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, considered as the most definitive gas phase structural probe, is
able to distinguish between different conformational structures of a molecule, because they …

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 …

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 …

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 …

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 …

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 …

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 …

The assignment of the hydrogen bonded O–H stretch vibration in the proline matrix IR
spectrum has sparked controversy. Employing constrained nuclear electronic orbital …

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 …