CV Accueil - Archive ouverte HAL

	Non-covalent interactions reveal the protein chain δ conformation in a flexible single-residue model Zeynab Imani , V. Rao Mundlapati , Valérie Brenner , Eric Gloaguen , Katia Le Barbu-Debus Chemical Communications, 2023, ⟨10.1039/D2CC06658K⟩ Article dans une revue hal-03923111v1
	Length-Dependent Transition from Extended to Folded Shapes in Short Oligomers of an Azetidine-Based α-Amino Acid: The Critical Role of NH···N H-Bonds Dayi Liu , Jean-Xavier Bardaud , Zeynab Imani , Sylvie Robin , Eric Gloaguen Molecules, 2023, 28 (13), pp.5048. ⟨10.3390/molecules28135048⟩ Article dans une revue hal-04234958v1
	Characterization of Asx-turn types and their connate relationship with β-turns Viola d'Mello , Gildas Goldsztejn , Venkateswara Rao Mundlapati , Valérie Brenner , Eric Gloaguen Chemistry - A European Journal, 2022, 28 (25), pp.e202104328. ⟨10.1002/chem.202104328⟩ Article dans une revue hal-03808270v1
	Excited states computation of models of phenylalanine protein chains: TD-DFT and composite CC2/TD-DFT protocols Marine Lebel , Thibaut Very , Eric Gloaguen , Benjamin Tardivel , Michel Mons International Journal of Molecular Sciences, 2022, 23 (2), pp.621. ⟨10.3390/ijms23020621⟩ Article dans une revue cea-03524523v1
	Selenium in Proteins: Conformational Changes Induced by Se Substitution on Methionine, as Studied in Isolated Model Peptides by Optical Spectroscopy and Quantum Chemistry Gildas Goldsztejn , Venkateswara Rao Mundlapati , Valérie Brenner , Eric Gloaguen , Michel Mons Molecules, 2022, 27 (10), pp.3163. ⟨10.3390/molecules27103163⟩ Article dans une revue hal-03856955v1
	Front Cover: Characterization of Asx Turn Types and Their Connate Relationship with β‐Turns (Chem. Eur. J. 25/2022) Viola d'Mello , Gildas Goldsztejn , Venkateswara Rao Mundlapati , Valérie Brenner , Eric Gloaguen Chemistry - A European Journal, 2022, 28 (25), ⟨10.1002/chem.202200968⟩ Article dans une revue hal-03917656v1
	N–H⋯X interactions stabilize intra-residue C5 hydrogen bonded conformations in heterocyclic $\alpha$-amino acid derivatives Venkateswara Rao Mundlapati , Zeynab Imani , Viola d'Mello , Valérie Brenner , Eric Gloaguen Chemical Science, 2021, 12 (44), pp.14826-14832. ⟨10.1039/D1SC05014A⟩ Article dans une revue cea-03543435v1
	Conformational analysis by UV spectroscopy: the decisive contribution of environment-induced electronic Stark effects Jeremy Donon , Sana Habka , Michel Mons , Valérie Brenner , Eric Gloaguen Chemical Science, 2021, 12, pp.2803 - 2815. ⟨10.1039/d0sc06074g⟩ Article dans une revue hal-03293478v1
	A theoretical and experimental case study of the hydrogen bonding predilection of S-methylcysteine Venkateswara Rao Mundlapati , Zeynab Imani , Gildas Goldsztejn , Eric Gloaguen , Valérie Brenner Amino Acids, 2021, 53 (4), pp.621-633. ⟨10.1007/s00726-021-02967-z⟩ Article dans une revue hal-03186714v1
	An intraresidue H-bonding motif in selenocysteine and cysteine, revealed by gas phase laser spectroscopy and quantum chemistry calculations Gildas Goldsztejn , Venkateswara Rao Mundlapati , Jérémy Donon , Benjamin Tardivel , Eric Gloaguen Physical Chemistry Chemical Physics, 2020, 22 (36), pp.20409-20420. ⟨10.1039/D0CP02825H⟩ Article dans une revue hal-03443065v1
	Conformation control through concurrent N–H⋯S and N–H⋯O=C hydrogen bonding and hyperconjugation effects Zeynab Imani , Venkateswara Rao Mundlapati , Gildas Goldsztejn , Valerie Brenner , Eric Gloaguen Chemical Science, 2020, 11, pp.9191-9197. ⟨10.1039/D0SC03339A⟩ Article dans une revue hal-02917912v1
	CC2 Benchmark for Models of Phenylalanine Protein Chains: 0–0 Transition Energies and IR Signatures of the ππ* Excited State Mi-Song Dupuy , Eric Gloaguen , Benjamin Tardivel , Michel Mons , Valérie Brenner Journal of Chemical Theory and Computation, 2020, 16 (1), pp.601-611. ⟨10.1021/acs.jctc.9b00923⟩ Article dans une revue hal-02451039v1
	Intrinsic folding of the cysteine residue: competition between folded and extended forms mediated by the –SH group Gildas Goldsztejn , Venkateswara Rao Mundlapati , Valérie Brenner , Eric Gloaguen , Michel Mons Physical Chemistry Chemical Physics, 2020, 22 (36), pp.20284-20294. ⟨10.1039/D0CP03136D⟩ Article dans une revue hal-03012453v1
	Neutral Peptides in the Gas Phase: Conformation and Aggregation Issues Eric Gloaguen , Michel Mons , Kirsten Schwing , Markus Gerhards Chemical Reviews, 2020, 120 (22), pp.12490-12562. ⟨10.1021/acs.chemrev.0c00168⟩ Article dans une revue hal-03293514v1
	Electronic Stark Effect in Isolated Ion Pairs Jeremy Donon , Sana Habka , Vanesa Vaquero-Vara , Valerie Brenner , Michel Mons Journal of Physical Chemistry Letters, 2019, 10 (23), pp.7458-7462. ⟨10.1021/acs.jpclett.9b02675⟩ Article dans une revue hal-02409435v1
	Identification of ion pairs in solution by IR spectroscopy: crucial contributions of gas phase data and simulations Sana Habka , Thibaut Very , Jeremy Donon , Vanesa Vaquero-Vara , Benjamin Tardivel Physical Chemistry Chemical Physics, 2019, 21 (24), pp.12798-12805. ⟨10.1039/c9cp00700h⟩ Article dans une revue hal-03917603v1
	Identification of ion pairs in solution by IR spectroscopy: crucial contributions of gas phase data and simulations Sana Habka , Thibaut Véry , Jeremy Donon , Vanesa Vaquero-Vara , Benjamin Tardivel Physical Chemistry Chemical Physics, 2019, 21 (24), pp.12798-12805. ⟨10.1039/c9cp00700h⟩ Article dans une revue cea-02160902v1
	Rationalizing the diversity of amide–amide H-bonding in peptides using the natural bond orbital method Valérie Brenner , Eric Gloaguen , Michel Mons Physical Chemistry Chemical Physics, 2019, 21 (44), pp.24601-24619. ⟨10.1039/c9cp03825f⟩ Article dans une revue cea-02370063v1
	Unifying the microscopic picture of His-containing turns: from gas phase model peptides to crystallized proteins Woon Yong Sohn , Sana Habka , Eric Gloaguen , Michel Mons Physical Chemistry Chemical Physics, 2017, 19, pp.17128-17142 ⟨10.1039/C7CP03058D⟩ Article dans une revue cea-01571676v1
	Gas phase double-resonance IR/UV spectroscopy of an alanine dipeptide analogue using a non-covalently bound UV-tag: observation of a folded peptide conformation in the Ac-Ala-NH2–toluene complex Eric Gloaguen , Benjamin Tardivel , Michel Mons Structural Chemistry, 2016, 27 (1), pp.225-230. ⟨10.1007/s11224-015-0690-9⟩ Article dans une revue cea-01273016v1
	Local folding proclivities in cyclic b -peptide building blocks: assessment of configuration and heteroatom substitution effects by gas phase conformer-selective laser spectroscopy and quantum chemistry Mohammad Alauddin , Eric Gloaguen , Valérie Brenner , Benjamin Tardivel , Michel Mons Chemistry - A European Journal, 2015, 21 (46), pp.16479-16493 ⟨10.1002/chem.201501794⟩ Article dans une revue cea-01273006v1
	On the near UV photophysics of a phenylalanine residue: conformation-dependent ππ* state deactivation revealed by laser spectroscopy of isolated neutral dipeptides Yohan Loquais , Eric Gloaguen , Mohammad Alauddin , Valérie Brenner , Benjamin Tardivel Physical Chemistry Chemical Physics, 2014, 16, pp.22192-22200. ⟨10.1039/C4CP03401E⟩ Article dans une revue hal-01095175v1
	Secondary Structures in Phe-Containing Isolated Dipeptide Chains: Laser Spectroscopy vs Quantum Chemistry Yohan Loquais , Eric Gloaguen , Sana Habka , Vanesa Vaquero-Vara , Valérie Brenner Journal of Physical Chemistry A, 2014, ⟨10.1021/jp509494c⟩ Article dans une revue hal-01095145v1
	Unraveling the Mechanisms of Nonradiative Deactivation in Model Peptides Following Photoexcitation of a Phenylalanine Residue Momir Mališ , Yohan Loquais , Eric Gloaguen , Himansu S. Biswal , François Piuzzi Journal of the American Chemical Society, 2012, 134 (50), pp 20340-20351. ⟨10.1021/ja3054942⟩ Article dans une revue hal-00782181v1

