The experimental and theoretical methods of determination of gas‐phase basicities, proton
affinities and protonation entropies are presented in a tutorial form. Particularities and …

As of late, mass spectrometric methods for analysis of enantiomer discriminating systems
have received considerable attention. In the last ten years, specific methods focused on …

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 …

Hypoxanthine is a mutagenic purine base that most commonly arises from the oxidative
deamination of adenine. Damaged bases such as hypoxanthine are associated with …

There is an emerging consensus regarding the applicability of the kinetic method. All parties
acknowledge that it is an approximate quantitative technique, capable of yielding not only …

The gas-phase proton affinities (PAs) of four novel guanidine derivatives, with three of them
incorporating heteroalkyl groups capable of forming intramolecular hydrogen bonds, are …

The thermochemical properties of melamine and cyanuric acid were characterized using
mass spectrometry measurements along with computational studies. A triple-quadrupole …

The proton affinity (PA) and protonation entropy, ΔpS°, of glycine (Gly), 1, aspartic acid
(Asp), 2, asparagine (Asn), 3, histidine (His), 4, lysine (Lys), 5, glutamic acid (Glu), 6, and …

A full structural search of the canonical, zwitterionic, protonated and deprotonated lysine
conformers in gas phase is presented. A total of 17,496 canonical, 972 zwitterionic, 11,664 …