Jean-Yves LE QUESTEL Professeur des Universités, Nantes Université

Publications

Article dans une revue (77)

Unveiled Impact of 211 At-Labeled Compounds' Ability to Form Halogen Bonds on their In Vivo Stability Samuel D Mador,Thibault Yssartier,Jean-Yves Le Questel,Gilles Montavon,François Guérardet al. ACS Physical Chemistry Au, 2025, ⟨10.1021/acsphyschemau.5c00091⟩ Article dans une revue inserm-05387652v1
The Conformational Electrostatic Potential as Predictor for the Influence of Fluorination on Alcohol Hydrogen Bonding: Identification of a CF 2 H‐Mediated Cooperative Effect Zhong Wang,Guillaume Compain,Mrinal Naskar,Anaïs Goupille,Lewis Mtashobyaet al. ChemistryEurope, 2025, ⟨10.1002/ceur.202500203⟩ Article dans une revue hal-05368197v1
Navigating the complexities of docking tools with nicotinic receptors and acetylcholine binding proteins in the realm of neonicotinoids Zakaria Bouchouireb,Damien Olivier-Jimenez,Titouan Jaunet-Lahary,Steeve H Thany,Jean-Yves Le Questel Ecotoxicology and Environmental Safety, 2024, 281, pp.116582. ⟨10.1016/j.ecoenv.2024.116582⟩ Article dans une revue hal-04824048v1
Conformations and Physicochemical Properties of Biological Ligands in Various Environments Jean-Yves Le Questel International Journal of Molecular Sciences, 2023, 24 (11), pp.9630. ⟨10.3390/ijms24119630⟩ Article dans une revue hal-04897356v1
Development of CHARMM compatible force field parameters and molecular dynamics simulations for the pesticide flupyradifurone Zakaria Bouchouireb,Steeve Thany,Jean‐yves Le Questel Journal of Computational Chemistry, 2023, 45 (7), pp.377-391. ⟨10.1002/jcc.27245⟩ Article dans une revue hal-04836765v1
The pKBHX Hydrogen-Bond Basicity Scale: From Molecules to Anions Nicolas Galland,Christian Laurence,Jean-Yves Le Questel Journal of Organic Chemistry, 2022, 87 (11), pp.7264-7273. ⟨10.1021/acs.joc.2c00469⟩ Article dans une revue hal-04953508v1
Identification of a Gain-of-Function LIPC Variant as a Novel Cause of Familial Combined Hypocholesterolemia Wieneke Dijk,Mathilde Di-Filippo Charcosset,Sander Kooijman,Robin Van Eenige,Antoine Rimbertet al. Circulation, 2022, 146 (10), pp.724-739. ⟨10.1161/circulationaha.121.057978⟩ Article dans une revue inserm-03831077v1
Hydrogen-bond acidity of silanols : a combined experimental and theoretical study J. Graton,F. Besseau,A. Goupille,J.-Y. Le Questel Journal of Molecular Structure, 2022, 1266, pp.133505. ⟨10.1016/j.molstruc.2022.133505⟩ Article dans une revue hal-04948454v1
Conformation and structural features of diuron and irgarol: insights from quantum chemistry calculations Zakaria Bouchouireb,Rossana Sussarellu,Sabine Stachowski-Haberkorn,Jérôme Graton,Jean-Yves Le Questel Computational and Theoretical Chemistry, 2022, 1216, 113844 (10p.). ⟨10.1016/j.comptc.2022.113844⟩ Article dans une revue hal-04203862v1
Mode of Action of Neonicotinoid Insecticides Imidacloprid and Thiacloprid to the Cockroach Pameα7 Nicotinic Acetylcholine Receptor Alison Cartereau,Emiliane Taillebois,Jean-Yves Le Questel,Steeve H. Thany International Journal of Molecular Sciences, 2021, 22 (18), pp.9880. ⟨10.3390/ijms22189880⟩ Article dans une revue hal-05137474v1
An expanded halogen bonding scale using astatine Lu Liu,Seyfeddine Rahali,Rémi Maurice,Cecilia Gomez Pech,Gilles F Montavonet al. Chemical Science, 2021, 12 (32), pp.10855-10861. ⟨10.1039/d1sc02133h⟩ Article dans une revue hal-03312159v1
Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding Serigne Sarr,Julien Pilmé,Gilles F Montavon,Jean-Yves Le Questel,Nicolas Galland Molecules, 2021, 26 (15), pp.4568. ⟨10.3390/molecules26154568⟩ Article dans une revue hal-03346537v1
Cloning and Expression of Cockroach α7 Nicotinic Acetylcholine Receptor Subunit Alison Cartereau,Emiliane Taillebois,Balaji Selvam,Carine Martin,Jérôme Gratonet al. Frontiers in Physiology, 2020, 11, pp.418. ⟨10.3389/fphys.2020.00418⟩ Article dans une revue hal-03329825v1
Synergic effect of a quinuclidine benzamide complexed with borane, the LMA10233, in combination with seven pesticides Emiliane Taillebois,Alison Cartereau,Jérôme Graton,Jean-Yves Le Questel,Jacques Lebretonet al. Pesticide Biochemistry and Physiology, 2020, 168, pp.104633. ⟨10.1016/j.pestbp.2020.104633⟩ Article dans une revue hal-03027878v1
Systematic Investigation of Lipophilicity Modulation by Aliphatic Fluorination Motifs Benjamin Jeffries,Zhong Wang,Hannah Felstead,Jy. Le Questel,James Scottet al. Journal of Medicinal Chemistry, 2020, 63 (3), pp.1002-1031. ⟨10.1021/acs.jmedchem.9b01172⟩ Article dans une revue hal-03416697v1
Characterization of Steroids through Collision Cross Sections: Contribution of Quantum Chemistry Calculations Jérôme Graton,Maykel Hernández-Mesa,Samuel Normand,Gaud Dervilly,Jean-Yves Le Questelet al. Analytical Chemistry, 2020, 92 (8), pp.6034-6042. ⟨10.1021/acs.analchem.0c00357⟩ Article dans une revue hal-03185198v1
Questioning the Affinity of Electrophilic Astatine for Sulfur-containing Compounds: Unexpected Bindings Revealed Fadel Bassal,Julie Champion,Sylvain Pardoue,Mahamadou Seydou,Andrea Sabatié-Gogovaet al. Inorganic Chemistry, 2020, 59 (19), pp.13923-13932. ⟨10.1021/acs.inorgchem.0c01553⟩ Article dans une revue hal-03095946v1
Lipophilicity trends upon fluorination of isopropyl, cyclopropyl and 3-oxetanyl groups Benjamin Jeffries,Zhong Wang,Robert Troup,Anaïs Goupille,Jy. Le Questelet al. Beilstein Journal of Organic Chemistry, 2020, 16, pp.2141-2150. ⟨10.3762/bjoc.16.182⟩ Article dans une revue hal-03416670v1
IL-15Rα membrane-anchorage either in cis or in trans is required for stabilization of IL-15 and optimal signaling Agnès Quéméner,Sébastien Morisseau,Rui P Sousa,Kilian Trillet,Mike Maillassonet al. Journal of Cell Science, 2019, Epub ahead of print. ⟨10.1242/jcs.236802⟩ Article dans une revue inserm-02345095v1
Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose Lucas Quiquempoix,Zhong Wang,Jérôme Graton,Peter G. Latchem,Mark Lightet al. Journal of Organic Chemistry, 2019, 84 (9), pp.5899-5906. ⟨10.1021/acs.joc.9b00310⟩ Article dans une revue hal-02419527v1
3,4-Dideoxy-3,3,4,4-tetrafluoro- and 4-OH epimeric 3-deoxy-3,3-difluoro-α-GalCer analogues: Synthesis and biological evaluation on human iNKT cells stimulation Samuel Golten,Allan Patinec,Katy Akoumany,Jézabel Rocher,Jérôme Gratonet al. European Journal of Medicinal Chemistry, 2019, 178, pp.195-213. ⟨10.1016/j.ejmech.2019.05.069⟩ Article dans une revue hal-03086847v1
Mode of action of sulfoxaflor on α-bungarotoxin-insensitive nAChR1 and nAChR2 subtypes: Inhibitory effect of imidacloprid Jean-Noel Houchat,Basile Moambi Dissanamossi,Elodie Landagaray,Monique Mathé-Allainmat,Alison Cartereauet al. NeuroToxicology, 2019, 74, pp.132-138. ⟨10.1016/j.neuro.2019.06.003⟩ Article dans une revue hal-02620766v1
