Research progress on the role and mechanism of DNA damage repair in germ cell development

Y Wang, M Su, Y Chen, X Huang, L Ruan… - Frontiers in …, 2023 - frontiersin.org
In the complex and dynamic processes of replication, transcription, and translation of DNA
molecules, a large number of replication errors or damage can occur which lead to …

Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment, and in aqueous solution. Part 3. Adenine

M Hanus, M Kabeláč, J Rejnek… - The Journal of …, 2004 - ACS Publications
Altogether, 14 amino and imino tautomers of adenine were studied theoretically in the gas
phase, in a microhydrated environment (one and two water molecules), and in bulk water …

Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Guanine: surprising …

M Hanus, F Ryjácek, M Kabelác, T Kubař… - Journal of the …, 2003 - ACS Publications
Altogether eight keto and enol tautomers of guanine were studied theoretically in the gas
phase, in a microhydrated environment (1 and 2 water molecules) and in bulk water. The …

Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution Part 1. Cytosine

SA Trygubenko, TV Bogdan, M Rueda… - Physical Chemistry …, 2002 - pubs.rsc.org
Canonical, enol and imino tautomers of cytosine were studied theoretically in the gas phase,
in a microhydrated environment (1 and 2 waters) and in bulk water. The structures of …

The nucleobase cytosine and the cytosine dimer investigated by double resonance laser spectroscopy and ab initio calculations

E Nir, I Hünig, K Kleinermanns… - Physical Chemistry …, 2003 - pubs.rsc.org
The vibronic spectrum of laser desorbed and jet cooled cytosine consists of bands from two
major tautomers (keto and enol) as revealed by UV-UV and IR-UV double resonance …

Photophysics of cytosine tautomers: new insights into the nonradiative decay mechanisms from MS-CASPT2 potential energy calculations and excited-state molecular …

A Nakayama, Y Harabuchi, S Yamazaki… - Physical chemistry …, 2013 - pubs.rsc.org
A comprehensive picture of the ultrafast nonradiative decay mechanisms of three cytosine
tautomers (amino-keto, imino-keto, and amino-enol forms) is revealed by high-level ab initio …

Na+, Mg2+, and Zn2+ Binding to All Tautomers of Adenine, Cytosine, and Thymine and the Eight Most Stable Keto/Enol Tautomers of Guanine:  A Correlated ab …

M Kabelac, P Hobza - The Journal of Physical Chemistry B, 2006 - ACS Publications
Interactions of adenine, cytosine, guanine, and thymine with Na+, Mg2+, and Zn2+ cations
were studied using an approximate resolution of identity correlated second-order MP2 (RI …

Hydration and stability of nucleic acid bases and base pairs

M Kabeláč, P Hobza - Physical Chemistry Chemical Physics, 2007 - pubs.rsc.org
Empirical, quantum chemical calculations and molecular dynamics simulations of the role of
a solvent on tautomerism of nucleic acid bases and structure and properties of nucleic acid …

Ionization of cytosine monomer and dimer studied by VUV photoionization and electronic structure calculations

O Kostko, K Bravaya, A Krylov, M Ahmed - … Chemistry Chemical Physics, 2010 - pubs.rsc.org
We report a combined theoretical and experimental study of ionization of cytosine
monomers and dimers. Gas-phase molecules are generated by thermal vaporization of …

Recent advances in computing heteroatom-rich five-and six-membered ring systems

G Rauhut - Advances in Heterocyclic Chemistry, 2001 - Elsevier
Recent developments in computer technology in combination with increasingly accurate
quantum chemical methods allow for the detailed investigation of molecular reactions …