Works by Graton, Jérôme

Results: 29

An Unexpected and Significantly Lower Hydrogen-Bond-Donating Capacity of Fluorohydrins Compared to Nonfluorinated Alcohols.

Published in:

Angewandte Chemie, 2012, v. 124, n. 25, p. 6280, doi. 10.1002/ange.201202059

By:

Graton, Jérôme;
Wang, Zhong;
Brossard, Anne-Marie;
Gonçalves Monteiro, Daniela;
Le Questel, Jean-Yves;
Linclau, Bruno

Publication type:

Article

Relating Conformational Equilibria to Conformer‐Specific Lipophilicities: New Opportunities in Drug Discovery.

Published in:

Angewandte Chemie International Edition, 2022, v. 61, n. 7, p. 1, doi. 10.1002/anie.202114862

By:

Linclau, Bruno;
Wang, Zhong;
Jeffries, Benjamin;
Graton, Jérôme;
Carbajo, Rodrigo J.;
Sinnaeve, Davy;
Le Questel, Jean‐Yves;
Scott, James S.;
Chiarparin, Elisabetta

Publication type:

Article

A Study of Intramolecular Hydrogen Bonding in Levoglucosan Derivatives.

Published in:

Molecules, 2017, v. 22, n. 4, p. 518, doi. 10.3390/molecules22040518

By:

Quiquempoix, Lucas;
Bogdan, Elena;
Wells, Neil J.;
Le Questel, Jean-Yves;
Graton, Jérôme;
Linclau, Bruno

Publication type:

Article

Predictive Models for Halogen-bond Basicity of Binding Sites of Polyfunctional Molecules.

Published in:

Molecular Informatics, 2016, v. 35, n. 2, p. 70, doi. 10.1002/minf.201500116

By:

Glavatskikh, Marta;
Madzhidov, Timur;
Solov'ev, Vitaly;
Marcou, Gilles;
Horvath, Dragos;
Graton, Jérôme;
Le Questel, Jean‐Yves;
Varnek, Alexandre

Publication type:

Article

Individual Hydrogen-Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional Molecules.

Published in:

Molecular Informatics, 2014, v. 33, n. 6/7, p. 477, doi. 10.1002/minf.201400032

By:

Ruggiu, Fiorella;
Solov'ev, Vitaly;
Marcou, Gilles;
Horvath, Dragos;
Graton, Jérôme;
Le Questel, Jean‐Yves;
Varnek, Alexandre

Publication type:

Article

Molecular recognition of thiaclopride by Aplysia californica AChBP: new insights from a computational investigation.

Published in:

Journal of Computer-Aided Molecular Design, 2015, v. 29, n. 12, p. 1151, doi. 10.1007/s10822-015-9884-x

By:

Alamiddine, Zakaria;
Selvam, Balaji;
Cerón-Carrasco, José;
Mathé-Allainmat, Monique;
Lebreton, Jacques;
Thany, Steeve;
Laurent, Adèle;
Graton, Jérôme;
Le Questel, Jean-Yves

Publication type:

Article

On the Interplay between Charge‐Shift Bonding and Halogen Bonding.

Published in:

ChemPhysChem, 2020, v. 21, n. 3, p. 240, doi. 10.1002/cphc.201901023

By:

Sarr, Serigne;
Graton, Jérôme;
Montavon, Gilles;
Pilmé, Julien;
Galland, Nicolas

Publication type:

Article

Conformations and Binding Properties of Thiametoxam and Clothianidin Neonicotinoid Insecticides to Nicotinic Acetylcholine Receptors: The Contribution of σ‐Hole Interactions.

Published in:

ChemPhysChem, 2018, v. 19, n. 22, p. 3069, doi. 10.1002/cphc.201800656

By:

Alamiddine, Zakaria;
Thany, Steeve;
Graton, Jérôme;
Le Questel, Jean‐Yves

Publication type:

Article

α-Fluoro- o-cresols: The Key Role of Intramolecular Hydrogen Bonding in Conformational Preference and Hydrogen-Bond Acidity.

Published in:

ChemPhysChem, 2016, v. 17, n. 17, p. 2702, doi. 10.1002/cphc.201600453

By:

Bogdan, Elena;
Quarré de Verneuil, Alexis;
Besseau, François;
Compain, Guillaume;
Linclau, Bruno;
Le Questel, Jean‐Yves;
Graton, Jérôme

Publication type:

Article

A Joint Theoretical and Experimental Study of the Behavior of the DIDS Inhibitor and its Derivatives.

