Quantum mechanical studies on the photophysics and the photochemistry of nucleic acids and nucleobases

R Improta, F Santoro, L Blancafort - Chemical reviews, 2016 - ACS Publications
The photophysics and photochemistry of DNA is of great importance due to the potential
damage of the genetic code by UV light. Quantum mechanical studies have played a key …

Ultrafast excited-state dynamics in nucleic acids

CE Crespo-Hernández, B Cohen, PM Hare… - Chemical …, 2004 - ACS Publications
The scope of this review is the nature and dynamics of the singlet excited electronic states
created in nucleic acids and their constituents by UV light. Interest in the UV photochemistry …

Excited states dynamics of DNA and RNA bases: Characterization of a stepwise deactivation pathway in the gas phase

C Canuel, M Mons, F Piuzzi, B Tardivel… - The Journal of …, 2005 - pubs.aip.org
Radiationless deactivation pathways of excited gas phase nucleobases were investigated
using mass-selected femtosecond resolved pump-probe resonant ionization. By comparison …

Intrinsic lifetimes of the excited state of DNA and RNA bases

H Kang, KT Lee, B Jung, YJ Ko… - Journal of the American …, 2002 - ACS Publications
The lifetimes of the excited state of free nucleobases were measured in the gas phase for
the first time. They are, respectively, 1.0 and 0.8 ps for the purine bases adenine (shown …

Electronic relaxation dynamics in DNA and RNA bases studied by time-resolved photoelectron spectroscopy

S Ullrich, T Schultz, MZ Zgierski… - Physical Chemistry …, 2004 - pubs.rsc.org
We present femtosecond time-resolved photoelectron spectra (TRPES) of the DNA and RNA
bases adenine, cytosine, thymine, and uracil in a molecular beam. We discuss in detail the …

Excited state dynamics of DNA bases

K Kleinermanns, D Nachtigallová… - International Reviews in …, 2013 - Taylor & Francis
Biochemical reactions are subject to the particular environmental conditions of planet earth,
including solar irradiation. How DNA responds to radiation is relevant to human health …

Adenine and 2-aminopurine: paradigms of modern theoretical photochemistry

L Serrano-Andres, M Merchan… - Proceedings of the …, 2006 - National Acad Sciences
Distinct photophysical behavior of nucleobase adenine and its constitutional isomer, 2-
aminopurine, has been studied by using quantum chemical methods, in particular an …

Radiationless decay of excited states of uracil through conical intersections

S Matsika - The Journal of Physical Chemistry A, 2004 - ACS Publications
The electronically excited singlet states of uracil have been studied theoretically using ab
initio multireference configuration interaction methods focusing on the mechanism for …

Ab initio studies on the photophysics of the guanine–cytosine base pair

AL Sobolewski, W Domcke - Physical Chemistry Chemical Physics, 2004 - pubs.rsc.org
The low-lying excited singlet states of the Watson–Crick form of the guanine–cytosine base
pair have been investigated with multi-reference ab initio methods (complete-active-space …

Ultrafast excited-state dynamics of adenine and monomethylated adenines in solution: Implications for the nonradiative decay mechanism

B Cohen, PM Hare, B Kohler - Journal of the American Chemical …, 2003 - ACS Publications
The DNA base adenine and four monomethylated adenines were studied in solution at room
temperature by femtosecond pump− probe spectroscopy. Transient absorption at visible …