Works matching AU Monari, Antonio

Results: 73

Electronic Effects in Phosphino‐Iminophosphorane PdII Complexes upon Varying the N Substituent.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 5, p. 1, doi. 10.1002/chem.202303350

By:

Popovici, Ingrid;
Lognon, Elise;
Casaretto, Nicolas;
Monari, Antonio;
Auffrant, Audrey

Publication type:

Article

G‐Quadruplex Recognition by DARPIns through Epitope/Paratope Analogy**.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 57, p. 1, doi. 10.1002/chem.202201824

By:

Miclot, Tom;
Bignon, Emmanuelle;
Terenzi, Alessio;
Grandemange, Stéphanie;
Barone, Giampaolo;
Monari, Antonio

Publication type:

Article

Forever Young: Structural Stability of Telomeric Guanine Quadruplexes in the Presence of Oxidative DNA Lesions**.

Published in:

Chemistry - A European Journal, 2021, v. 27, n. 34, p. 8865, doi. 10.1002/chem.202100993

By:

Miclot, Tom;
Corbier, Camille;
Terenzi, Alessio;
Hognon, Cécilia;
Grandemange, Stéphanie;
Barone, Giampaolo;
Monari, Antonio

Publication type:

Article

Photoinduced DNA Lesions in Dormant Bacteria: The Peculiar Route Leading to Spore Photoproducts Characterized by Multiscale Molecular Dynamics**.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 62, p. 14236, doi. 10.1002/chem.202002484

By:

Francés‐Monerris, Antonio;
Hognon, Cécilia;
Douki, Thierry;
Monari, Antonio

Publication type:

Article

DNA Nucleobase under Ionizing Radiation: Unexpected Proton Transfer by Thymine Cation in Water Nanodroplets.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 49, p. 11340, doi. 10.1002/chem.202002025

By:

Semmeq, Abderrahmane;
Badawi, Michael;
Hasnaoui, Abdellatif;
Ouaskit, Said;
Monari, Antonio

Publication type:

Article

Cover Feature: Ab Initio Study of the Stepwise versus Concerted Fragmentation Pathways in Microhydrated Thymine Radical Cations (Chem. Eur. J. 68/2019).

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 68, p. 15427, doi. 10.1002/chem.201903862

By:

Semmeq, Abderrahmane;
Monari, Antonio;
Badawi, Michael;
Ouaskit, Said

Publication type:

Article

Ab Initio Study of the Stepwise versus Concerted Fragmentation Pathways in Microhydrated Thymine Radical Cations.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 68, p. 15525, doi. 10.1002/chem.201902462

By:

Semmeq, Abderrahmane;
Monari, Antonio;
Badawi, Michael;
Ouaskit, Said

Publication type:

Article

The Electronic Structure of Graphene Nanoislands: A CAS-SCF and NEVPT2 Study.

Published in:

Advances in Condensed Matter Physics, 2018, p. 1, doi. 10.1155/2018/9097045

By:

Cusinato, Lucy;
Evangelisti, Stefano;
Leininger, Thierry;
Monari, Antonio

Publication type:

Article

The Electronic Structure of Short Carbon Nanotubes: The Effects of Correlation.

Published in:

Advances in Condensed Matter Physics, 2015, v. 2015, p. 1, doi. 10.1155/2015/475890

By:

Chilkuri, Vijay Gopal;
Evangelisti, Stefano;
Leininger, Thierry;
Monari, Antonio

Publication type:

Article

Charge‐Transfer versus Charge‐Separated Triplet Excited States of [ReI(dmp)(CO)3(His124)(Trp122)]+ in Water and in Modified Pseudomonas aeruginosa Azurin Protein.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 10, p. 2519, doi. 10.1002/chem.201803685

By:

Marazzi, Marco;
Gattuso, Hugo;
Fumanal, Maria;
Daniel, Chantal;
Monari, Antonio

Publication type:

Article

Absorption Spectroscopy and Photophysics of a ReI‐dppz Probe for DNA‐Mediated Charge Transport.

Published in:

Chemistry - A European Journal, 2018, v. 24, n. 54, p. 14425, doi. 10.1002/chem.201801980

By:

Fumanal, Maria;
Vela, Sergi;
Gattuso, Hugo;
Monari, Antonio;
Daniel, Chantal

Publication type:

Article

Molecular Dynamics Insights into Polyamine-DNA Binding Modes: Implications for Cross-Link Selectivity.

