Personnel de l'université

Jérôme GRATON

Maître de Conférences

Coordonnées

Faculté des Sciences & Techniques de Nantes 2, rue de la Houssinière - BP 92208 44322 NANTES - Cedex 3

Tél
0276645168 (n° interne : 455168)
Fax
02 51 12 55 67
Mail
Jerome.Graton@univ-nantes.fr

Discipline(s) enseignée(s)

Chimie Physique

Thèmes de recherche

Caractérisation énergétique et structurale des interactions moléculaires par liaison hydrogène, par spectroscopie infrarouge et modélisation moléculaire. Application aux molécules d'intérêt biologique.

Informations complémentaires

Publications.

(27)  New insights on the molecular features and electrophysiological properties of dinotefuran, imidacloprid and acetamiprid neonicotinoid insecticides.

Le Questel, J.-Y.; Graton, J.; Ceron-Carrasco, J. P.; Jacquemin, D.; Planchat, A.; Thany, S. H., Bioorg. Med. Chem. 2011, 19, 7623-7634.

(26)  An Overview of Lewis Basicity and Affinity Scales.

Laurence, C.; Graton, J.; Gal, J.-F., J. Chem. Educ. 2011, 88, 1651-1657.

(25)  Can Quantum-Mechanical Calculations Yield Reasonable Estimates of Hydrogen-Bonding Acceptor Strength? The Case of Hydrogen-Bonded Complexes of Methanol.

Kone, M.; Illien, B.; Laurence, C.; Graton, J., J. Phys. Chem. A 2011, 115, 13975-13985.

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

Atkinson, A. P.; Baguet, E.; Galland, N.; Le Questel, J.-Y.; Planchat, A.; Graton, J., Chem. Eur. J. 2011, 11637-11649.

(23)  Structural features and protonation site of epibatidine in the gas phase: an investigation through infrared multiphoton dissociation spectroscopy and computational chemistry.

Atkinson, A. P.; Planchat, A.; Graton, J.; Renault, E.; Gregoire, G.; Le Questel, J.-Y., Phys. Chem. Chem. Phys. 2011, 13, 2272-2277.

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

Laurence, C.; Graton, J.; Berthelot, M.; El Ghomari, M. J., Chem. Eur. J. 2011, 17, 10431-10444.

(21)  An Enthalpic Scale of Hydrogen-Bond Basicity. 4. Carbon Bases,Oxygen Bases, and Miscellaneous Second-Row, Third-Row, and Fourth-Row Bases and a Survey of the 4-Fluorophenol Affinity Scale.

Laurence, C.; Graton, J.; Berthelot, M.; Besseau, F.; Le Questel, J.-Y.; Lucon, M.; Ouvrard, C.; Planchat, A.; Renault, E., J. Org. Chem. 2010, 75, 4105-4123.

(20)  Hydrogen-Bond Accepting Strength of Five-Membered N-Heterocycles:The Case of Substituted Phenylpyrrolines and Myosmines.

Arnaud, V.; Berthelot, M.; Felpin, F.-X.; Lebreton, J.; Le Questel, J.-Y.; Graton, J., Eur. J. Org. Chem. 2009, 4939-4948.

(19)  The pKBHX Database: Toward a Better Understanding of Hydrogen-Bond Basicity for Medicinal Chemists.

Laurence, C.; Brameld, K. A.; Graton, J.; Le Questel, J.-Y.; Renault, E., J. Med. Chem. 2009, 52, 4073-4086.

(18)  A theoretical evaluation of the pKHB and DHHB hydrogen-bond scales of nitrogen bases.

Besseau, F.; Graton, J.; Berthelot, M., Chem. Eur. J. 2008, 14, 10656-10669.

(17)  Functionalized 2,5-dipyridinylpyrroles by electrochemical reduction of 3,6-dipyridinylpyridazine precursors.

Bakkali, H.; Marie, C.; Ly, A.; Thobie-Gautier, C.; Graton, J.; Pipelier, M.; Sengmany, S.; Leonel, E.; Nedelec, J.-Y.; Evain, M.; Dubreuil, D., Eur. J. Org. Chem. 2008, 2156-2166.

(16)  Hydrogen-bond interactions of nicotine and acetylcholine salts: a combined crystallographic, spectroscopic, thermodynamic and theoretical study.