Di- and heptavalent nicotinic analogues to interfere with alpha 7 nicotinic acetylcholine receptors Yoan Brissonnet,Rómulo Aráoz,Rui Sousa,Lucie Percevault,Sami Brumentet al. Bioorganic and Medicinal Chemistry, 2019, 27 (5), pp.700-707. ⟨10.1016/j.bmc.2019.01.013⟩ Article dans une revue hal-02140859v1
Mechanistic and Structural Insights on the IL-15 System through Molecular Dynamics Simulations Rui P Sousa,Adèle Laurent,Agnès Quéméner,Erwan Mortier,Jean-Yves Le Questel Molecules, 2019, 24 (18), pp.3261. ⟨10.3390/molecules24183261⟩ Article dans une revue inserm-02289307v1
Binding of Sulfoxaflor to Aplysia californica -AChBP: Computational Insights from Multiscale Approaches Zakaria Alamiddine,Balaji Selvam,Jérôme Graton,Adèle Laurent,Elodie Landagarayet al. Journal of Chemical Information and Modeling, 2019, 59 (9), pp.3755-3769. ⟨10.1021/acs.jcim.9b00272⟩ Article dans une revue hal-02314990v1
Conformations and Binding Properties of Thiametoxam and Clothianidin Neonicotinoid Insecticides to Nicotinic Acetylcholine Receptors: The Contribution of sigma-Hole Interactions Zakaria Alamiddine,Steeve Thany,Jérôme Graton,Jean-Yves Le Questel ChemPhysChem, 2018, 19 (22), pp.3069-3083. ⟨10.1002/cphc.201800656⟩ Article dans une revue hal-02140877v1
Spin–orbit coupling as a probe to decipher halogen bonding Jérôme Graton,Seyfeddine Rahali,Jean-Yves Le Questel,Gilles F Montavon,Julien Pilméet al. Physical Chemistry Chemical Physics, 2018, 20 (47), pp.29616-29624. ⟨10.1039/C8CP05690K⟩ Article dans une revue hal-02004385v1
Reducing the Lipophilicity of Perfluoroalkyl Groups by CF2-F/CF2-Me or CF3/CH3 Exchange Benjamin Jeffries,Zhong Wang,Jérôme Graton,Simon D. Holland,Thomasin Brindet al. Journal of Medicinal Chemistry, 2018, 61 (23), pp.10602-10618. ⟨10.1021/acs.jmedchem.8b01222⟩ Article dans une revue hal-02140875v1
Permethrin enhances the agonist activity of dinotefuran on insect cholinergic synaptic transmission and isolated neurons Alison Cartereau,Jean-Noel Houchat,Safa Mannai,Marie Varloud,Hamadi Karembeet al. Neurotoxicology, 2018, 67 (7), pp.206-214. ⟨10.1016/j.neuro.2018.06.003⟩ Article dans une revue hal-02140937v1
Quantum calculations of At-mediated halogen bonds: on the influence of relativistic effects Nicolas Galland,Gilles F Montavon,Jean-Yves Le Questel,Jérôme Graton New Journal of Chemistry, 2018, 42 (13), pp.10510-10517. ⟨10.1039/C8NJ00484F⟩ Article dans une revue hal-02004380v1
Sulfoximine derivative, sulfoxaflor, activates imidacloprid-sensitive nicotinic acetylcholine receptors on insect neurosecretory cells Basile Moambi,Jean-Noel Houchat,Alison Cartereau,Monique Mathé-Allainmat,Jacques Lebretonet al. Abstracts of Papers of the American Chemical Society, 2018, 256 Article dans une revue hal-02140930v1
Influence of Alcohol beta-Fluorination on Hydrogen-Bond Acidity of Conformationally Flexible Substrates Jérôme Graton,Guillaume Compain,François Besseau,Elena Bogdan,Joseph M. Wattset al. Chemistry - A European Journal, 2017, 23 (12), pp.2811-2819. ⟨10.1002/chem.201604940⟩ Article dans une revue hal-02141307v1
A Study of Intramolecular Hydrogen Bonding in Levoglucosan Derivatives Lucas Quiquempoix,Elena Bogdan,Neil J. Wells,Jy. Le Questel,Jérôme Gratonet al. Molecules, 2017, 22 (4), ⟨10.3390/molecules22040518⟩ Article dans une revue hal-02141297v1
New insights on the structural and molecular recognition properties of insecticides through computational chemistry: The challenging case of sulfoxaflor Jean-Yves Le Questel,Zakaria Alamiddine,Jérôme Graton Abstracts of Papers of the American Chemical Society, 2016, 252 Article dans une revue hal-02141353v1
