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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 , et al.
Chemical Communications, 2023, ⟨10.1039/D2CC06658K⟩
Journal articles hal-03923111v1
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Spectroscopy of 4(5)-methylimidazole and its hydrates in He droplets

F Grollau , J.-M Mestdagh , B Soep , E Gloaguen , V Brenner , et al.
CPLT 2022 - Chemistry and Physics at Low Temperatures, Jul 2022, Visegrad, Hungary
Conference papers cea-03714050v1
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Spectroscopie du 4(5)-méthylimidazole et de ses hydrates, hébergés en gouttelette d'hélium

F Grollau , J.-M Mestdagh , B Soep , E Gloaguen , V Brenner , et al.
Journées annuelles du GdR Edifices Moléculaires Isolés, Jun 2022, Dunkerque, France
Conference papers cea-03698024v1
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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⟩
Journal articles hal-03808280v1
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Stepwise dissociation of ion pairs by water molecules: cationdependent separation mechanisms between carboxylate and alkali-earth metal ions †

Jeremy Donon , Jean-Xavier Bardaud , Valérie Brenner , Shun-Ichi Ishiuchi , Masaaki Fujii , et al.
Physical Chemistry Chemical Physics, 2022, 24 (20), pp.12121-12125. ⟨10.1039/d2cp01158a⟩
Journal articles hal-03699870v1
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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⟩
Journal articles hal-03293478v1

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 , et al.
Physical Chemistry Chemical Physics, 2020, 22 (36), pp.20284-20294. ⟨10.1039/D0CP03136D⟩
Journal articles hal-03012453v1
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Caractérisation de paires d’ions par spectroscopies IR, UV et rayons X, interprétées par calculs de chimie quantique

Jeremy Donon
Chimie théorique et/ou physique. Université Paris-Saclay, 2020. Français. ⟨NNT : 2020UPASS106⟩
Theses tel-02922344v1
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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⟩
Journal articles hal-03293514v1
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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⟩
Journal articles hal-02451039v1
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Electronic Stark Effect in Isolated Ion Pairs

Jeremy Donon , Sana Habka , Vanesa Vaquero-Vara , Valerie Brenner , Michel Mons , et al.
Journal of Physical Chemistry Letters, 2019, 10 (23), pp.7458-7462. ⟨10.1021/acs.jpclett.9b02675⟩
Journal articles hal-02409435v1
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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⟩
Journal articles cea-02370063v1

Spectroscopie de paires d'ions isolées

Eric Gloaguen
Séminaire de l'Institut des Sciences Moléculaires d'Orsay, Sep 2019, Orsay, France
Conference papers hal-03313264v1
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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 , et al.
Physical Chemistry Chemical Physics, 2019, 21 (24), pp.12798-12805. ⟨10.1039/c9cp00700h⟩
Journal articles cea-02160902v1

IR and UV Spectroscopy of Neutral Ion Pairs

Eric Gloaguen
Seminar of the National Institute of Science Education and Research, Feb 2019, Bhubaneswar, India
Conference papers hal-03293610v1
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Conformational landscape of the SF6 dimer as revealed by various free jet conditions

M. Gaveau , M. Mons , Laurent Bruel , A. Potapov , A. Turner , et al.
AIP Conference Proceedings, 2019, pp.030004. ⟨10.1063/1.5119529⟩
Journal articles hal-02390696v1
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Low-lying excited states of model proteins: Performances of the CC2 method versus multireference methods

Nadia Ben Amor , Sophie Hoyau , Daniel Maynau , Valerie Brenner
Journal of Chemical Physics, 2018, 148 (18), pp.184105. ⟨10.1063/1.5025942⟩
Journal articles hal-01802401v1

Time-resolved inner-shell photoelectron spectroscopy: From a bound molecule to an isolated atom

Felix Brausse , Gildas Goldsztejn , Kasra Amini , Rebecca Boll , Sadia Bari , et al.
Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2018, 97 (4), ⟨10.1103/PhysRevA.97.043429⟩
Journal articles cea-01894499v1

On the turn-inducing properties of asparagine: the structuring role of the amide side chain, from isolated model peptides to crystallized proteins

S. Habka , W. Sohn , V. Vaquero-Vara , M. Géléoc , B. Tardivel , et al.
Physical Chemistry Chemical Physics, 2018, 20 (5), pp.3411 - 3423. ⟨10.1039/C7CP07605C⟩
Journal articles cea-01881657v1
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Rovibrational laser jet-cooled spectroscopy of SF 6 –rare gas complexes in the ν 3 region of SF 6

Pierre Asselin , Andrew C Turner , Laurent Bruel , Valérie Brenner , Marc-André Gaveau , et al.
Physical Chemistry Chemical Physics, 2018, 20 (44), pp.28105-28113. ⟨10.1039/c8cp04387f⟩
Journal articles hal-02344506v1

Conformational landscape of the SF6 dimer as revealed by high resolution infrared spectroscopy and complexation with rare gas atoms

Pierre Asselin , Alexey Potapov , Andrew C. Turner , Vincent Boudon , Laurent Bruel , et al.
Physical Chemistry Chemical Physics, 2017, 19, pp.17224-17232 ⟨10.1039/C7CP02529G⟩
Journal articles cea-01571674v1

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⟩
Journal articles cea-01571676v1

Correcting the record: the dimers and trimers of trans-N-methylacetamide

Thomas Forsting , Hannes C. Gottschalk , Beppo Hartwig , Michel Mons , Martin A. Suhm
Physical Chemistry Chemical Physics, 2017, 19, pp.10727-10737 ⟨10.1039/C6CP07989J⟩
Journal articles cea-01571679v1

Local NH–π interactions involving aromatic residues of proteins: influence of backbone conformation and ππ* excitation on the π H-bond strength, as revealed from studies of isolated model peptides

W. Y. Sohn , V. Brenner , Eric Gloaguen , M. Mons
Physical Chemistry Chemical Physics, 2016, 18, pp.29969-29978. ⟨10.1039/C6CP04109D⟩
Journal articles cea-01427214v1

Effective Strategy for Conformer-Selective Detection of Short-Lived Excited State Species: Application to the IR Spectroscopy of the N1H Keto Tautomer of Guanine

H. Asami , M. Tokugawa , Y. Masaki , S.-I. Ishiuchi , Eric Gloaguen , et al.
Journal of Physical Chemistry A, 2016, 120, pp.2179−2184. ⟨10.1021/acs.jpca.6b01194⟩
Journal articles hal-01326412v1

Gas-Phase Spectroscopic Signatures of Carboxylate−Li+ Contact Ion Pairs: New Benchmarks For Characterizing Ion Pairing in Solution

S. Habka , V. Brenner , M. Mons , Eric Gloaguen
Journal of Physical Chemistry Letters, 2016, 7 (7), pp.1192-1197. ⟨10.1021/acs.jpclett.6b00454⟩
Journal articles cea-01299274v1

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⟩
Journal articles cea-01273016v1

Isolated Neutral Peptides

Eric Gloaguen , M. Mons
Topics in Current Chemistry, 364, pp.225-270, 2015, Gas-phase IR Spectroscopy for the Structural Characterization of Biomolecules, ⟨10.1007/128_2014_580⟩
Book sections hal-01170925v1