Published in:

Chemistry - A European Journal, 2017, v. 23, n. 52, p. 12845, doi. 10.1002/chem.201702065

By:

Bignon, Emmanuelle;
Chan, Chen ‐ Hui;
Morell, Christophe;
Monari, Antonio;
Ravanat, Jean ‐ Luc;
Dumont, Elise

Publication type:

Article

DNA Photosensitization by an 'Insider': Photophysics and Triplet Energy Transfer of 5-Methyl-2-pyrimidone Deoxyribonucleoside.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 32, p. 11509, doi. 10.1002/chem.201501212

By:

Bignon, Emmanuelle;
Gattuso, Hugo;
Morell, Christophe;
Dumont, Elise;
Monari, Antonio

Publication type:

Article

Effect of Microhydration in Tuning the Photophysical Behavior of a Luminescent DNA Probe Revealed by Non‐Adiabatic Dynamics.

Published in:

ChemPhotoChem, 2024, v. 8, n. 9, p. 1, doi. 10.1002/cptc.202400078

By:

Lognon, Elise;
Burger, Alain;
Dumont, Elise;
Monari, Antonio

Publication type:

Article

Photophysical Properties of Boron‐Based Chromophores as Effective Moieties in TADF Devices: A Computational Study**.

Published in:

ChemPhotoChem, 2023, v. 7, n. 12, p. 1, doi. 10.1002/cptc.202300147

By:

Ulukan, Pelin;
Monari, Antonio;
Catak, Saron

Publication type:

Article

Environmentally sensitive fluorescence of the topical retinoid adapalene.

Published in:

Frontiers in Chemistry, 2024, p. 1, doi. 10.3389/fchem.2024.1438751

By:

Soler-Orenes, Juan A.;
Monari, Antonio;
Miranda, Miguel A.;
Hernάndez-Gil, Javier;
Lhiaubet-Vallet, Virginie;
Correa, Rodrigo Jose;
Pedzinski, Tomasz

Publication type:

Article

Computational Chemistry. By Jeremy Harvey. Oxford University Press, 2018. Pp. 152. Price GBP 19.99 (paperback). ISBN 9780198755500.

Published in:

2018

By:

Monari, Antonio

Publication type:

Book Review

Photophysical Properties of Ruthenium(II) Polypyridyl DNA Intercalators: Effects of the Molecular Surroundings Investigated by Theory.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 40, p. 12901, doi. 10.1002/chem.201402963

By:

Véry, Thibaut;
Ambrosek, David;
Otsuka, Miho;
Gourlaouen, Christophe;
Assfeld, Xavier;
Monari, Antonio;
Daniel, Chantal

Publication type:

Article

NHC-Based Iron Sensitizers for DSSCs.

Published in:

Inorganics, 2018, v. 6, n. 2, p. 63, doi. 10.3390/inorganics6020063

By:

Duchanois, Thibaut;
Liu, Li;
Pastore, Mariachiara;
Monari, Antonio;
Cebrián, Cristina;
Trolez, Yann;
Darari, Mohamed;
Magra, Kevin;
Francés-Monerris, Antonio;
Domenichini, Edoardo;
Beley, Marc;
Assfeld, Xavier;
Haacke, Stefan;
Gros, Philippe C.

Publication type:

Article

Decoding Circular Dichroism Contributions in Chiral Hybrid Perovskites.

Published in:

European Journal of Inorganic Chemistry, 2025, v. 28, n. 6, p. 1, doi. 10.1002/ejic.202400636

By:

Alehyane, Amina;
Fortino, Mariagrazia;
Barbault, Florent;
Monari, Antonio;
Pietropaolo, Adriana

Publication type:

Article

Bidentate Pyridyl‐NHC Ligands: Synthesis, Ground and Excited State Properties of Their Iron(II) Complexes and the Role of the fac/mer Isomerism.

Published in:

European Journal of Inorganic Chemistry, 2022, v. 2022, n. 7, p. 1, doi. 10.1002/ejic.202100818

By:

Magra, Kévin;
Francés‐Monerris, Antonio;
Cebrián, Cristina;
Monari, Antonio;
Haacke, Stefan;
Gros, Philippe C.

Publication type:

Article

UV-vis absorption spectrum of a novel Ru(II) complex intercalated in DNA: [Ru(2,2′-bipy)(dppz)(2,2′-ArPy)].