Published in:

ChemPhysChem, 2016, v. 17, n. 15, p. 2434, doi. 10.1002/cphc.201600107

By:

Jaunet‐Lahary, Titouan;
Goupille, Anaïs;
Jacquemin, Denis;
Fleury, Fabrice;
Graton, Jérôme;
Laurent, Adèle D.

Publication type:

Article

Similar Comparative Low and High Doses of Deltamethrin and Acetamiprid Differently Impair the Retrieval of the Proboscis Extension Reflex in the Forager Honey Bee (Apis mellifera).

Published in:

Insects (2075-4450), 2015, v. 6, n. 4, p. 805, doi. 10.3390/insects6040805

By:

Thany, Steeve H.;
Bourdin, Céline M.;
Graton, Jérôme;
Laurent, Adèle D.;
Mathé-Allainmat, Monique;
Lebreton, Jacques;
Le Questel, Jean-Yves

Publication type:

Article

Liaison hydrogène des arylamines : compétition des sites π et N.

Published in:

Canadian Journal of Chemistry, 2004, v. 82, n. 9, p. 1413, doi. 10.1139/V04-128

By:

Marquis, Eric;
Graton, Jérôme;
Berthelot, Michel;
Planchat, Aurélien;
Laurence, Christian

Publication type:

Article

L'échelle pK[sub HB] de basicité de liaison hydrogène des amines tertiaires aliphatiques.

Published in:

Canadian Journal of Chemistry, 2002, v. 80, n. 10, p. 1375, doi. 10.1139/v02-176

By:

Graton, Jérôme;
Besseau, François;
Berthelot, Michel;
Laurence, Christian;
Raczyńska, Ewa D.

Publication type:

Article

An Unexpected and Significantly Lower Hydrogen-Bond-Donating Capacity of Fluorohydrins Compared to Nonfluorinated Alcohols.

Published in:

Angewandte Chemie International Edition, 2012, v. 51, n. 25, p. 6176, doi. 10.1002/anie.201202059

By:

Graton, Jérôme;
Wang, Zhong;
Brossard, Anne-Marie;
Gonçalves Monteiro, Daniela;
Le Questel, Jean-Yves;
Linclau, Bruno

Publication type:

Article

Pretreatment of the cockroach cercal afferent/giant interneuron synapses with nicotinoids and neonicotinoids differently affects acetylcholine and nicotine-induced ganglionic depolarizations.

Published in:

Invertebrate Neuroscience, 2013, v. 13, n. 2, p. 91, doi. 10.1007/s10158-013-0151-3

By:

Yassine, Benzidane;
Leray, Xavier;
Falaise, Charlotte;
Quinchard, Sophie;
Ceron-Carrasco, José Pedro;
Jacquemin, Denis;
Graton, Jérôme;
Le Questel, Jean-Yves;
Thany, Steeve H.

Publication type:

Article

Structural Features and Hydrogen-Bond Properties of Galanthamine and Codeine: An Experimental and Theoretical Study.

Published in:

Chemistry - A European Journal, 2011, v. 17, n. 41, p. 11637, doi. 10.1002/chem.201100475

By:

Atkinson, Alexandre P.;
Baguet, Evelyne;
Galland, Nicolas;
Le Questel, Jean-Yves;
Planchat, Aurélien;
Graton, Jérôme

Publication type:

Article

The Diiodine Basicity Scale: Toward a General Halogen-Bond Basicity Scale.

Published in:

Chemistry - A European Journal, 2011, v. 17, n. 37, p. 10431, doi. 10.1002/chem.201101071

By:

Laurence, Christian;
Graton, Jérôme;
Berthelot, Michel;
El Ghomari, Mohamed J.

Publication type:

Article

A Theoretical Evaluation of the p K<sub>HB</sub> and Δ $H{{{\,\ominus}\hfill \atop {\rm HB}\hfill}}}$.

Published in:

Chemistry - A European Journal, 2008, v. 14, n. 34, p. 10656, doi. 10.1002/chem.200800977

By:

Besseau, François;
Graton, Jérôme;
Berthelot, Michel

Publication type:

Article

Hydrogen-Bond Interactions of Nicotine and Acetylcholine Salts: A Combined Crystallographic, Spectroscopic, Thermodynamic and Theoretical Study.

Published in:

Chemistry - A European Journal, 2007, v. 13, n. 5, p. 1499, doi. 10.1002/chem.200600808

By:

Arnaud, Virginie;
Berthelot, Michel;
Evain, Michel;
Graton, Jérôme;
Le Questel, Jean-Yves

Publication type:

Article

Relating Conformational Equilibria to Conformer‐Specific Lipophilicities: New Opportunities in Drug Discovery.

