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 …
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 …
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 …
an electrospray ionization–quadrupole ion trap instrument. Three different methods were …
Brønsted basicities of diamines in the gas phase, acetonitrile, and tetrahydrofuran
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 …
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 …
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 …
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
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 …
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 …
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 …
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 …
entropies are obtained based on unimolecular dissociation kinetics. A series of ion‐bound …