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Title:
Hydrogen bond dynamics governs the effective photoprotection mechanism of plant phenolic sunscreens
Author: Liu, Fang1; Du, Likai1; Lan, Zhenggang2; Gao, Jun1
Source: PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES
Issued Date: 2017-02-01
Volume: 16, Issue:2, Pages:211-219
DOI: 10.1039/c6pp00367b
DOC Type: Article
English Abstract: 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.
WOS Headings: Science & Technology ; Life Sciences & Biomedicine ; Physical Sciences
WOS Subject: Biochemistry & Molecular Biology ; Biophysics ; Chemistry, Physical
WOS Subject Extended: Biochemistry & Molecular Biology ; Biophysics ; Chemistry
WOS Keyword Plus: NONADIABATIC MOLECULAR-DYNAMICS ; INTRAMOLECULAR CHARGE-TRANSFER ; STATE PROTON-TRANSFER ; PHENYLPROPANOID METABOLISM ; METHOXY METHYLCINNAMATE ; ELECTRON-TRANSFER ; SINGLET-STATES ; PYXAID PROGRAM ; B RADIATION ; SPECTROSCOPY
Indexed Type: SCI
Funder: 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)
Language: 英语
WOS ID: WOS:000395697000011
Citation statistics:
Content Type: 期刊论文
URI: http://ir.qibebt.ac.cn/handle/337004/9350
Appears in Collections:先进材料理论与模拟团队_期刊论文

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description.institution: 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

Recommended Citation:
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.
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