Hydrogen bond dynamics governs the effective photoprotection mechanism of plant phenolic sunscreens

doi:10.1039/c6pp00367b

	Hydrogen bond dynamics governs the effective photoprotection mechanism of plant phenolic sunscreens
	Liu, Fang 1; Du, Likai1 ; Lan, Zhenggang 2; Gao, Jun1
	2017-02-01
发表期刊	PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES
卷号	16 期号:2 页码:211-219
摘要	Sinapic acid derivatives are important sunscreen species in natural plants, which could provide protection from solar UV radiation. Using a combination of ultrafast excited state dynamics, together with classical molecular dynamics studies, we demonstrate that there is direct coupling of hydrogen bond motion with excited state photoprotection dynamics as part of the basic mechanism in solution. Beyond the intramolecular degree of freedom, the inter-molecular motions on all timescales are potentially important for the photochemical or photophysical events, ranging from the ultrafast hydrogen bond motion to solvent rearrangements. This provides not only an enhanced understanding of the anomalous experimental spectroscopic results, but also the key idea in the development of sunscreen agents with improved photo-chemical properties. We suggest that the hydrogen bond dynamics coupled excited state photoprotection mechanism may also be possible in a broad range of bio-related molecules in the condensed phase.
文章类型	Article
WOS标题词	Science & Technology ; Life Sciences & Biomedicine ; Physical Sciences
DOI	10.1039/c6pp00367b
关键词[WOS]	NONADIABATIC MOLECULAR-DYNAMICS ; INTRAMOLECULAR CHARGE-TRANSFER ; STATE PROTON-TRANSFER ; PHENYLPROPANOID METABOLISM ; METHOXY METHYLCINNAMATE ; ELECTRON-TRANSFER ; SINGLET-STATES ; PYXAID PROGRAM ; B RADIATION ; SPECTROSCOPY
收录类别	SCI
语种	英语
WOS研究方向	Biochemistry & Molecular Biology ; Biophysics ; Chemistry
项目资助者	National Natural Science Foundation of China(21503249 ; Huazhong Agricultural University Scientific & Technological Self-innovation Foundation(2015RC008) ; Fundamental Founds for the Central Universities(2662016QD011 ; Natural Science Foundation of Shandong Province(JQ201504) ; Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund ; 21373124 ; 2662015PY113) ; 21673266 ; 21543008)
WOS类目	Biochemistry & Molecular Biology ; Biophysics ; Chemistry, Physical
WOS记录号	WOS:000395697000011
引用统计
文献类型	期刊论文
条目标识符	http://ir.qibebt.ac.cn/handle/337004/9350
专题	先进材料理论与模拟团队（过去）
作者单位	1.Huazhong Agr Univ, Coll Informat, Hubei Key Lab Agr Bioinformat, Wuhan 430070, Peoples R China 2.Chinese Acad Sci, Qingdao Inst Bioenergy & Bioproc Technol, Key Lab Biobased Mat, Qingdao 266101, Peoples R China
推荐引用方式 GB/T 7714	Liu, Fang,Du, Likai,Lan, Zhenggang,et al. Hydrogen bond dynamics governs the effective photoprotection mechanism of plant phenolic sunscreens[J]. PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES,2017,16(2):211-219.
APA	Liu, Fang,Du, Likai,Lan, Zhenggang,&Gao, Jun.(2017).Hydrogen bond dynamics governs the effective photoprotection mechanism of plant phenolic sunscreens.PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES,16(2),211-219.
MLA	Liu, Fang,et al."Hydrogen bond dynamics governs the effective photoprotection mechanism of plant phenolic sunscreens".PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES 16.2(2017):211-219.