DICP OpenIR
Role of base arrangements and intermolecular hydrogen bonding in charge-transfer states of thymine-adenine dinucleotide in aqueous solution
Luo, Jian1,2; Liu, Yan1,2; Yang, Songqiu1
KeywordDna Photodynamics Ss-pcm Base Arrangement
Source PublicationJOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
2017-03-15
ISSN1010-6030
DOI10.1016/j.jphotochem.2017.01.001
Volume337Pages:1-5
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical
WOS Research AreaChemistry
WOS KeywordEXCITED-STATES ; CONFORMATIONAL CONTROL ; DNA STRANDS ; DYNAMICS ; FLUORESCENCE ; SPECTROSCOPY ; PHOTOPHYSICS ; PHASE ; PHOTODIMERIZATION ; PHOTOCHEMISTRY
AbstractCharge-transfer (CT) states of thymine-adenine deoxy-dinucleotide (TpdA) were studied by using the UV vis spectroscopy, molecular dynamics simulations and time-dependent density functional theory. Two CT states emitting distinguished fluorescence are found in TpdA. They are derived from two base arrangements of adenine and thymine. Intermolecular hydrogen bonding interactions with water prevent the stacked bases from approaching too closely in the CT states. The thymine ring is planar in the CT states and the sugar of adenine should adopt C2-endo puckering. Without water, TpdA might form a photoproduct or relax to a CT state with a "boat-like" thymine ring. (C) 2017 Elsevier B.V. All rights reserved.
Language英语
WOS IDWOS:000397376900001
PublisherELSEVIER SCIENCE SA
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/169329
Collection中国科学院大连化学物理研究所
Corresponding AuthorYang, Songqiu
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, 457 Zhongshan Rd, Dalian 116023, Liaoning, Peoples R China
2.Chinese Acad Sci, Grad Univ, Beijing 10049, Peoples R China
Recommended Citation
GB/T 7714
Luo, Jian,Liu, Yan,Yang, Songqiu. Role of base arrangements and intermolecular hydrogen bonding in charge-transfer states of thymine-adenine dinucleotide in aqueous solution[J]. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,2017,337:1-5.
APA Luo, Jian,Liu, Yan,&Yang, Songqiu.(2017).Role of base arrangements and intermolecular hydrogen bonding in charge-transfer states of thymine-adenine dinucleotide in aqueous solution.JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY,337,1-5.
MLA Luo, Jian,et al."Role of base arrangements and intermolecular hydrogen bonding in charge-transfer states of thymine-adenine dinucleotide in aqueous solution".JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY 337(2017):1-5.
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