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

R Chaudret, B De Courcy, J Contreras-Garcia… - Physical Chemistry …, 2014 - pubs.rsc.org
The NCI (Non-Covalent Interactions) method, a recently-developed theoretical strategy to
visualize weak non-covalent interactions from the topological analysis of the electron density …

Triple resonance for a three-level system of a chiral molecule

E Hirota - Proceedings of the Japan Academy, Series B, 2012 - jstage.jst.go.jp
A new spectroscopic method of triple resonance is proposed for studying chirality of a
molecule of C1 symmetry. Each enantiomer of such a molecule is of mixed parity and thus …

The role of weak hydrogen bonds in chiral recognition

D Scuderi, K Le Barbu-Debus… - Physical Chemistry …, 2011 - pubs.rsc.org
Chiral recognition has been studied in neutral or ionic weakly bound complexes isolated in
the gas phase by combining laser spectroscopy and quantum chemical calculations. Neutral …

A comparative VCD study of methyl mandelate in methanol, dimethyl sulfoxide, and chloroform: explicit and implicit solvation models

MR Poopari, Z Dezhahang, Y Xu - Physical Chemistry Chemical …, 2013 - pubs.rsc.org
Vibrational absorption (VA) and vibrational circular dichroism (VCD) spectra of methyl
mandelate, a prototype chiral molecule, in a series of organic solvents, namely methanol …

Single-conformation and diastereomer specific ultraviolet and infrared spectroscopy of model synthetic foldamers: α/β-peptides

WH James III, EE Baquero, VA Shubert… - Journal of the …, 2009 - ACS Publications
Resonant two-photon ionization (R2PI), UV hole-burning (UVHB), and resonant ion-dip
infrared (RIDIR) spectroscopies have been used to record single-conformation infrared and …

Chirality influence on the aggregation of methyl mandelate

M Albrecht, A Borba, K Le Barbu-Debus… - New Journal of …, 2010 - pubs.rsc.org
The methyl ester of mandelic acid is investigated by a wide range of techniques to unravel
its aggregation pattern and the influence of relative chirality of the aggregating monomers …

Chiral recognition in jet-cooled complexes of (1R, 2S)-(+)-cis-1-amino-2-indanol and methyl lactate: on the importance of the CH⋯ π interaction

K Le Barbu-Debus, M Broquier, A Mahjoub… - Physical Chemistry …, 2009 - pubs.rsc.org
Complexation between (1R, 2S)-(+)-cis-1-amino-2-indanol (AI) and the two enantiomers of
methyl lactate has been studied by means of laser-induced fluorescence, resonance …

Mass spectrometry study and infrared spectroscopy of the complex between camphor and the two enantiomers of protonated alanine: the role of higher‐energy …

A Sen, K Le Barbu‐Debus, D Scuderi… - Chirality, 2013 - Wiley Online Library
The properties of the protonated complexes built from S camphor and R or S alanine were
studied in a Paul ion trap at room temperature by collision‐induced dissociation (CID) and …

Chirality-dependent hydrogen bond direction in jet-cooled (S)-1, 2, 3, 4-tetrahydro-3-isoquinoline methanol (THIQM): IR-ion dip vibrational spectroscopy of the neutral …

A Mahjoub, A Chakraborty, V Lepere… - Physical Chemistry …, 2009 - pubs.rsc.org
The structural modifications of (S)-1, 2, 3, 4-tetrahydro-3-isoquinoline methanol (THIQM)
upon ionisation have been investigated in jet-cooled conditions, by means of laser-induced …

Role of Conformational Isomerism in Solvent-Mediated Charge Transfer in Chiral (S) 1,2,3,4-Tetrahydro-3-isoquinoline Methanol (THIQM): Condensed-Phase to Jet …

A Chakraborty, N Guchhait… - The Journal of …, 2011 - ACS Publications
Intramolecular charge-transfer reaction in chiral (S) 1, 2, 3, 4-tetrahydro-3-isoquinoline
methanol (THIQM) has been investigated in the condensed phase and in jet-cooled …