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 3, p. 1, doi. 10.1007/s00894-014-2082-2

By:

Chantzis, Agisilaos;
Very, Thibaut;
Despax, Stéphane;
Issenhuth, Jean-Thomas;
Boeglin, Alex;
Hébraud, Pascal;
Pfeffer, Michel;
Monari, Antonio;
Assfeld, Xavier

Publication type:

Article

Insight on the interaction of polychlorobiphenyl with nucleic acid-base.

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 2, p. 581, doi. 10.1007/s00894-012-1580-3

By:

Abtouche, Soraya;
Very, Thibaut;
Monari, Antonio;
Brahimi, Meziane;
Assfeld, Xavier

Publication type:

Article

Electron localizability and polarizability in tight-binding graphene nanostructures.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 126, n. 3/4, p. 257, doi. 10.1007/s00214-009-0700-3

By:

Evangelisti, Stefano;
Bendazzoli, Gian Luigi;
Monari, Antonio

Publication type:

Article

NHC-Based Iron Sensitizers for DSSCs.

Published in:

Agriculture; Basel, 2018, v. 8, n. 5, p. 63, doi. 10.3390/inorganics6020063

By:

Duchanois, Thibaut;
Liu, Li;
Pastore, Mariachiara;
Monari, Antonio;
Cebrián, Cristina;
Trolez, Yann;
Darari, Mohamed;
Magra, Kevin;
Francés-Monerris, Antonio;
Domenichini, Edoardo;
Beley, Marc;
Assfeld, Xavier;
Haacke, Stefan;
Gros, Philippe C.

Publication type:

Article

From non-covalent binding to irreversible DNA lesions: nile blue and nile red as photosensitizing agents.

Published in:

Scientific Reports, 2016, p. 28480, doi. 10.1038/srep28480

By:

Gattuso, Hugo;
Besancenot, Vanessa;
Grandemange, Stéphanie;
Marazzi, Marco;
Monari, Antonio

Publication type:

Article

Nucleic Acids under Stress: Understanding and Simulating Nucleobase Fragmentation Pathways.

Published in:

ChemPlusChem, 2021, v. 86, n. 10, p. 1426, doi. 10.1002/cplu.202100323

By:

Semmeq, Abderrahmane;
Badawi, Michael;
Dziurla, Marie‐Antoinette;
Ouaskit, Said;
Monari, Antonio

Publication type:

Article

An Iron-Based Photosensitizer with Extended Excited-State Lifetime: Photophysical and Photovoltaic Properties.

Published in:

European Journal of Inorganic Chemistry, 2015, v. 2015, n. 14, p. 2469, doi. 10.1002/ejic.201500142

By:

Duchanois, Thibaut;
Etienne, Thibaud;
Cebrián, Cristina;
Liu, Li;
Monari, Antonio;
Beley, Marc;
Assfeld, Xavier;
Haacke, Stefan;
Gros, Philippe C.

Publication type:

Article

Heteroleptic Pyridyl-Carbene Iron Complexes with Tuneable Electronic Properties.

Published in:

European Journal of Inorganic Chemistry, 2014, v. 2014, n. 23, p. 3747, doi. 10.1002/ejic.201402356

By:

Duchanois, Thibaut;
Etienne, Thibaud;
Beley, Marc;
Assfeld, Xavier;
Perpète, Eric A.;
Monari, Antonio;
Gros, Philippe C.

Publication type:

Article

The Iron Maiden. Cytosolic Aconitase/IRP1 Conformational Transition in the Regulation of Ferritin Translation and Iron Hemostasis.

Published in:

Biomolecules (2218-273X), 2021, v. 11, n. 9, p. 1329, doi. 10.3390/biom11091329

By:

Hognon, Cécilia;
Bignon, Emmanuelle;
Harle, Guillaume;
Touche, Nadège;
Grandemange, Stéphanie;
Monari, Antonio

Publication type:

Article

A Portrait of the Chromophore as a Young System—Quantum-Derived Force Field Unraveling Solvent Reorganization upon Optical Excitation of Cyclocurcumin Derivatives.

Published in:

Molecules, 2024, v. 29, n. 8, p. 1752, doi. 10.3390/molecules29081752

By:

Losantos, Raúl;
Prampolini, Giacomo;
Monari, Antonio

Publication type:

Article

Never Cared for What They Do: High Structural Stability of Guanine-Quadruplexes in the Presence of Strand-Break Damage.