Neonicotinoids viewed from a computational chemistry perspective: Conformations, interaction sites and binding to a 3D model of insect nAChR Jean-Yves Le Questel,Zakaria Alamiddine,Jérôme Graton Abstracts of Papers of the American Chemical Society, 2016, 252 Article dans une revue hal-02141354v1
alpha-Fluoro-o-cresols: The Key Role of Intramolecular Hydrogen Bonding in Conformational Preference and Hydrogen-Bond Acidity Elena Bogdan,Alexis Quarre De Verneuil,Francois Besseau,Guillaume Compain,Bruno Linclauet al. ChemPhysChem, 2016, 17 (17), pp.2702-2709. ⟨10.1002/cphc.201600453⟩ Article dans une revue hal-02141349v1
Hydrogen-Bond Accepting Properties of New Heteroaromatic Ring Chemical Motifs: A Theoretical Study Paul Popelier,Jérôme Graton,Jean-Yves Le Questel,Peter Maxwell Journal of Chemical Information and Modeling, 2016, 56 (2), pp.322-334. ⟨10.1021/acs.jcim.5b00574⟩ Article dans une revue hal-02141567v1
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) Steeve Hervé Thany,Céline Bourdin,Jérôme Graton,Adèle Laurent,Monique Mathé-Allainmatet al. Insects, 2015, 6 (4), pp.805-814. ⟨10.3390/insects6040805⟩ Article dans une revue hal-01392622v1
Intramolecular OH center dot center dot center dot Fluorine Hydrogen Bonding in Saturated, Acyclic Fluorohydrins: The gamma-Fluoropropanol Motif Bruno Linclau,Florent Peron,Elena Bogdan,Neil Wells,Zhong Wanget al. Chemistry - A European Journal, 2015, 21 (49), pp.17808-17816. ⟨10.1002/chem.201503253⟩ Article dans une revue hal-02141598v1
Imidacloprid and thiacloprid neonicotinoids bind more favourably to cockroach than to honeybee alpha 6 nicotinic acetylcholine receptor: Insights from computational studies Balaji Selvam,Jérôme Graton,Adele D. Laurent,Zakaria Alamiddine,Monique Mathé-Allainmatet al. Journal of Molecular Graphics and Modelling, 2015, 55, pp.1-12. ⟨10.1016/j.jmgm.2014.10.018⟩ Article dans une revue istex hal-01389003v1
Predictive Models for Halogen-bond Basicity of Binding Sites of Polyfunctional Molecules Marta Glavatskikh,Timur Madzhidov,Vitaly Solovyev,Gilles Marcou,Dragos Horvathet al. Molecular Informatics, 2015, 35 (2), pp.70-80. ⟨10.1002/minf.201500116⟩ Article dans une revue istex hal-03151665v1
Molecular features and toxicological properties of four common pesticides, acetamiprid, deltamethrin, chlorpyriphos and fipronil Emiliane Taillebois,Zakaria Alamiddine,Christine Brazier,Jérôme Graton,Adele D. Laurentet al. Bioorganic and Medicinal Chemistry, 2015, 23 (7), pp.1540-1550. ⟨10.1016/j.bmc.2015.02.006⟩ Article dans une revue hal-01389010v1
Molecular recognition of thiaclopride by Aplysia californica AChBP: new insights from a computational investigation Zakaria Alamiddine,Balaji Selvam,Jose P. Ceron-Carrasco,Monique Mathé-Allainmat,Jacques Lebretonet al. Journal of Computer-Aided Molecular Design, 2015, 29 (12), pp.1151-1167. ⟨10.1007/s10822-015-9884-x⟩ Article dans une revue hal-01389009v1
Dissymmetric Molecular Tweezers in Host–Guest Complexes: Internal or External Complexation? Titouan Jaunet-Lahary,Denis Jacquemin,Béatrice Legouin,Jean-Yves Le Questel,Jean-François Cupifet al. Journal of Physical Chemistry C, 2015, 119 (7), pp.3771-3779. ⟨10.1021/jp511418d⟩ Article dans une revue hal-01116154v1
Effect of fluorine introduction on hydrogen bond donating capacity of alcohols Guillaume Compain,Zhong Wang,Lewis A. Mtashobya,Jérôme Graton,Jean-Yves Le Questelet al. Abstracts of Papers of the American Chemical Society, 2014, 248 Article dans une revue hal-02142163v1
