Esmeralda Ruiz-Lera, Nicolas Humbert, Ludovic Richert, Roberto Improta

Phys Chem Chem Phys· September 2025

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Decoding the base flipping mechanism of the SET- and RING-associated (SRA) domain of the epigenetic UHRF1 protein.
Dipanjan Mukherjee, Stefano Ciaco, Lara Martinez-Fernandez, Krishna Gavvala, Elisa Bombarda, Roberto Improta

Nucleic Acids Res· September 2025

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Fluorescent Silver Nanoclusters Associated with Double-Stranded Poly(dGdC) DNA.
Zakhar Reveguk, Roberto Improta, Lara Martínez-Fernández, Ruslan Ramazanov, Shachar Richter

Nanomaterials (Basel)· March 2025

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Effect of A-DNA and B-DNA Conformation on the Interplay between Local Excitations and Charge-Transfer States in the Ultrafast Decay of Guanine-Cytosine Stacked Dimers: A Quantum Dynamical Investigation.
Mohammad Aarabi, Martha Yaghoubi Jouybari, Qiushuang Xu, Marco Garavelli, Fabrizio Santoro, Roberto Improta

J Phys Chem A· January 2025

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Localized and Excimer Triplet Electronic States of Naphthalene Dimers: A Computational Study.
Lara Martínez-Fernández, Roberto Improta

Molecules· January 2025

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Experimental and Computational Evidence of a Stable RNA G-Triplex Structure at Physiological Temperature in the SARS-CoV-2 Genome.
Marco Campanile, Roberto Improta, Luciana Esposito, Chiara Platella, Rosario Oliva

Angew Chem Int Ed Engl· December 2024

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The Excited State Dynamics of a Mutagenic Guanosine Etheno Adduct Investigated by Femtosecond Fluorescence Spectroscopy and Quantum Mechanical Calculations.
Paloma Lizondo-Aranda, Thomas Gustavsson, Lara Martínez-Fernández, Roberto Improta, Virginie Lhiaubet-Vallet

Chemistry· September 2024

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The photoactivated dynamics of dGpdC and dCpdG sequences in DNA: a comprehensive quantum mechanical study.
Lara Martínez-Fernández, James Alexander Green, Luciana Esposito, Martha Yaghoubi Jouybari, Yuyuan Zhang, Roberto Improta

Chem Sci· June 2024

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Ag-Mediated Folding of Long Polyguanine Strands to Double and Quadruple Helixes.
Liat Katrivas, Anna Makarovsky, Benjamin Kempinski, Antonio Randazzo, Roberto Improta

Nanomaterials (Basel)· April 2024

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Ultrafast Formation of a Delocalized Triplet-Excited State in an Epigenetically Modified DNA Duplex under Direct UV Excitation.
Xueli Wang, Lara Martínez-Fernández, Yuyuan Zhang, Peicong Wu, Bern Kohler, Roberto Improta

J Am Chem Soc· January 2024

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Shedding Light on the Photophysics and Photochemistry of I-Motifs Using Quantum Mechanical Calculations.
Roberto Improta

Int J Mol Sci· August 2023

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The photophysics of protonated cytidine and hemiprotonated cytidine base pair: A computational study.
Lara Martinez-Fernandez, Roberto Improta

Photochem Photobiol· July 2023

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Computing the electronic circular dichroism spectrum of DNA quadruple helices of different topology: A critical test for a generalized excitonic model based on a fragment diabatization.
Haritha Asha, James A Green, Luciana Esposito, Fabrizio Santoro, Roberto Improta

Chirality· May 2023

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The Resonance Raman Spectrum of Cytosine in Water: Analysis of the Effect of Specific Solute-Solvent Interactions and Non-Adiabatic Couplings.
Qiushuang Xu, Yanli Liu, Meishan Wang, Javier Cerezo, Roberto Improta

Molecules· March 2023

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Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study.
Haritha Asha, James A Green, Luciana Esposito, Lara Martinez-Fernandez, Fabrizio Santoro, Roberto Improta

J Phys Chem B· December 2022

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Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform.
James A Green, Sandra Gómez, Graham Worth, Fabrizio Santoro, Roberto Improta

Chemistry· October 2022

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Nonadiabatic Vibrational Resonance Raman Spectra from Quantum Dynamics Propagations with LVC Models. Application to Thymine.
Qiushuang Xu, Daniel Aranda, Martha Yaghoubi Jouybari, Yanli Liu, Meishan Wang, Roberto Improta

J Phys Chem A· October 2022

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Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine-Cytosine in Chloroform.
James A Green, Sandra Gómez, Graham Worth, Fabrizio Santoro, Roberto Improta

Chemistry· October 2022

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Nucleic Acids as a Playground for the Computational Study of the Photophysics and Photochemistry of Multichromophore Assemblies.
Lara Martínez Fernández, Fabrizio Santoro, Roberto Improta

Acc Chem Res· August 2022

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Thienoguanosine, a unique non-perturbing reporter for investigating rotational dynamics of DNA duplexes and their complexes with proteins.
Natalia Grytsyk, Ludovic Richert, Pascal Didier, Dmytro Dziuba, Stefano Ciaco, Roberto Improta

Int J Biol Macromol· July 2022

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Thienoguanosine brightness in DNA duplexes is governed by the localization of its* excitation in the lowest energy absorption band.
Stefano Ciaco, Krishna Gavvala, Vanille Greiner, Viola Mazzoleni, Pascal Didier, Roberto Improta

Methods Appl Fluoresc· May 2022

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Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study.
Daniil A Fedotov, Alexander C Paul, Henrik Koch, Fabrizio Santoro, Sonia Coriani, Roberto Improta

Phys Chem Chem Phys· February 2022

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Early steps of oxidative damage in DNA quadruplexes are position-dependent: Quantum mechanical and molecular dynamics analysis of human telomeric sequence containing ionized guanine.
Haritha Asha, Petr Stadlbauer, Lara Martínez-Fernández, Pavel Banáš, Jiří Šponer, Roberto Improta

Int J Biol Macromol· January 2022

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The Excited State Dynamics of a Mutagenic Cytidine Etheno Adduct Investigated by Combining Time-Resolved Spectroscopy and Quantum Mechanical Calculations.
Paloma Lizondo-Aranda, Lara Martínez-Fernández, Miguel A Miranda, Roberto Improta, Thomas Gustavsson

J Phys Chem Lett· January 2022

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The Ultrafast Quantum Dynamics of Photoexcited Adenine-Thymine Basepair Investigated with a Fragment-based Diabatization and a Linear Vibronic Coupling Model.
Martha Yaghoubi Jouybari, James A Green, Roberto Improta, Fabrizio Santoro

J Phys Chem A· October 2021

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