Published in:

Molecules, 2022, v. 27, n. 10, p. 3256, doi. 10.3390/molecules27103256

By:

Miclot, Tom;
Hognon, Cécilia;
Bignon, Emmanuelle;
Terenzi, Alessio;
Grandemange, Stéphanie;
Barone, Giampaolo;
Monari, Antonio

Publication type:

Article

E / Z Molecular Photoswitches Activated by Two-Photon Absorption: Comparison between Different Families.

Published in:

Molecules, 2021, v. 26, n. 23, p. 7379, doi. 10.3390/molecules26237379

By:

Marazzi, Marco;
García-Iriepa, Cristina;
Benitez-Martin, Carlos;
Najera, Francisco;
Monari, Antonio;
Sampedro, Diego

Publication type:

Article

Molecular Mechanisms Associated with Clustered Lesion-Induced Impairment of 8-oxoG Recognition by the Human Glycosylase OGG1.

Published in:

Molecules, 2021, v. 26, n. 21, p. 6465, doi. 10.3390/molecules26216465

By:

Jiang, Tao;
Monari, Antonio;
Dumont, Elise;
Bignon, Emmanuelle

Publication type:

Article

Staring at the Naked Goddess: Unraveling the Structure and Reactivity of Artemis Endonuclease Interacting with a DNA Double Strand.

Published in:

Molecules, 2021, v. 26, n. 13, p. 3986, doi. 10.3390/molecules26133986

By:

Hognon, Cécilia;
Monari, Antonio

Publication type:

Article

Solution and Solid-State Photophysical Properties of Positional Isomeric Acrylonitrile Derivatives with Core Pyridine and Phenyl Moieties: Experimental and DFT Studies.

Published in:

Molecules, 2021, v. 26, n. 6, p. 1500, doi. 10.3390/molecules26061500

By:

Castillo, Armando;
Ceballos, Paulina;
Santos, Pilar;
Cerón, Margarita;
Venkatesan, Perumal;
Pérez-Gutiérrez, Enrique;
Sosa-Rivadeneyra, Martha;
Thamotharan, Subbiah;
Siegler, Maxime A.;
Percino, María Judith;
Nogueira, Juan J.;
Martínez-Fernández, Lara;
Segarra-Marti, Javier;
Monari, Antonio

Publication type:

Article

Towards Iron(II) Complexes with Octahedral Geometry: Synthesis, Structure and Photophysical Properties.

Published in:

Molecules, 2020, v. 25, n. 24, p. 5991, doi. 10.3390/molecules25245991

By:

Darari, Mohamed;
Francés-Monerris, Antonio;
Marekha, Bogdan;
Doudouh, Abdelatif;
Wenger, Emmanuel;
Monari, Antonio;
Haacke, Stefan;
Gros, Philippe C.

Publication type:

Article

Iron's Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex.

Published in:

Molecules, 2020, v. 25, n. 13, p. 3084, doi. 10.3390/molecules25133084

By:

Diez-Cabanes, Valentin;
Prampolini, Giacomo;
Francés-Monerris, Antonio;
Monari, Antonio;
Pastore, Mariachiara;
Marchetti, Fabio

Publication type:

Article

QM/MM Benchmarking of Cyanobacteriochrome Slr1393g3 Absorption Spectra.

Published in:

Molecules, 2019, v. 24, n. 9, p. 1720, doi. 10.3390/molecules24091720

By:

Wiebeler, Christian;
Schapiro, Igor;
Monari, Antonio;
Dumont, Elise;
Marazzi, Marco

Publication type:

Article

Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review †.

Published in:

Molecules, 2019, v. 24, n. 9, p. 1653, doi. 10.3390/molecules24091653

By:

de la Lande, Aurélien;
Alvarez-Ibarra, Aurelio;
Hasnaoui, Karim;
Cailliez, Fabien;
Wu, Xiaojing;
Mineva, Tzonka;
Cuny, Jérôme;
Calaminici, Patrizia;
López-Sosa, Luis;
Geudtner, Gerald;
Navizet, Isabelle;
Garcia Iriepa, Cristina;
Salahub, Dennis R.;
Köster, Andreas M.;
Monari, Antonio

Publication type:

Article

Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model.