	Microhydration of Mg2+(CH3COO-) ion pairs followed by IR laser spectroscopy: insights into the water-mediated ionic interactions in the magnesium transport channel Jean-Xavier Bardaud , Eric Gloaguen , Michel Mons , Valérie Brenner , Hikaru Takayanagi International Symposium on Molecular Spectroscopy, Jun 2023, Urbana (IL), France Communication dans un congrès hal-04355628v1
	Microhydration of Mg2+(CH3COO–) ion pairs followed by IR laser spectroscopy: insights into the water-mediated ionic interactions in the magnesium transport channel Jean-Xavier Bardaud , Eric Gloaguen , Michel Mons , Valérie Brenner , Hikaru Takayanagi 26ème congrès général de la SFP, Jul 2023, Paris, France Communication dans un congrès hal-04355538v1
	Microhydration of Mg2+(CH3COO-) ion pairs followed by IR laser spectroscopy: insights into the water-mediated ionic interactions in the magnesium transport channel Jean-Xavier Bardaud , Eric Gloaguen , Michel Mons , Valérie Brenner , Hikaru Takayanagi Journée de l'école doctoral 2MIB 2023, Jun 2023, Gif sur Yvette (91), France Communication dans un congrès hal-04395386v1
	Supercritical fluid-aided vaporization of neutral biomolecules for structural and photodynamical studies by UV or VUV spectroscopy Jean-Xavier Bardaud , Deb Pratim Mukhopadhyay , Marc-André Gaveau , Michel Mons , Gustavo A Garcia Asian spectroscopy conference, Sep 2023, Tokamachi, France Communication dans un congrès hal-04355654v1