Insights into a highly conserved network of hydrogen bonds in the agonist binding site of nicotinic acetylcholine receptors: A structural and theoretical study Alexandre Atkinson,Jérôme Graton,Jean-Yves Le Questel Proteins - Structure, Function and Bioinformatics, 2014, 82 (10), pp.2303-2317. ⟨10.1002/prot.24589⟩ Article dans une revue istex hal-02142158v1
Individual Hydrogen-Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional Molecules Fiorella Ruggiu,Vitaly Solovyev,Gilles Marcou,Dragos Horvath,Jérôme Gratonet al. Molecular Informatics, 2014, 33 (6-7), pp.477-487. ⟨10.1002/minf.201400032⟩ Article dans une revue istex hal-03150657v1
Observation on how intramolecular hydrogen bonding of alcohol with fluorine affects its intermolecular hydrogen bonding with acceptors Guillaume Compain,Zhong Wang,Lewis Atugonza Mtashobya,Jérôme Graton,Jean-Yves Le Questelet al. Abstracts of Papers of the American Chemical Society, 2014, 248 Article dans une revue hal-02142255v1
Fluorescent carboxylic and phosphonic acids: comparative photophysics from solution to organic nanoparticles Adrien Faucon,Romaric Lenk,Julie Hemez,Eric Gautron,Denis Jacqueminet al. Physical Chemistry Chemical Physics, 2013, 15 (30), pp.12748. ⟨10.1039/c3cp51369f⟩ Article dans une revue hal-00972598v1
New Insights on the Molecular Recognition of Imidacloprid with Aplysia californica AChBP: A Computational Study Jose P. Ceron-Carrasco,Denis Jacquemin,Jerôme Graton,Steeve Thany,Jean-Yves Le Questel Journal of Physical Chemistry B, 2013, 117 (15), pp.3944-3953. ⟨10.1021/jp310242n⟩ Article dans une revue hal-02648266v1
Hydrogen-Bond Acidity of OH Groups in Various Molecular Environments (Phenols, Alcohols, Steroid Derivatives, and Amino Acids Structures): Experimental Measurements and Density Functional Theory Calculations Jérôme Graton,Francois Besseau,Anne-Marie Brossard,Eloise Charpentier,Arnaud Derocheet al. Journal of Physical Chemistry A, 2013, 117 (49), pp.13184-13193. ⟨10.1021/jp410027h⟩ Article dans une revue hal-02142384v1
Pretreatment of the cockroach cercal afferent/giant interneuron synapses with nicotinoids and neonicotinoids differently affects acetylcholine and nicotine-induced ganglionic depolarizations Benzidane Yassine,Xavier Leray,Charlotte Falaise,Sophie Quinchard,José Pedro Ceron-Carrascoet al. Invertebrate Neuroscience, 2013, 13 (2), pp.91-97. ⟨10.1007/s10158-013-0151-3⟩ Article dans une revue istex hal-02268785v1
Mapping of the interaction sites of galanthamine: a quantitative analysis through pairwise potentials and quantum chemistry Nicolas Galland,Soleymane Kone,Jean-Yves Le Questel JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2012, 26 (10), pp.1111-1126. ⟨10.1007/s10822-012-9602-x⟩ Article dans une revue istex hal-02142683v1
A DFT-D evaluation of the complexation of a molecular tweezer with small aromatic molecules Jérôme Graton,Jean-Yves Le Questel,Béatrice Legouin,Philippe Uriac,Pierre van de Wegheet al. Chemical Physics Letters, 2012, 522, pp.11-16. ⟨10.1016/J.CPLETT.2011.11.076⟩ Article dans une revue istex hal-00841527v1
An Unexpected and Significantly Lower Hydrogen-Bond-Donating Capacity of Fluorohydrins Compared to Nonfluorinated Alcohols Jérôme Graton,Zhong Wang,Anne-Marie Brossard,Daniela Goncalves Monteiro,Jean-Yves Le Questelet al. Angewandte Chemie International Edition, 2012, 51 (25), pp.6176-6180. ⟨10.1002/anie.201202059⟩ Article dans une revue hal-02142712v1
