Thermochemistry of proton-coupled electron transfer reagents and its implications

JJ Warren, TA Tronic, JM Mayer - Chemical reviews, 2010 - ACS Publications
Many, if not most, redox reactions are coupled to proton transfers. This includes most
common sources of chemical potential energy, from the bioenergetic processes that power …

New insights on the interaction of phenanthroline based ligands and metal complexes and polyoxometalates with duplex DNA and G-quadruplexes

Á Sánchez-González, NAG Bandeira… - Molecules, 2021 - mdpi.com
This work provides new insights from our team regarding advances in targeting canonical
and non-canonical nucleic acid structures. This modality of medical treatment is used as a …

Theoretical insight into hydrogen adsorption onto graphene: a first-principles B3LYP-D3 study

MD Ganji, SM Hosseini-Khah… - Physical Chemistry …, 2015 - pubs.rsc.org
This work investigates hydrogen adsorption onto various graphene flakes such as coronene
and coronene-like as suitable models of graphene within the framework of the DFT-B3LYP …

Dynamics of glycine dications in the gas phase: ultrafast intramolecular hydrogen migration versus Coulomb repulsion

S Maclot, DG Piekarski, A Domaracka… - The Journal of …, 2013 - ACS Publications
We present a combined experimental and theoretical study of the complex dynamics of
excited doubly ionized glycine molecules in the gas phase. Multicoincidence mass …

Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules

IO de Luzuriaga, S Elleuchi, K Jarraya… - Physical Chemistry …, 2022 - pubs.rsc.org
The computational study of DNA and its interaction with ligands is a highly relevant area of
research, with significant consequences for developing new therapeutic strategies …

Gas-phase fragmentation of long-lived cysteine radical cations formed via NO loss from protonated S-nitrosocysteine

V Ryzhov, AKY Lam, RAJ O'Hair - Journal of the American Society …, 2011 - ACS Publications
In this work, we describe two different methods for generating protonated S-nitrosocysteine
in the gas phase. The first method involves a gas-phase reaction of protonated cysteine with …

Ion‐Induced Fragmentation of Amino Acids: Effect of the Environment

S Maclot, M Capron, R Maisonny, A Ławicki… - …, 2011 - Wiley Online Library
In general, radiation‐induced fragmentation of small amino acids is governed by the
cleavage of the C Cα bond. We present results obtained with 300 keV Xe20+ ions that …

Influence of conventional hydrogen bonds in the intercalation of phenanthroline derivatives with DNA: The important role of the sugar and phosphate backbone

Á Sánchez‐González, P Grenut… - Journal of Computational …, 2022 - Wiley Online Library
The influence of hydrogen bonds in model intercalated systems between guanine‐cytosine
and adenine‐thymine DNA base pairs (bps) was analyzed with the popular intercalator 1, 10 …

A Multicoincidence Study of Fragmentation Dynamics in Collision of γ‐Aminobutyric Acid with Low‐Energy Ions

M Capron, S Díaz‐Tendero, S Maclot… - … A European Journal, 2012 - Wiley Online Library
Fragmentation of the γ‐aminobutyric acid molecule (GABA, NH2 (CH2) 3COOH) following
collisions with slow O6+ ions (v≈ 0.3 au) was studied in the gas phase by a combined …

Cysteine radical cation: A distonic structure probed by gas phase IR spectroscopy

RK Sinha, P Maître, S Piccirillo, B Chiavarino… - Physical Chemistry …, 2010 - pubs.rsc.org
The interest in the radical cations of amino acids is twofold. On the one hand, these species
are relevant in enzymatic catalysis and in oxidative damage of proteins. On the other hand …