Role of base arrangements and intermolecular hydrogen bonding in charge-transfer states of thymine-adenine dinucleotide in aqueous solution

doi:10.1016/j.jphotochem.2017.01.001

	Role of base arrangements and intermolecular hydrogen bonding in charge-transfer states of thymine-adenine dinucleotide in aqueous solution
	Yang, Songqiu 1; Luo, Jian 1,2; Liu, Yan 1,2
刊名	JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY
	2017-03-15
卷号	337 页码:1-5
关键词	Dna Photodynamics Ss-pcm Base Arrangement
ISSN号	1010-6030
DOI	10.1016/j.jphotochem.2017.01.001
文献子类	Article
英文摘要	Charge-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.
WOS关键词	EXCITED-STATES ; CONFORMATIONAL CONTROL ; DNA STRANDS ; DYNAMICS ; FLUORESCENCE ; SPECTROSCOPY ; PHOTOPHYSICS ; PHASE ; PHOTODIMERIZATION ; PHOTOCHEMISTRY
WOS研究方向	Chemistry
语种	英语
出版者	ELSEVIER SCIENCE SA
WOS记录号	WOS:000397376900001
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/169328]
专题	大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者	Yang, Songqiu
作者单位	1.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
推荐引用方式 GB/T 7714	Yang, Songqiu,Luo, Jian,Liu, Yan. 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	Yang, Songqiu,Luo, Jian,&Liu, Yan.(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	Yang, Songqiu,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.