ERIC GLOAGUEN

Publications

Non-covalent interactions reveal the protein chain δ conformation in a flexible single-residue model

Length-Dependent Transition from Extended to Folded Shapes in Short Oligomers of an Azetidine-Based α-Amino Acid: The Critical Role of NH···N H-Bonds

Characterization of Asx-turn types and their connate relationship with β-turns

Excited states computation of models of phenylalanine protein chains: TD-DFT and composite CC2/TD-DFT protocols

Selenium in Proteins: Conformational Changes Induced by Se Substitution on Methionine, as Studied in Isolated Model Peptides by Optical Spectroscopy and Quantum Chemistry

Front Cover: Characterization of Asx Turn Types and Their Connate Relationship with β‐Turns (Chem. Eur. J. 25/2022)

N–H⋯X interactions stabilize intra-residue C5 hydrogen bonded conformations in heterocyclic $\alpha$-amino acid derivatives

Conformational analysis by UV spectroscopy: the decisive contribution of environment-induced electronic Stark effects

A theoretical and experimental case study of the hydrogen bonding predilection of S-methylcysteine

An intraresidue H-bonding motif in selenocysteine and cysteine, revealed by gas phase laser spectroscopy and quantum chemistry calculations

Conformation control through concurrent N–H⋯S and N–H⋯O=C hydrogen bonding and hyperconjugation effects

CC2 Benchmark for Models of Phenylalanine Protein Chains: 0–0 Transition Energies and IR Signatures of the ππ* Excited State

Intrinsic folding of the cysteine residue: competition between folded and extended forms mediated by the –SH group

Neutral Peptides in the Gas Phase: Conformation and Aggregation Issues

Electronic Stark Effect in Isolated Ion Pairs

Identification of ion pairs in solution by IR spectroscopy: crucial contributions of gas phase data and simulations

Identification of ion pairs in solution by IR spectroscopy: crucial contributions of gas phase data and simulations

Rationalizing the diversity of amide–amide H-bonding in peptides using the natural bond orbital method

Unifying the microscopic picture of His-containing turns: from gas phase model peptides to crystallized proteins

Gas phase double-resonance IR/UV spectroscopy of an alanine dipeptide analogue using a non-covalently bound UV-tag: observation of a folded peptide conformation in the Ac-Ala-NH2–toluene complex

Local folding proclivities in cyclic b -peptide building blocks: assessment of configuration and heteroatom substitution effects by gas phase conformer-selective laser spectroscopy and quantum chemistry

On the near UV photophysics of a phenylalanine residue: conformation-dependent ππ* state deactivation revealed by laser spectroscopy of isolated neutral dipeptides

Secondary Structures in Phe-Containing Isolated Dipeptide Chains: Laser Spectroscopy vs Quantum Chemistry

Unraveling the Mechanisms of Nonradiative Deactivation in Model Peptides Following Photoexcitation of a Phenylalanine Residue

Microhydration of Mg2+(CH3COO-) ion pairs followed by IR laser spectroscopy: insights into the water-mediated ionic interactions in the magnesium transport channel

Microhydration of Mg2+(CH3COO–) ion pairs followed by IR laser spectroscopy: insights into the water-mediated ionic interactions in the magnesium transport channel

Microhydration of Mg2+(CH3COO-) ion pairs followed by IR laser spectroscopy: insights into the water-mediated ionic interactions in the magnesium transport channel

Supercritical fluid-aided vaporization of neutral biomolecules for structural and photodynamical studies by UV or VUV spectroscopy