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Fluorescent Probe for Simultaneous Detection of Human Serum Albumin and Sulfur Dioxide: A Theoretical Analysis
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  • ang jia,
  • he huang,
  • zhong-fu zuo,
  • xuezheng liu,
  • Yongjin Peng
ang jia
First Affiliated Hospital of Jinzhou Medical University
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he huang
Jinzhou Medical University
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zhong-fu zuo
Jinzhou Medical University
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xuezheng liu
Jinzhou Medical University
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Yongjin Peng
Jinzhou Medical University
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Abstract

A small molecule probe for simultaneous detection of HSA and SO2 via their distinct fluorescent signals was designed recently. This effective tool provided a significant boost in understand underlying mechanism of synergistic action between SO2 and HSA in disease. The structure and fluorescent character of this probe molecule were studied under density functional theory in this work. The different stable conformations of probe C23 were found through theoretical method which explained the no experimental fluorescent character of the probe itself. The electron excitation analysis indicated the charge transfer process in the restricted C23 (binding to the hydrophobic cavity of HSA) and CS (C23 reaction with SO2) when the molecules were under optical excitation. The theoretical results could be helpful for understanding the electronical properties in the probe and providing the insights for designing new probe molecules.

Peer review status:UNDER REVIEW

28 Sep 2021Submitted to International Journal of Quantum Chemistry
29 Sep 2021Assigned to Editor
29 Sep 2021Submission Checks Completed
29 Sep 2021Reviewer(s) Assigned