Study of N1-alkylation of indoles from the reaction of 2(or 3)-aminoindole-3-(or 2)carbonitriles with DMF-dialkylacetals Yvonnick Loidreau,Sigismund Melissen,Vincent Levacher,Cédric Logé,Jérôme Gratonet al. Organic & Biomolecular Chemistry, 2012, 10 (25), pp.4916-4925. ⟨10.1039/c2ob25747e⟩ Article dans une revue hal-00997070v1
3-Fluoro- and 3,3-Difluoro-3,4-dideoxy-KRN7000 Analogues as New Potent Immunostimulator Agents: Total Synthesis and Biological Evaluation in Human Invariant Natural Killer T Cells and Mice Julie Hunault,Mette Diswall,Jean-Cédric Frison,Virginie Blot,Jézabel Rocheret al. Journal of Medicinal Chemistry, 2012, 55 (3), pp.1227-1241. ⟨10.1021/jm201368m⟩ Article dans une revue hal-00700075v1
Molecular Tweezers in Host-Guest Complexes: A Computational Study through a DFT-D Approach Jérôme Graton,Béatrice Legouin,François Besseau,Philippe Uriac,Jean-Yves Le Questelet al. Journal of Physical Chemistry C, 2012, 116 (43), pp.23067-23074. ⟨10.1021/jp307188q⟩ Article dans une revue hal-00841791v1
Structural features and protonation site of epibatidine in the gas phase: an investigation through infrared multiphoton dissociation spectroscopy and computational chemistry A.P. Atkinson,A. Planchat,Jérôme Graton,Eric Renault,Gilles Grégoireet al. Physical Chemistry Chemical Physics, 2011, 13 (6), pp.2272-2277. ⟨10.1039/c0cp01605e⟩ Article dans une revue hal-00640011v1
Structural Features and Hydrogen-Bond Properties of Galanthamine and Codeine: An Experimental and Theoretical Study Alexandre P. Atkinson,Evelyne Baguet,Nicolas Galland,Jean-Yves Le Questel,Aurélien Planchatet al. Chemistry - A European Journal, 2011, 17 (41), pp.11637-11649. ⟨10.1002/chem.201100475⟩ Article dans une revue istex hal-02143156v1
New insights on the molecular features and electrophysiological properties of dinotefuran, imidacloprid and acetamiprid neonicotinoid insecticides Jean-Yves Le Questel,Jérôme Graton,Jose P. Ceron-Carrasco,Denis Jacquemin,Aurelien Planchatet al. Bioorganic and Medicinal Chemistry, 2011, 19 (24), pp.7623-7634. ⟨10.1016/j.bmc.2011.10.019⟩ Article dans une revue istex hal-02143148v1
Theoretical Study of the Structures and Hydrogen-Bond Properties of New Alternated Heterocyclic Compounds Alexandra Tabatchnik,Virginie Blot,Muriel Pipelier,Didier Dubreuil,Renault Ericet al. Journal of Physical Chemistry A, 2010, 114 (22), pp.6413-6422. ⟨10.1021/jp101394t⟩ Article dans une revue hal-02143498v1
An Enthalpic Scale of Hydrogen-Bond Basicity. 4. Carbon pi Bases, Oxygen Bases, and Miscellaneous Second-Row, Third-Row, and Fourth-Row Bases and a Survey of the 4-Fluorophenol Affinity Scale Christian Laurence,Jérôme Graton,Michel Berthelot,Francois Besseau,Jean-Yves Le Questelet al. Journal of Organic Chemistry, 2010, 75 (12), pp.4105-4123. ⟨10.1021/jo100461z⟩ Article dans une revue hal-02143496v1
Electrochemical synthesis and characterisation of alternating tripyridyl-dipyrrole molecular strands with multiple nitrogen-based donor-acceptor binding sites. Alexandra Tabatchnik-Rebillon,Christophe Aubé,Hicham Bakkali,Thierry Delaunay,Gabriel Thia Manhet al. Chemistry - A European Journal, 2010, 16 (39), pp.11876-89. ⟨10.1002/chem.201000859⟩ Article dans une revue istex hal-00742561v1
Hydrogen-Bond Accepting Strength of Five-Membered N-Heterocycles: The Case of Substituted Phenylpyrrolines and Myosmines Virginie Arnaud,Michel Berthelot,Francois-Xavier Felpin,Jacques Lebreton,Jean-Yves Le Questelet al. European Journal of Organic Chemistry, 2009, 29, pp.4939-4948. ⟨10.1002/ejoc.200900569⟩ Article dans une revue istex hal-02143935v1