Published in:

Angewandte Chemie, 2022, v. 134, n. 7, p. 1, doi. 10.1002/ange.202114862

By:

Linclau, Bruno;
Wang, Zhong;
Jeffries, Benjamin;
Graton, Jérôme;
Carbajo, Rodrigo J.;
Sinnaeve, Davy;
Le Questel, Jean‐Yves;
Scott, James S.;
Chiarparin, Elisabetta

Publication type:

Article

Radical Cyclisation of α-Halo Aluminium Acetals: A Mechanistic Study.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 14, p. 4809, doi. 10.1002/chem.201504780

By:

Bénéteau, Romain;
Boussonnière, Anne;
Rouaud, Jean‐Christophe;
Lebreton, Jacques;
Graton, Jérôme;
Jacquemin, Denis;
Sebban, Muriel;
Oulyadi, Hassan;
Hamdoun, Ghanem;
Hancock, Amber N.;
Schiesser, Carl H.;
Dénès, Fabrice

Publication type:

Article

Intramolecular OH⋅⋅⋅Fluorine Hydrogen Bonding in Saturated, Acyclic Fluorohydrins: The γ-Fluoropropanol Motif.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 49, p. 17808, doi. 10.1002/chem.201503253

By:

Linclau, Bruno;
Peron, Florent;
Bogdan, Elena;
Wells, Neil;
Wang, Zhong;
Compain, Guillaume;
Fontenelle, Clement Q.;
Galland, Nicolas;
Le Questel, Jean ‐ Yves;
Graton, Jérôme

Publication type:

Article

Influence of Fluorination on the Conformational Properties and Hydrogen-Bond Acidity of Benzyl Alcohol Derivatives.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 32, p. 11462, doi. 10.1002/chem.201501171

By:

Bogdan, Elena;
Compain, Guillaume;
Mtashobya, Lewis;
Le Questel, Jean ‐ Yves;
Besseau, François;
Galland, Nicolas;
Linclau, Bruno;
Graton, Jérôme

Publication type:

Article

Cloning and Expression of Cockroach α7 Nicotinic Acetylcholine Receptor Subunit.

Published in:

Frontiers in Physiology, 2020, v. 11, p. 1, doi. 10.3389/fphys.2020.00418

By:

Cartereau, Alison;
Taillebois, Emiliane;
Selvam, Balaji;
Martin, Carine;
Graton, Jérôme;
Le Questel, Jean-Yves;
Thany, Steeve H.

Publication type:

Article

Insights into a highly conserved network of hydrogen bonds in the agonist binding site of nicotinic acetylcholine receptors: A structural and theoretical study.

Published in:

Proteins, 2014, v. 82, n. 10, p. 2303, doi. 10.1002/prot.24589

By:

Atkinson, Alexandre;
Graton, Jérôme;
Questel, Jean‐Yves

Publication type:

Article

Towards a Stronger Halogen Bond Involving Astatine: Unexpected Adduct with Bu<sub>3</sub>PO Stabilized by Hydrogen Bonding.

Published in:

Chemistry - A European Journal, 2020, v. 26, n. 17, p. 3713, doi. 10.1002/chem.201905389

By:

Liu, Lu;
Guo, Ning;
Champion, Julie;
Graton, Jérôme;
Montavon, Gilles;
Galland, Nicolas;
Maurice, Rémi

Publication type:

Article

Three-centre hydrogen bonding in the complexes of syn-2,4-difluoroadamantane with 4-fluorophenol and hydrogen fluoride.

Published in:

Journal of Physical Organic Chemistry, 2005, v. 18, n. 3, p. 227, doi. 10.1002/poc.813

By:

Adcock, William;
Graton, Jérôme;
Laurence, Christian;
Luçon, Maryvonne;
Trout, Neil

Publication type:

Article

Determination of the hydrogen-bond basicity of weak and multifunctional bases: the case of lindane (γ-hexachlorocyclohexane).

Published in:

Journal of Physical Organic Chemistry, 2004, v. 17, n. 1, p. 56

By:

Carole Ouvrard;
Maryvonne Luçon;
Jérôme Graton;
Michel Berthelot;
Christian Laurence

Publication type:

Article

Hydrogen-bond basicity of solutes in hydroxylic solvents from octanol-water partition coefficients.

Published in:

Journal of Physical Organic Chemistry, 2002, v. 15, n. 4, p. 218, doi. 10.1002/poc.472

By:

Berthelot, Michel;
Graton, Jérôme;
Ouvrard, Carole;
Laurence, Christian

Publication type:

Article