Protection of DNA against low-energy electrons by amino acids: a first-principles molecular dynamics study
Literature Information
Maeve Smyth, Jorge Kohanoff
Using first-principles molecular dynamics simulations, we have investigated the notion that amino acids can play a protective role when DNA is exposed to excess electrons produced by ionizing radiation. In this study we focus on the interaction of glycine with the DNA nucleobase thymine. We studied thymine–glycine dimers and a condensed phase model consisting of one thymine molecule solvated in amorphous glycine. Our results show that the amino acid acts as a protective agent for the nucleobase in two ways. If the excess electron is initially captured by the thymine, then a proton is transferred in a barrier-less way from a neighboring hydrogen-bonded glycine. This stabilizes the excess electron by reducing the net partial charge on the thymine. In the second mechanism the excess electron is captured by a glycine, which acts as a electron scavenger that prevents electron localization in DNA. Both these mechanisms introduce obstacles to further reactions of the excess electron within a DNA strand, e.g. by raising the free energy barrier associated with strand breaks.
Related Literature
Double remote electrochemical addressing and optical readout of electrochemiluminescence at the tip of an optical fiber
Haidong Li, Patrick Garrigue, Laurent Bouffier, Stéphane Arbault, Alexander Kuhn, Neso Sojic
DOI: 10.1039/C6AN00652C
Endonuclease IV cleaves apurinic/apyrimidinic sites in single-stranded DNA and its application for biosensing
Xiang-Juan Kong, Shuang Wu, Yao Cen, Ting-Ting Chen, Ru-Qin Yu, Xia Chu
DOI: 10.1039/C6AN00738D
Photoelectrochemical detection of metal ions
Wei-Wei Zhao, Jing-Juan Xu, Hong-Yuan Chen
DOI: 10.1039/C6AN01123C
Versatile electrochemical approaches towards the fabrication of molecular electronic devices
Pradeep Sachan, Prakash Chandra Mondal
DOI: 10.1039/C9AN01948K
Employment of electrostatic interactions for amperometric detection of carbon nanoparticles in a FIA system
D. Ogończyk, M. Opallo
DOI: 10.1039/C6AN00752J
A multi-responsive turn-on flurogenic probe to sense Zn2+, Cd2+ and Pb2+: left-right-center emission signal swing
Soham Samanta, Barun Kumar Datta, Madhurima Boral, Abhijit Nandan, Gopal Das
DOI: 10.1039/C6AN00657D
Signal enhancement in ligand–receptor interactions using dynamic polymers at quartz crystal microbalance sensors
Zhichao Pei, Björn Ingemarsson, Teodor Aastrup, Olof Ramström
DOI: 10.1039/C6AN00735J
Strong dependence of fluorescence quenching on the transition metal in layered transition metal dichalcogenide nanoflakes for nucleic acid detection
Adeline Huiling Loo, Alessandra Bonanni, Martin Pumera
DOI: 10.1039/C6AN00454G
Ion hydration and association in aqueous potassium tetrahydroxyborate solutions
Toshio Yamaguchi, Koji Yoshida
DOI: 10.1039/C9AN01662G
A copper-based metal–organic framework/graphene nanocomposite for the sensitive and stable electrochemical detection of DNA bases
Xiuyun Wang, Jie Zhang, Yuanan Wei, Tianyu Xing, Tingting Cao, Shuo Wu, Fenghui Zhu
DOI: 10.1039/C9AN02398D
You might also like
What precautions should be taken when handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2)?
When handling lithium chloride hydrate (1:1:1) (CAS: 16712-20-2), it is importan...
Is 4-(4H-1,2,4-Triazol-4-yl)piperidine (CAS: 690261-92-8) safe?
4-(4H-1,2,4-Triazol-4-yl)piperidine is generally considered safe for use in phar...
How should waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) be handled?
Waste containing 1,3-Thiazole-2-carboxamide (CAS: 16733-85-0) should be collecte...
What regulatory guidelines apply to 5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3)?
5-(Difluoromethyl)-2-fluorobenzonitrile (CAS: 934175-58-3) is subject to regulat...
How is Methyl 3-acetamido-2-thiophenecarboxylate (CAS: 22288-79-5) typically synthesized?
Methyl 3-acetamido-2-thiophenecarboxylate can be synthesized by the reaction of ...
What is 4-Isoquinolinecarbonitrile (CAS: 34846-65-6)?
4-Isoquinolinecarbonitrile is a chemical compound with the CAS number 34846-65-6...
How should Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) be stored?
Store Methyl 1H-1,2,3-triazole-4-carboxylate (CAS: 877309-59-6) in a cool, dry p...
What regulatory guidelines apply to 6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8)?
6-Bromo[1,3]thiazolo[5,4-b]pyridin-2-amine (CAS: 1160791-13-8) is subject to the...
Is (2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) safe?
(2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) ...
What are the physical and chemical properties of 7-bromo-3-methyl-3,4-dihydroquinazolin-4-one (CAS: 1293987-84-4)?
7-Bromo-3-methyl-3,4-dihydroquinazolin-4-one is a solid with a crystalline form....
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.














![N-[2-(2-Pyridinyl)ethyl]-1-propanamine structure N-[2-(2-Pyridinyl)ethyl]-1-propanamine structure](https://static.chemtradehub.com/structs/554/55496-57-6-22b4.webp)