Gas‐phase basicities of polyfunctional molecules. Part 1: Theory and methods

G Bouchoux - Mass Spectrometry Reviews, 2007 - Wiley Online Library
The experimental and theoretical methods of determination of gas‐phase basicities, proton
affinities and protonation entropies are presented in a tutorial form. Particularities and …

Gas‐phase basicities of polyfunctional molecules. Part 2: Saturated basic sites

G Bouchoux, JY Salpin - Mass Spectrometry Reviews, 2012 - Wiley Online Library
The present article is the second part of a general overview of the gas‐phase protonation
thermochemistry of polyfunctional molecules. The first part of the review (Mass Spectrom …

Gas-phase acidities of the 20 protein amino acids

CM Jones, M Bernier, E Carson, KE Colyer… - International Journal of …, 2007 - Elsevier
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 …

Brønsted basicities of diamines in the gas phase, acetonitrile, and tetrahydrofuran

EI Rõõm, A Kütt, I Kaljurand, I Koppel… - … A European Journal, 2007 - Wiley Online Library
A comprehensive basicity study of α, ω‐alkanediamines and related bases has been carried
out. Basicities in acetonitrile (AN, pKa values), tetrahydrofuran (THF, pKα values), and gas …

Systematic and random errors in ion affinities and activation entropies from the extended kinetic method

KM Ervin, PB Armentrout - Journal of mass spectrometry, 2004 - Wiley Online Library
An evaluation of the extended kinetic method with full entropy analysis was conducted using
RRKM theory to simulate data for collision‐induced dissociation under single‐collision …

The sodium ion affinities of simple di-, tri-, and tetrapeptides

P Wang, C Wesdemiotis, C Kapota… - Journal of the …, 2007 - ACS Publications
The sodium ion affinities (binding energies) of nineteen peptides containing 2–4 residues
have been determined by experimental and computational approaches. Na+-bound …

An NMR scale for measuring the base strength of solid catalysts with pyrrole probe: a combined solid-state NMR experiment and theoretical calculation study

X Yi, G Li, L Huang, Y Chu, Z Liu, H Xia… - The Journal of …, 2017 - ACS Publications
Pyrrole has been employed as an NMR probe molecule to determine the base strength of
solid catalytic materials; however, the quantitative correlation between the 1H chemical shift …

The sodium ion affinity of glycylglycine

MM Kish, C Wesdemiotis… - The Journal of Physical …, 2004 - ACS Publications
The sodium ion affinity of the simplest peptide, glycylglycine (GlyGly), is determined by the
kinetic method, from the dissociation kinetics of Na+-bound dimers of GlyGly and amino acid …

Postcombustion CO2 Capture Solvent Characterization Employing the Explicit Solvation Shell Model and Continuum Solvation Models

M Gupta, EF da Silva, HF Svendsen - The Journal of Physical …, 2016 - ACS Publications
A study on the explicit and implicit solvation models for calculation of solvation free energy of
ions and p K a of amino acids presented recently [Gupta, M.; J. Chem. Theory. Comput …

Entropy considerations in kinetic method experiments

C Wesdemiotis - Journal of mass spectrometry, 2004 - Wiley Online Library
In extended kinetic method experiments, relative binding enthalpies ('affinities') and relative
entropies are obtained based on unimolecular dissociation kinetics. A series of ion‐bound …