基于C=C双键调控的荧光探针用于粘度及亚硫酸氢根检测的机制研究
Mechanism Study on Fluorescent Probe for Viscosity and Bisulfite Detection Based on C=C Double Bond Regulation
DOI: 10.12677/japc.2025.143050, PDF,    科研立项经费支持
作者: 庞楚璇, 刘玉玲*：锦州医科大学附属第一医院，辽宁 锦州；彭永进：锦州医科大学智能医学学院，辽宁 锦州
关键词: 荧光探针；C=C双键；粘度检测；亚硫酸氢根；荧光机制；Fluorescent Probe； C=C Double Bond； Viscosity Detection； Bisulfite； Fluorescence Mechanism
摘要: 细胞与血液内的粘度及亚硫酸氢根浓度检测对疾病预测和治疗评估至关重要。近红外荧光探针因生物相容性佳、操作便捷，在医学检测中应用广泛，其荧光检测机制的解析对高效多功能探针设计意义重大。本文针对Wang等人设计的荧光探针，通过理论计算分析其检测机制：该探针的C=C双键具有高旋转自由度，低粘度环境下双键旋转使分子构象易转换，增加非辐射跃迁路径导致荧光较弱；高粘度环境抑制旋转，减少非辐射跃迁，荧光增强。同时，探针与亚硫酸氢根反应会破坏C=C双键，引发电子结构变化。自然自适应轨道分析显示C=C双键含优势σ键，能量扫描验证构象转换能垒与粘度的关联，电子激发分析证实其局域激发特性可保障荧光稳定性。研究结果为理解探针检测机制及设计新型探针提供理论参考。
Abstract: The detection of viscosity and bisulfite concentration in cells and blood is crucial for disease prediction and therapeutic evaluation. Near-infrared fluorescent probes have broad applications in medical testing due to their excellent biocompatibility and operational convenience. Understanding their fluorescence detection mechanism is key to designing efficient multifunctional probes. This study theoretically analyzed the detection mechanism of a fluorescent probe designed by Wang et al. The probe’s C=C double bond exhibits high rotational freedom; in low-viscosity environments, bond rotation enables easy conformational transitions, increasing non-radiative transition pathways and resulting in weak fluorescence. High viscosity inhibits rotation, reduces non-radiative transitions, and enhances fluorescence. Additionally, reaction with bisulfite disrupts the C=C bond, altering the electronic structure. Natural adaptive orbital analysis revealed dominant σ-bond character in the C=C bond, energy scans verified the correlation between conformational transition barriers and viscosity, and electronic excitation analysis confirmed localized excitation properties ensuring fluorescence stability. These findings provide theoretical insights for understanding probe mechanisms and developing new probes.
文章引用：庞楚璇, 彭永进, 刘玉玲. 基于C=C双键调控的荧光探针用于粘度及亚硫酸氢根检测的机制研究[J]. 物理化学进展, 2025, 14(3): 533-541. https://doi.org/10.12677/japc.2025.143050

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