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Structure: Internal structure identifier : 241151
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Quantum modelling of hydrogen chemisorption on graphene and graphite

Frantisek Karlický , Bruno Lepetit , Didier Lemoine
Journal of Chemical Physics, 2014, 140, pp.124702. ⟨10.1063/1.4867995⟩
Journal articles hal-00984340v1

Understanding antioxidant properties of natural compounds at the atomic scale

Florent Di Meo , E. Anouar , Pavlína Podloucká , Gabin Fabre , Patrick Trouillas et al.
Journal of the serbian society for computational mechanics, 2013, 7 (1), pp.58-70
Journal articles hal-00937896v1

Author Correction: Proton irradiation: a key to the challenge of N-glycosidic bond formation in a prebiotic context

Raffaele Saladino , Bruno Bizzarri , Lorenzo Botta , Jiří Šponer , Judit Šponer et al.
Scientific Reports, 2019, 9 (1), pp.4649. ⟨10.1038/s41598-019-40290-6⟩
Journal articles hal-02543419v1
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Nanoporous Titanium (Oxy)nitride Films as Broadband Solar Absorbers

Beatrice Bricchi , Luca Mascaretti , Simona Garattoni , Matteo Mazza , Matteo Ghidelli et al.
ACS Applied Materials & Interfaces, 2022, 14 (16), pp.18453-18463. ⟨10.1021/acsami.2c01185⟩
Journal articles hal-03680643v1
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Mechanism of one-electron oxidation of metformin in aqueous solution.

Patrick Trouillas , Catherine Marchetti , Dominique Bonnefont-Rousselot , Roberto Lazzaroni , Daniel Jore et al.
Physical Chemistry Chemical Physics, 2013, 15 (24), pp.9871-8. ⟨10.1039/c3cp50602a⟩
Journal articles inserm-00835596v1

Synergism of antioxidant action of vitamins E, C and quercetin is related to formation of molecular associations in biomembranes

Gabin Fabre , Imene Bayach , Karel Berka , Markéta Paloncýová , M. Starok et al.
Chemical Communications, 2015, 51 (36), pp.7713-7716. ⟨10.1039/c5cc00636h⟩
Journal articles hal-01257166v1
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Stability of 2′,3′ and 3′,5′ cyclic nucleotides in formamide and in water: a theoretical insight into the factors controlling the accumulation of nucleic acid building blocks in a prebiotic pool

Giuseppe Cassone , Jiří Šponer , Franz Saija , Ernesto Di Mauro , A. Marco Saitta et al.
Physical Chemistry Chemical Physics, 2017, ⟨10.1039/C6CP07993H⟩
Journal articles hal-01421160v1

Electrochemical DNA-biosensors based on long-range electron transfer: optimization of the amperometric detection in the femtomolar range using two-electrode setup and ultramicroelectrode

A. Nassi , F-X. Guillon , A. Amar , B. Hainque , S. Amriche et al.
Electrochimica Acta, 2016, 209, pp.269-277. ⟨10.1016/j.electacta.2016.04.144⟩
Journal articles hal-03292058v1
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Lipid bilayer membrane affinity rationalizes inhibition of lipid peroxidation by a natural lignan antioxidant.

Pavlína Podloucká , Karel Berka , Gabin Fabre , Markéta Paloncýová , Jean-Luc Duroux et al.
Journal of Physical Chemistry B, 2013, 117 (17), pp.5043-9. ⟨10.1021/jp3127829⟩
Journal articles inserm-00835586v1
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Recent advances in catalytic oxidation of 5-hydroxymethylfurfural

Deyang Zhao , Ting Su , Yantao Wang , Rajender S. Varma , Christophe Len et al.
Molecular Catalysis, 2020, 495, pp.111133 -. ⟨10.1016/j.mcat.2020.111133⟩
Journal articles hal-03491658v1

Interaction of wine anthocyanin derivatives with lipid bilayer membranes

T Ossman , Gabin Fabre , Patrick Trouillas
Computational and Theoretical Chemistry, 2015, in press. ⟨10.1016/j.comptc.2015.10.034⟩
Journal articles hal-01257140v1

Lipocarbazole, an efficient lipid peroxidation inhibitor anchored in the membrane

