Computational Chemistry-Assisted Design of a Dual-Function Fluorescent Probe for Viscosity Sensing in Liver Damage and SO 2  Detection  In Vitro

Liu, Qiye; Dong, Zehua; Chang, Chong Hyun; Chen, Shijun; Sun, Pingping; Shu, Wei; Zeng, Chaoyuan; Chi, Weijie

doi:10.1021/acs.analchem.4c06499

articleAnalytical ChemistryFeb 14, 2025Closed access

Computational Chemistry-Assisted Design of a Dual-Function Fluorescent Probe for Viscosity Sensing in Liver Damage and SO 2 Detection In Vitro

QLQiye Liu ZDZehua Dong CHChong Hyun Chang SCShijun Chen PSPingping Sun

Hainan University · Shandong University of Technology

PubMed

Indexed incrossrefpubmed

Abstract

Detection in separate fluorescence emission channels. The probe DX3-AXI exhibits significant fluorescence changes in the detection, demonstrating excellent interference resistance and a linear response. Through Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TDDFT) calculations, along with hole-electron molecular analysis, energy level structure, and molecular local attachment energy analysis, the mechanism of the dual-channel response of the DX3-AXI probe is systematically revealed, demonstrating that the regulation of interactions between the rotatable bond and double bond drives the fluorescence changes. Furthermore, a portable sensing platform for on-site sulfite detection in…

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42

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FWCI: 24.29
Percentile: 100%
References: 42

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8

Topics & keywords

Topics

Keywords

Chemistry
Fluorescence
Function (biology)
Dual (grammatical number)
Viscosity
In vitro
Nanotechnology
Biophysics

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