Published in:

Journal of Computational Chemistry, 2014, v. 35, n. 8, p. 611, doi. 10.1002/jcc.23492

By:

Rossi, Elda;
Evangelisti, Stefano;
Laganà, Antonio;
Monari, Antonio;
Rampino, Sergio;
Verdicchio, Marco;
Baldridge, Kim K.;
Bendazzoli, Gian Luigi;
Borini, Stefano;
Cimiraglia, Renzo;
Angeli, Celestino;
Kallay, Peter;
Lüthi, Hans P.;
Ruud, Kenneth;
Sanchez‐Marin, José;
Scemama, Anthony;
Szalay, Peter G.;
Tajti, Attila

Publication type:

Article

Resolving the Structure of a Guanine Quadruplex in TMPRSS2 Messenger RNA by Circular Dichroism and Molecular Modeling.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 71, p. 1, doi. 10.1002/chem.202403572

By:

D'Anna, Luisa;
Froux, Aurane;
Rainot, Aurianne;
Spinello, Angelo;
Perricone, Ugo;
Barbault, Florent;
Grandemange, Stéphanie;
Barone, Giampaolo;
Terenzi, Alessio;
Monari, Antonio

Publication type:

Article

Interaction of the Immune System TIM-3 Protein with a Model Cellular Membrane Containing Phosphatidyl-Serine Lipids.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 22, p. 1, doi. 10.1002/chem.202304318

By:

Delova, Anastasiia;
Pasc, Andreea;
Monari, Antonio

Publication type:

Article

Structural and functional characterization of DdrC, a novel DNA damage-induced nucleoid associated protein involved in DNA compaction.

Published in:

Nucleic Acids Research, 2022, v. 50, n. 13, p. 7680, doi. 10.1093/nar/gkac563

By:

Banneville, Anne-Sophie;
Bouthier de la Tour, Claire;
De Bonis, Salvatore;
Hognon, Cécilia;
Colletier, Jacques-Philippe;
Teulon, Jean-Marie;
Le Roy, Aline;
Pellequer, Jean-Luc;
Monari, Antonio;
Dehez, François;
Confalonieri, Fabrice;
Servant, Pascale;
Timmins, Joanna

Publication type:

Article

Molecular Bases and Specificity behind the Activation of the Immune System OAS/RNAse L Pathway by Viral RNA.

Published in:

Viruses (1999-4915), 2024, v. 16, n. 8, p. 1246, doi. 10.3390/v16081246

By:

Jung-Rodriguez, Emma;
Barbault, Florent;
Bignon, Emmanuelle;
Monari, Antonio

Publication type:

Article

Specific Recognition of the 5′-Untranslated Region of West Nile Virus Genome by Human Innate Immune System.

Published in:

Viruses (1999-4915), 2022, v. 14, n. 6, p. N.PAG, doi. 10.3390/v14061282

By:

Bignon, Emmanuelle;
Marazzi, Marco;
Miclot, Tom;
Barone, Giampaolo;
Monari, Antonio

Publication type:

Article

A posteriori localization of many‐body excited states through simultaneous diagonalization.

Published in:

Journal of Computational Chemistry, 2023, v. 44, n. 2, p. 105, doi. 10.1002/jcc.27019

By:

Blanc, Ambre;
Monari, Antonio;
Tremblay, Jean Christophe

Publication type:

Article

Triggering Tautomerization of Curcumin by Confinement into Liposomes.

Published in:

ChemPhotoChem, 2019, v. 3, n. 10, p. 1034, doi. 10.1002/cptc.201900159

By:

Girardon, Maxime;
Parant, Stéphane;
Monari, Antonio;
Dehez, François;
Chipot, Christophe;
Rogalska, Ewa;
Canilho, Nadia;
Pasc, Andreea

Publication type:

Article

Toward Luminescent Iron Complexes: Unravelling the Photophysics by Computing Potential Energy Surfaces.

Published in:

ChemPhotoChem, 2019, v. 3, n. 9, p. 666, doi. 10.1002/cptc.201900100

By:

Francés‐Monerris, Antonio;
Gros, Philippe C.;
Assfeld, Xavier;
Monari, Antonio;
Pastore, Mariachiara

Publication type:

Article

The Behavior of Triplet Thymine in a Model B‐DNA Strand. Energetics and Spin Density Localization Revealed by ab initio Molecular Dynamics Simulations†*.

Published in:

Photochemistry & Photobiology, 2022, v. 98, n. 3, p. 633, doi. 10.1111/php.13549

By:

Allahkaram, Laleh;
Monari, Antonio;
Dumont, Elise

Publication type:

Article