Lista de obras - Eric Gloaguen - Dominio Público Uruguay

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

artículo científico publicado en 2021

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

scientific article published on 11 September 2020

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

scientific article published on 31 December 2019

Compact folding of isolated four-residue neutral peptide chains: H-bonding patterns and entropy effects

artículo científico publicado en 2011

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

artículo científico publicado en 2020

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

artículo científico publicado en 2021

Direct Spectroscopic Evidence of Hyperconjugation Unveils the Conformational Landscape of Hydrazides

artículo científico publicado en 2014

Direct observation of microscopic solvation at the surface of clusters by ultrafast photoelectron imaging

artículo científico publicado en 2008

Direct spectroscopic evidence of hyperconjugation unveils the conformational landscape of hydrazides

artículo científico publicado en 2014

Dissociative multiphoton ionization of NO2 studied by time-resolved imaging

artículo científico publicado en 2004

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

artículo científico publicado en 2016

Electronic Stark Effect in Isolated Ion Pairs

artículo científico publicado en 2019

Excited States Computation of Models of Phenylalanine Protein Chains: TD-DFT and Composite CC2/TD-DFT Protocols

artículo científico publicado en 2022

Experimental and Theoretical Investigation of the Aromatic−Aromatic Interaction in Isolated Capped Dipeptides†

scientific article published on 01 March 2010

Experimental evidence for ultrafast electronic relaxation in molecules, mediated by diffuse states

artículo científico publicado en 2005

Far/Mid-Infrared Signatures of Solvent–Solute Interactions in a Microhydrated Model Peptide Chain

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

artículo científico publicado en 2015

Gas phase folding of an (Ala)4 neutral peptide chain: spectroscopic evidence for the formation of a beta-hairpin H-bonding pattern.

artículo científico publicado en 2009

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

artículo científico publicado en 2016

Gas-phase folding of a two-residue model peptide chain: on the importance of an interplay between experiment and theory.

artículo científico publicado en 2010

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

scientific article published on 12 April 2019

Intra-residue interactions in proteins: interplay between serine or cysteine side chains and backbone conformations, revealed by laser spectroscopy of isolated model peptides

artículo científico publicado en 2014

Intramolecular recognition in a jet-cooled short peptide chain: gamma-turn helicity probed by a neighbouring residue

artículo científico publicado en 2007

Intrinsic Folding Proclivities in Cyclic β-Peptide Building Blocks: Configuration and Heteroatom Effects Analyzed by Conformer-Selective Spectroscopy and Quantum Chemistry.

artículo científico publicado en 2015

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

scientific article published on 01 September 2020

Investigating the chemical composition of mixed organic–inorganic particles by “soft” vacuum ultraviolet photoionization: The reaction of ozone with anthracene on sodium chloride particles

artículo científico publicado en 2006

Ion Pair Supramolecular Structure Identified by ATR‐FTIR Spectroscopy and Simulations in Explicit Solvent**

artículo científico publicado en 2021

Isolated monohydrates of a model peptide chain: effect of a first water molecule on the secondary structure of a capped phenylalanine.

artículo científico publicado en 2011

Isolated neutral peptides

artículo científico

Laser spectroscopic studies of the E1Σ+ `Rydberg' state of the MgO molecule

artículo científico publicado en 2004

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

artículo científico publicado en 2016

N-H⋯X interactions stabilize intra-residue C5 hydrogen bonded conformations in heterocyclic α-amino acid derivatives

artículo científico publicado en 2021

Neutral Peptides in the Gas Phase: Conformation and Aggregation Issues

scientific article published on 05 November 2020

Non-radiative relaxation of UV photoexcited phenylalanine residues: probing the role of conical intersections by chemical substitution

artículo científico publicado en 2014

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

artículo científico publicado en 2014

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

artículo científico publicado en 2018

Photofragmentation and electron detachment of aromatic phosphonate, sulfonate and phosphate oxyanions

artículo científico publicado en 2021

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

artículo científico publicado en 2019

Reactive and Inelastic Channels in the Ca*···FCH3 Transition State: A Simple Branching Mechanism

artículo científico publicado en 2015

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

artículo científico publicado en 2014

Spontaneous formation of hydrophobic domains in isolated peptides

artículo científico publicado en 2013

Strength of NH···S Hydrogen Bonds in Methionine Residues Revealed by Gas-Phase IR/UV Spectroscopy.