Arnaud, V.; Berthelot, M.; Evain, M.; Graton, J.; Le Questel, J.-Y., Chem. Eur. J. 2007, 13, 1499-1510.

(15)  The Exceptional Hydrogen-Bond Properties of Neutral and Protonated Lobeline.

Locati, A.; Berthelot, M.; Evain, M.; Lebreton, J.; Le Questel, J.-Y.; Mathe-Allainmat, M.; Planchat, A.; Renault, E.; Graton, J., J. Phys. Chem. A 2007, 111, 6397-6405.

(14)  Structural features of neutral and protonated galanthamine: A crystallographic database and computational investigation.

Kone, S.; Galland, N.; Graton, J.; Illien, B.; Laurence, C.; Guillou, C.; Le Questel, J.-Y., Chem. Phys. 2006, 328, 307-317.

(13)  An Enthalpic Scale of Hydrogen-Bond Basicity. 3. Ammonia, Primary, Secondary, and Tertiary Amines.

Graton, J.; Berthelot, M.; Besseau, F.; Laurence, C., J. Org. Chem. 2005, 70, 7892-7901.

(12)  B3LYP and MP2 Calculations of the Enthalpies of Hydrogen-Bonded Complexes of Methanol with Neutral Bases and Anions: Comparison with Experimental Data.

Kone, M.; Illien, B.; Graton, J.; Laurence, C., J. Phys. Chem. A 2005, 109, 11907-11913.

(11)  Three-center hydrogen bonding in the complexes of syn-2,4-difluoroadamantane with 4-fluorophenol and hydrogen fluoride.

Adcock, W.; Graton, J.; Laurence, C.; Lucon, M.; Trout, N., J. Phys. Org. Chem. 2005, 18, 227-234.

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

Ouvrard, C.; Lucon, M.; Graton, J.; Berthelot, M.; Laurence, C., J. Phys. Org. Chem. 2004, 17, 56-64.

(9)  Hydrogen bonding of arylamines: Competition of pi and N sites.

Marquis, E.; Graton, J.; Berthelot, M.; Planchat, A.; Laurence, C., Can. J. Chem.2004, 82, 1413-1422.

(8)  Interference between the Hydrogen Bonds to the Two Rings of Nicotine.

Graton, J.; Van Mourik, T.; Price, S. L., J. Am. Chem. Soc. 2003, 125, 5988-5997.

(7)  The Nicotinic Pharmacophore: Thermodynamics of the Hydrogen-Bonding Complexation of Nicotine, Nornicotine, and Models.

Graton, J.; Berthelot, M.; Gal, J.-F.; Laurence, C.; Lebreton, J.; Le Questel, J.-Y.; Maria, P.-C.; Robins, R., J. Org. Chem. 2003, 68, 8208-8221.

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

Berthelot, M.; Graton, J.; Ouvrard, C.; Laurence, C., J. Phys. Org. Chem. 2002, 15, 218-228.

(5)  Site of Protonation of Nicotine and Nornicotine in the Gas Phase: Pyridine or Pyrrolidine Nitrogen?

Graton, J.; Berthelot, M.; Gal, J.-F.; Girard, S.; Laurence, C.; Lebreton, J.; Le Questel, J.-Y.; Maria, P.-C.; Naus, P., J. Am. Chem. Soc. 2002, 124, 10552-10562.

(4)  The pKHB scale of the basicity of the hydrogen bond of aliphatic tertiary amines.

Graton, J.; Besseau, F.; Berthelot, M.; Raczynska, E. D.; Laurence, C., Can. J. Chem. 2002, 80, 1375-1385.

(3)  Amino and cyano N atoms in competitive situations: which is the best hydrogen-bond acceptor? A crystallographic database investigation.

Ziao, N.; Graton, J.; Laurence, C.; Le Questel, J. Y., Acta Cryst. B 2001, B57, 850-858.

(2)  Hydrogen-bond basicity pKHB scale of secondary amines.

Graton, J.; Berthelot, M.; Laurence, C., J. Chem. Soc., Perkin Trans. 2 2001, 2130-2135.

(1)  Hydrogen-bond basicity pKHB scale of aliphatic primary amines.

Graton, J.; Laurence, C.; Berthelot, M.; Le Questel, J.-Y.; Besseau, F.; Raczynska, E. D., J. Chem. Soc., Perkin Trans. 2 1999, 997-1001.