DICP OpenIR
Glutathione sensing mechanism of a fluorescent probe: Excited state intramolecular proton transfer and photoinduced electron transfer
Li, Yang1,3; Zhao, Jin-Feng1; Chu, Tian-Shu1,2
Corresponding AuthorChu, Tian-Shu(tschu@dicp.ac.cn)
KeywordFluorescent probe Density functional theory Excited state intramolecular proton transfer Photoinduced electron transfer Intramolecular charge transfer
Source PublicationJOURNAL OF LUMINESCENCE
2018-12-01
ISSN0022-2313
DOI10.1016/j.jlumin.2018.08.073
Volume204Pages:642-648
Funding ProjectNational Natural Science Foundation of China[21273234] ; National Natural Science Foundation of China[11604333] ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS[SKLMRD-K201817]
Funding OrganizationNational Natural Science Foundation of China ; National Natural Science Foundation of China ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS
WOS SubjectOptics
WOS Research AreaOptics
WOS KeywordSET MODEL CHEMISTRY ; LIVING CELLS ; ANISOTROPIC DIELECTRICS ; DESIGN STRATEGIES ; HYDROGEN-SULFIDE ; CHARGE-TRANSFER ; TOTAL ENERGIES ; HOMOCYSTEINE ; CYSTEINE ; DISCRIMINATION
AbstractIn this work, the fluorescence turn-on mechanism of glutathione probe azido-substituted 2-(2'-hydroxyphenyl) benzoxazole derivative (AHBO) has been thoroughly studied based on the density functional theory and time-dependent density functional theory methods. The constructed potential energy curves demonstrate that the proton transfer (PT) processes of the probe AHBO and the final product AHBOG after the glutathione-azide reaction are more likely to occur in the first excited state than in the ground state. Results of frontier molecular orbital analyses show that the S-1 state of AHBO is a complete charge-separation state, and the non-radiative acceptor-excited photoinduced electron transfer (a-PET, fluorophore as the electron acceptor) from the excited azide group to the 2-(2'-hydroxyphenyl) benzoxazole (HBO) would take place upon photoexcitation, which is responsible for the fluorescence quenching of the probe AHBO. Whereas, without the electron-rich azide group, the product AHBOG undergoes the excited state intramolecular proton transfer (ESIPT) in conjunction with the weak intramolecular charge transfer (ICT) process in the S-1 state. The absence of the a-PET and the two processes mentioned above provide explanations for the fluorescent enhancement observed with the product AHBOG.
Language英语
Funding OrganizationNational Natural Science Foundation of China ; National Natural Science Foundation of China ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS
WOS IDWOS:000445668900091
PublisherELSEVIER SCIENCE BV
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/166977
Collection中国科学院大连化学物理研究所
Corresponding AuthorChu, Tian-Shu
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Qingdao Univ, Inst Computat Sci & Engn, Growing Base State Key Lab, Lab New Fiber Mat & Modern Text, Qingdao 266071, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Li, Yang,Zhao, Jin-Feng,Chu, Tian-Shu. Glutathione sensing mechanism of a fluorescent probe: Excited state intramolecular proton transfer and photoinduced electron transfer[J]. JOURNAL OF LUMINESCENCE,2018,204:642-648.
APA Li, Yang,Zhao, Jin-Feng,&Chu, Tian-Shu.(2018).Glutathione sensing mechanism of a fluorescent probe: Excited state intramolecular proton transfer and photoinduced electron transfer.JOURNAL OF LUMINESCENCE,204,642-648.
MLA Li, Yang,et al."Glutathione sensing mechanism of a fluorescent probe: Excited state intramolecular proton transfer and photoinduced electron transfer".JOURNAL OF LUMINESCENCE 204(2018):642-648.
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