artículo científico publicado en 2012

Structure of the indole-benzene dimer revisited

artículo científico publicado en 2011

Transition state spectroscopy of the photoinduced Ca + CH(3)F reaction. 1. A cluster isolated chemical reaction study

artículo científico publicado en 2005

Transition state spectroscopy of the photoinduced Ca + CH3F reaction. 2. Experimental and ab initio studies of the free Ca...FCH3 complex

artículo científico publicado en 2006

Transition-state spectroscopy of the photoinduced Ca + CH3F reaction. 3. Reaction following the local excitation to Ca(4s3d 1D).

artículo científico publicado en 2008

Ultrafast Photoelectron imaging of the electronic relaxation of a molecule deposited at the surface of an argon cluster

artículo científico publicado en 2006

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

artículo científico publicado en 2017

Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy.

artículo científico publicado en 2014

Unraveling the mechanisms of nonradiative deactivation in model peptides following photoexcitation of a phenylalanine residue

artículo científico publicado en 2012

Lista de obras de Eric Gloaguen

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

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

Compact folding of isolated four-residue neutral peptide chains: H-bonding patterns and entropy effects

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

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

Direct Spectroscopic Evidence of Hyperconjugation Unveils the Conformational Landscape of Hydrazides

Direct observation of microscopic solvation at the surface of clusters by ultrafast photoelectron imaging

Direct spectroscopic evidence of hyperconjugation unveils the conformational landscape of hydrazides

Dissociative multiphoton ionization of NO2 studied by time-resolved imaging

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

Electronic Stark Effect in Isolated Ion Pairs

Excited States Computation of Models of Phenylalanine Protein Chains: TD-DFT and Composite CC2/TD-DFT Protocols

Experimental and Theoretical Investigation of the Aromatic−Aromatic Interaction in Isolated Capped Dipeptides†

Experimental evidence for ultrafast electronic relaxation in molecules, mediated by diffuse states

Far/Mid-Infrared Signatures of Solvent–Solute Interactions in a Microhydrated Model Peptide Chain

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

Gas phase folding of an (Ala)4 neutral peptide chain: spectroscopic evidence for the formation of a beta-hairpin H-bonding pattern.

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

Gas-phase folding of a two-residue model peptide chain: on the importance of an interplay between experiment and theory.

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

Intra-residue interactions in proteins: interplay between serine or cysteine side chains and backbone conformations, revealed by laser spectroscopy of isolated model peptides

Intramolecular recognition in a jet-cooled short peptide chain: gamma-turn helicity probed by a neighbouring residue

Intrinsic Folding Proclivities in Cyclic β-Peptide Building Blocks: Configuration and Heteroatom Effects Analyzed by Conformer-Selective Spectroscopy and Quantum Chemistry.

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

Investigating the chemical composition of mixed organic–inorganic particles by “soft” vacuum ultraviolet photoionization: The reaction of ozone with anthracene on sodium chloride particles

Ion Pair Supramolecular Structure Identified by ATR‐FTIR Spectroscopy and Simulations in Explicit Solvent**

Isolated monohydrates of a model peptide chain: effect of a first water molecule on the secondary structure of a capped phenylalanine.

Isolated neutral peptides

Laser spectroscopic studies of the E1Σ+ `Rydberg' state of the MgO molecule

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

N-H⋯X interactions stabilize intra-residue C5 hydrogen bonded conformations in heterocyclic α-amino acid derivatives

Neutral Peptides in the Gas Phase: Conformation and Aggregation Issues

Non-radiative relaxation of UV photoexcited phenylalanine residues: probing the role of conical intersections by chemical substitution

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

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

Photofragmentation and electron detachment of aromatic phosphonate, sulfonate and phosphate oxyanions

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

Reactive and Inelastic Channels in the Ca*···FCH3 Transition State: A Simple Branching Mechanism

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

Spontaneous formation of hydrophobic domains in isolated peptides

Strength of NH···S Hydrogen Bonds in Methionine Residues Revealed by Gas-Phase IR/UV Spectroscopy.

Structure of the indole-benzene dimer revisited

Transition state spectroscopy of the photoinduced Ca + CH(3)F reaction. 1. A cluster isolated chemical reaction study

Transition state spectroscopy of the photoinduced Ca + CH3F reaction. 2. Experimental and ab initio studies of the free Ca...FCH3 complex

Transition-state spectroscopy of the photoinduced Ca + CH3F reaction. 3. Reaction following the local excitation to Ca(4s3d 1D).

Ultrafast Photoelectron imaging of the electronic relaxation of a molecule deposited at the surface of an argon cluster

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

Unraveling non-covalent interactions within flexible biomolecules: from electron density topology to gas phase spectroscopy.

Unraveling the mechanisms of nonradiative deactivation in model peptides following photoexcitation of a phenylalanine residue