The pK(BHX) Database: Toward a Better Understanding of Hydrogen-Bond Basicity for Medicinal Chemists Christian Laurence,Ken A. Brameld,Jérôme Graton,Jean-Yves Le Questel,Renault Eric Journal of Medicinal Chemistry, 2009, 52 (14), pp.4073-4086. ⟨10.1021/jm801331y⟩ Article dans une revue hal-02143938v1
Hydrogen-bond interactions of nicotine and acetylcholine salts: A combined crystallographic, spectroscopic, thermodynamic and theoretical study V. Arnaud,M. Berthelot,M. Evain,J. Graton,J. Y. Le Questel Chemistry - A European Journal, 2007, 13 (5), pp.1499-1510 Article dans une revue hal-00320935v1
The exceptional hydrogen-bond properties of neutral and protonated lobeline A. Locati,M. Berthelot,Michel Evain,J. Lebreton,J.Y. Le Questelet al. Journal of Physical Chemistry A, 2007, 111 (28), pp.6397-6405. ⟨10.1021/jp071632b⟩ Article dans une revue istex hal-00383761v1
Hydrogen-bond interactions of nicotine and acetylcholine salts: A combined crystallographic, spectroscopic, thermodynamic and theoretical study V. Arnaud,M. Berthelot,Michel Evain,J. Graton,J.Y. Le Questel Chemistry - A European Journal, 2007, 13 (5), pp.1499. ⟨10.1002/chem.200600808⟩ Article dans une revue istex hal-00379939v1
Structural features of neutral and protonated galanthamine: A crystallographic database and computational investigation S. Kone,N. Galland,J. Graton,Bertrand Illien,C. Laurenceet al. Chemical Physics, 2006, 328(1-3), pp.307-317. ⟨10.1016/j.chemphys.2006.07.024⟩ Article dans une revue istex hal-00112118v1
Structural features of neutral and protonated galanthamine: A crystallographic database and computational investigation S. Kone,N. Galland,J. Graton,Bertrand Illien,C. Laurenceet al. Chemical Physics, 2006, 328, pp.307-317 Article dans une revue hal-00320910v1
The crystal and molecular structures of 4-cyanophenyl 1,5-dithio-beta-D-xylopyranoside S-5 oxide and 4-ethyl-2-oxo-2H-1-benzopyran-7-yl 5-thio-beta-D-xylopyranoside S-5 oxide J.Y. Le Questel,N. Mouhous-Riou,B. Boubia,V. Barberousse,Sarah Perez Carbohydrate Research, 1997, 302, pp.53-66 Article dans une revue hal-02685511v1
The crystal and molecular structures of 4-cyanophenyl 1,5-dithio-β-D-xylopyranoside S-5 oxide and 4-ethyl-2-oxo-2H-1-benzopyran-7-yl 5-thio-β-D-xylopyranoside S-5 oxide J.Y. Le Questel,N. Mouhous-Riou,B. Boubia,S. Samreth,V. Barberousseet al. Carbohydrate Research, 1997, pp.53-66 Article dans une revue hal-00309883v1
Molecular structure of (4(4-cyanobenzoyl) phenyl) 1,5-dithio-beta-D-xylopyranoside (naroparcil) in the solid state and in solution : an investigation by X-ray crystallography, molecular mechanics calculations, and NMR spectroscopy J.Y. Le Questel,N. Mouhous-Riou,Sarah Perez Carbohydrate Research, 1996, 284, pp.35-49 Article dans une revue hal-02694819v1
The crystal and molecular structure of 4-cyanophenyl 5-thio-beta-D-xylopyranoside J.Y. Le Questel,N. Mouhous-Riou,Sarah Perez Carbohydrate Research, 1995, 268, pp.127-133 Article dans une revue hal-02705757v1
Computer modelling of sulfated carbohydrates : applications to carrageenans J.Y. Le Questel,Sylvain Cros,W. Mackie,Sarah Perez International Journal of Biological Macromolecules, 1995, 17 (3-4), pp.161-175 Article dans une revue hal-02706139v1
