Theoretical investigation on a simple turn on fluorescent probe for detection of biothiols based on coumarin unit

The discovery of a simple and efficient detection method for biothiols would be scientifically significant due to the crucial role of them in various physiological processes. Recently, a simple fluorescent probe, DEMCA-NBSC, based on coumarin fragments, was developed by Ding et al., and provided an...

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Main Authors: Tianhao Ma, He Huang, Yuling Liu, Yongjin Peng
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-11-01
Series:Frontiers in Chemistry
Subjects:
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2023.1290745/full
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author Tianhao Ma
He Huang
Yuling Liu
Yongjin Peng
author_facet Tianhao Ma
He Huang
Yuling Liu
Yongjin Peng
author_sort Tianhao Ma
collection DOAJ
description The discovery of a simple and efficient detection method for biothiols would be scientifically significant due to the crucial role of them in various physiological processes. Recently, a simple fluorescent probe, DEMCA-NBSC, based on coumarin fragments, was developed by Ding et al., and provided an efficient way for real-time sensing of biothiols both in vivo and vitro. Theoretical insights to the fluorescence sensing mechanism of the probe were provided in this work. Details of the electron transfer process in the probe under optical excitation and the fluorescent character of the probe were analyzed using a quantum mechanical method. All these theoretical results could inspire the development of a highly convenient and efficient fluorescent probe to sense biothiols both in vivo and vitro.
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spelling doaj.art-c8eadccec980438c9be612f54ff7c06b2023-11-09T16:18:01ZengFrontiers Media S.A.Frontiers in Chemistry2296-26462023-11-011110.3389/fchem.2023.12907451290745Theoretical investigation on a simple turn on fluorescent probe for detection of biothiols based on coumarin unitTianhao Ma0He Huang1Yuling Liu2Yongjin Peng3Affiliated 3rd Hospital, Jinzhou Medical University, Jinzhou, ChinaCollege of Bio-Informational Engineering, Jinzhou Medical University, Jinzhou, ChinaCollege of Bio-Informational Engineering, Jinzhou Medical University, Jinzhou, ChinaCollege of Bio-Informational Engineering, Jinzhou Medical University, Jinzhou, ChinaThe discovery of a simple and efficient detection method for biothiols would be scientifically significant due to the crucial role of them in various physiological processes. Recently, a simple fluorescent probe, DEMCA-NBSC, based on coumarin fragments, was developed by Ding et al., and provided an efficient way for real-time sensing of biothiols both in vivo and vitro. Theoretical insights to the fluorescence sensing mechanism of the probe were provided in this work. Details of the electron transfer process in the probe under optical excitation and the fluorescent character of the probe were analyzed using a quantum mechanical method. All these theoretical results could inspire the development of a highly convenient and efficient fluorescent probe to sense biothiols both in vivo and vitro.https://www.frontiersin.org/articles/10.3389/fchem.2023.1290745/fullfluorescent probebiothiolsquantum mechanicalelectron transferproton transfer
spellingShingle Tianhao Ma
He Huang
Yuling Liu
Yongjin Peng
Theoretical investigation on a simple turn on fluorescent probe for detection of biothiols based on coumarin unit
Frontiers in Chemistry
fluorescent probe
biothiols
quantum mechanical
electron transfer
proton transfer
title Theoretical investigation on a simple turn on fluorescent probe for detection of biothiols based on coumarin unit
title_full Theoretical investigation on a simple turn on fluorescent probe for detection of biothiols based on coumarin unit
title_fullStr Theoretical investigation on a simple turn on fluorescent probe for detection of biothiols based on coumarin unit
title_full_unstemmed Theoretical investigation on a simple turn on fluorescent probe for detection of biothiols based on coumarin unit
title_short Theoretical investigation on a simple turn on fluorescent probe for detection of biothiols based on coumarin unit
title_sort theoretical investigation on a simple turn on fluorescent probe for detection of biothiols based on coumarin unit
topic fluorescent probe
biothiols
quantum mechanical
electron transfer
proton transfer
url https://www.frontiersin.org/articles/10.3389/fchem.2023.1290745/full
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AT hehuang theoreticalinvestigationonasimpleturnonfluorescentprobefordetectionofbiothiolsbasedoncoumarinunit
AT yulingliu theoreticalinvestigationonasimpleturnonfluorescentprobefordetectionofbiothiolsbasedoncoumarinunit
AT yongjinpeng theoreticalinvestigationonasimpleturnonfluorescentprobefordetectionofbiothiolsbasedoncoumarinunit