Nitrogen bases containing one or more pushing amino-group (s) directly linked to a pulling
cyano, imino, or phosphoimino group, as well as those in which the pushing and pulling …

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 …

The proton affinities (PA) of the 20 naturally occurring α-amino acids (AA) have been
determined computationally by means of density functional theory (DFT) and high-level G2 …

The gas-phase acidities of the 20 protein amino acids (PAAs) have been determined using
an electrospray ionization–quadrupole ion trap instrument. Three different methods were …

The proton affinities of the 20 common amino acids have been computed at the G3MP2 level
using structures derived from broad conformational searches at a variety of levels including …

Absolute 18-crown-6 (18C6) affinities of five amino acids (AAs) are determined using guided
ion beam tandem mass spectrometry techniques. The AAs examined in this work include …

Gas-phase acidities (GA or ΔGacid) for the two most acidic common amino acids, aspartic
acid and glutamic acid, have been determined for the first time. Because of the amide …

Hydroxylation of proline is a prominent oxidative post-translational modification (oxPTM) in
animals, characterized by site specificity and stereochemical control. The presence of this …

A novel photochemical technique combined with mass spectrometry and resonant infrared
multiphoton dissociation spectroscopy (R-IRMPD) has been used to record infrared …

This study provides comprehensive benchmark calculations for the thermochemical
properties of the common α-amino acids. Calculated properties include the proton affinity …