Gabin Fabre , A. Hänchen , Claude-Alain Calliste , Karel Berka , S Banala et al.
Bioorganic and Medicinal Chemistry, 2015, 23 (15), pp.4866-4870. ⟨10.1016/j.bmc.2015.05.031⟩
Journal articles hal-01257158v1

Structure–function relationship for saponin effects on cell cycle arrest and apoptosis in the human 1547 osteosarcoma cells: a molecular modelling approach of natural molecules structurally close to diosgenin

Patrick Trouillas , Cécile Corbière , Bertrand Liagre , Jean-Luc Duroux , Jean-Louis Beneytout et al.
Bioorganic and Medicinal Chemistry Letters, 2005, 13 (4), pp.1141-1149. ⟨10.1016/j.bmc.2004.11.031⟩
Journal articles istex hal-02340679v1
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Short-range imbalances in the AMBER Lennard-Jones potential for (deoxy)ribose···nucleobase lone-pair···π contacts in nucleic acids

Klaudia Mráziková , Jiří Šponer , Vojtěch Mlýnský , Pascal Auffinger , Holger Kruse et al.
Journal of Chemical Information and Modeling, 2021, ⟨10.1021/acs.jcim.1c01047⟩
Journal articles hal-03420653v1
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Syngas Evolution from CO2 Electroreduction by Porous Au Nanostructures

Luca Mascaretti , Alessandro Niorettini , Beatrice Roberta Bricchi , Matteo Ghidelli , Alberto Naldoni et al.
ACS Applied Energy Materials, 2020, 3 (5), pp.4658-4668. ⟨10.1021/acsaem.0c00301⟩
Journal articles hal-03247081v1
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p-Hydroxyphenyl-pyranoanthocyanins: An Experimental and Theoretical Investigation of Their Acid-Base Properties and Molecular Interactions

Anna Vallverdu Queralt , Michal Biler , Emmanuelle Meudec , Christine Le Guerneve , Aude Vernhet et al.
International Journal of Molecular Sciences, 2016, 17 (11), ⟨10.3390/ijms17111842⟩
Journal articles hal-01607617v1
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Photoabsorption spectrum of helium trimer cation-Theoretical modeling

René Kalus , Frantisek Karlický , Bruno Lepetit , Ivana Paidarová , Florent X. Gadéa et al.
Journal of Chemical Physics, 2013, 139 (20), pp.204310. ⟨10.1063/1.4832736⟩
Journal articles hal-00934565v1

Positioning of antioxidant quercetin and its metabolites in lipid bilayer membranes: implication for their lipid-peroxidation inhibition.

Pavlína Košinová , Karel Berka , Michael Wykes , Michal Otyepka , Patrick Trouillas et al.
Journal of Physical Chemistry B, 2012, 116 (4), pp.1309-18. ⟨10.1021/jp208731g⟩
Journal articles hal-00937903v1
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Isosorbide: Recent advances in catalytic production

Frederic Delbecq , Mohamad Reza Khodadadi , Daily Rodriguez Padron , Rajender Varma , Christophe Len et al.
Molecular Catalysis, 2020, 482, pp.110648 -. ⟨10.1016/j.mcat.2019.110648⟩
Journal articles hal-03490123v1

Regio- and stereocontrolled synthesis of oligostilbenoids: theoretical highlights at the supramolecular level.

Saraswati S. Velu , Florent Di Meo , Patrick Trouillas , Juan-Carlos Sancho-Garcia , Jean-Frédéric F. Weber et al.
Journal of Natural Products, 2013, 76 (4), pp.538-46. ⟨10.1021/np300705p⟩
Journal articles inserm-00926247v1

Proton irradiation: a key to the challenge of N-glycosidic bond formation in a prebiotic context

Raffaele Saladino , Bruno M. Bizzarri , Lorenzo Botta , Jiří Šponer , Judit E. Šponer et al.
Scientific Reports, 2017, 7 (1), ⟨10.1038/s41598-017-15392-8⟩
Journal articles hal-01651973v1
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Oxidative Stress Evaluation in Ischemia Reperfusion Models: Characteristics, Limits and Perspectives

Pauline Chazelas , Clara Steichen , Frédéric Favreau , Patrick Trouillas , Patrick Hannaert et al.
International Journal of Molecular Sciences, 2021, 22 (5), pp.2366. ⟨10.3390/ijms22052366⟩
Journal articles hal-03224524v1