Molecular Mechanisms for the Reaction Between OH Radicals and Proline: Insights on the Role as Reactive Oxygen Species Scavenger in Plant Stress

S Signorelli, EL Coitiño, O Borsani… - The Journal of Physical …, 2014 - ACS Publications
The accumulation of proline (Pro) and overproduction of reactive oxygen species (ROS) by
plants exposed to stress is well-documented. In vitro assays show that enzyme inactivation …

Microwave spectroscopy of biomolecular building blocks

JL Alonso, JC López - Gas-Phase IR Spectroscopy and Structure of …, 2015 - Springer
Microwave spectroscopy, considered as the most definitive gas phase structural probe, is
able to distinguish between different conformational structures of a molecule, because they …

Gas phase basicities of polyfunctional molecules. Part 3: Amino acids

G Bouchoux - Mass spectrometry reviews, 2012 - Wiley Online Library
The present article is the third part of a general overview of the gas‐phase protonation
thermochemistry of polyfunctional molecules (first part: Mass Spectrom. Rev., 2007, 26: 775 …

TorsiFlex: an automatic generator of torsional conformers. Application to the twenty proteinogenic amino acids

D Ferro-Costas, I Mosquera-Lois… - Journal of …, 2021 - Springer
In this work, we introduce TorsiFlex, a user-friendly software written in Python 3 and
designed to find all the torsional conformers of flexible acyclic molecules in an automatic …

Quantum chemistry meets high-resolution spectroscopy for characterizing the molecular bricks of life in the gas-phase

V Barone - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
Computation of accurate geometrical structures and spectroscopic properties of large
flexible molecules in the gas-phase is tackled at an affordable cost using a general …

DFT Meets Wave-Function Methods for Accurate Structures and Rotational Constants of Histidine, Tryptophan, and Proline

V Barone, LM Uribe Grajales, S Di Grande… - The Journal of …, 2023 - ACS Publications
A new computational strategy has been applied to the conformational and spectroscopic
properties in the gas phase of amino acids with very distinctive features, ranging from …

Conformer-dependent vacuum ultraviolet photodynamics and chiral asymmetries in pure enantiomers of gas phase proline

R Hadidi, DK Božanić, H Ganjitabar… - Communications …, 2021 - nature.com
Proline is a unique amino-acid, with a secondary amine fixed within a pyrrolidine ring
providing specific structural properties to proline-rich biopolymers. Gas-phase proline …

[PDF][PDF] Conformations of c-aminobutyric acid (GABA): the role of the n! p* interaction

S Blanco, JC López, S Mata, JL Alonso - Angew Chem Int Ed, 2010 - academia.edu
Susana Blanco, Juan C. López,* Santiago Mata, and JosØ L. Alonso g-Aminobutyric acid
(GABA) is arguably the most important inhibitory neurotransmitter in the brain and …

Rotational spectrum of tryptophan

ME Sanz, C Cabezas, S Mata, JL Alonso - The Journal of chemical …, 2014 - pubs.aip.org
The rotational spectrum of the natural amino acid tryptophan has been observed for the first
time using a combination of laser ablation, molecular beams, and Fourier transform …

Gas phase hydration of amino acids and dipeptides: effects on the relative stability of zwitterion vs. canonical conformers

JY Kim, DS Ahn, SW Park, S Lee - RSC Advances, 2014 - pubs.rsc.org
We present a brief review of studies of the relative stability of canonical vs. zwitterionic forms
of amino acids and dipeptides under the influence of gas phase hydration. Focus is given on …