The crystal and molecular structure of 4-cyanophenyl beta-D-xylopyranosides J.Y. Le Questel,N. Mouhous-Riou,Sarah Perez Carbohydrate Research, 1994, 265 (2), pp.291-298 Article dans une revue hal-02707000v1

Communication dans un congrès (7)

Caractérisation de la toxicité des insecticides néonicotinoïdes à l’échelle microscopique : que peut-on apprendre de la modélisation moléculaire ? Rémi Gojard,Zakaria Bouchouireb,Nicolas Galland,Jy. Le Questel Journées Scientifiques 2025 de Nantes Université, May 2025, Nantes, France Communication dans un congrès hal-05361614v1
Impact of halogen bonding on stability of astatine-211 labelled compounds Samuel Danladi Mador,Thibault Yssartier,François Guérard,Jy. Le Questel,Gilles F Montavonet al. 2èmes Journées scientifiques du GDR Sigma-Hole, Jun 2025, Orsay, France Communication dans un congrès hal-05361583v1
Towards a broad understanding of PCA homologue groups response factors via the study of the LC-ESI-HRMS and GC-ECNI-HRMS couplings and Density Functional Theory calculations (DFT). Cherine Amoura,Ronan Cariou,Bruno Le Bizec,Jy. Le Questel,Emmanuelle Bichon Dioxin 2023 43rd International Symposium on Halogenated Persistent Organic Pollutants, Sep 2023, Maastricht (Pays-Bas), Netherlands Communication dans un congrès hal-05369232v1
Liaison halogène impliquant l’astate : échelle expérimentale de basicité et caractérisation théorique Gilles F Montavon,Jy. Le Questel,Nicolas Galland Journée scientifique autour de l'étude de liaisons non-covalentes impliquant un sigma-hole, Mar 2023, Strasbourg, France Communication dans un congrès hal-05367575v1
In vivo stability of 211At-radiopharmaceuticals: on the impact of halogen bond formation Thibault Yssartier,Jy. Le Questel,Gilles F Montavon,Nicolas Galland Journées Théorie, Modélisation et Simulations (JTMS 2022), Oct 2022, Rennes, France Communication dans un congrès hal-05367590v1
CHARMM FFs parameterization for Flupyradifurone: an in-depth dive in the optimization maze! Zakaria Bouchouireb,Jy. Le Questel Journée du Pôle Ouest 2022 du Réseau Français de Chimie Théorique, Pôle Ouest du Réseau Français de Chimie Théorique, Nov 2022, Nantes, France Communication dans un congrès hal-05369124v1
Halogen bond interactions involving 211At-radiopharmaceuticals: indications of influence on in vivo stability Thibault Yssartier,Jy. Le Questel,Gilles F Montavon,Nicolas Galland Journée scientifique du Pôle Ouest du Réseau Français de Chimie Théorique, Nov 2022, Nantes, France Communication dans un congrès hal-05367592v1

Brevet (1)

Preparation of sulfonyl pyrrolidines and pyrrolidinyl sulfonyl pyridines as new selective modulators of insect nicotinic acetylcholine receptors Monique Mathe-Allainmat,Jean-Yves Le Questel,Jerome Graton,Adèle D. Laurent,Alison Cartereauet al. France, Patent n° : WO2020094754 A1 2020-05-14. 2020 Brevet hal-05483346v1

Poster de conférence (2)

The role of water molecules of the first solvation shell in modelling ligand-exchange reactions leading to AtO+ hydrolyzed species Dumitru-Claudiu Sergentu,A. Sabatie-Gogova,Julie Champion,J. Y. Le Questel,Gilles F Montavonet al. WATOC 2014, Oct 2014, Santiago, Chile Poster de conférence in2p3-01075918v1
Theoretical investigation of the AtO&lt;sup&gt;+&lt;/sup&gt; hydrolyzed species in ligand-exchange reactions including solvation effects Dumitru-Claudiu Sergentu,Julie Champion,A. Sabatie-Gogova,J. Y. Le Questel,Rémi Mauriceet al. 6emes Journées de l'Ecole Doctorale 3MPL, Jun 2014, Nantes, France Poster de conférence in2p3-01154127v1