大学化学 >> 2026, Vol. 41 >> Issue (10): 226-238.doi: 10.12461/PKU.DXHX202509092

化学实验 上一篇    

数字化技术在共轭聚合物探针检测全氟烷基化合物中的应用——微观机理探究与可视定量分析

张军杰1, 李锦科1, 董超超1, 郭嘉文1, 王悦1,2, 水英鑫1   

  1. 1 西安交通大学化学学院, 陕西 西安 710049;
    2 西安交通大学药学院, 陕西 西安 710061
  • 收稿日期:2025-09-18 录用日期:2025-11-05 发布日期:2026-10-13
  • 通讯作者: 张军杰 E-mail:junjiezhang@xjtu.edu.cn Junjie Zhang
  • 基金资助:
    教育部供需对接就业育人项目(2024032505076)，教育部产学合作协同育人项目(241003242182935)，西安交通大学本科实验实践与创新创业教育教学改革研究专项(24SJZX06)，西安交通大学本科教学改革研究项目(2405Y)

Digital-enhanced detection of perfluoroalkyl substances with conjugated polymer-based probes: mechanistic insights and visual quantitative analysis

Junjie Zhang1, Jinke Li1, Chaochao Dong1, Jiawen Guo1, Yue Wang1,2, Yingxin Shui1   

  1. 1 School of Chemistry, Xi'an Jiaotong University, Xi'an 710049, Shaanxi Province, China;
    2 School of Pharmacy, Xi'an Jiaotong University Xi'an 710061, Shaanxi Province, China
  • Received:2025-09-18 Accepted:2025-11-05 Published:2026-10-13
  • Contact: Junjie Zhang E-mail:junjiezhang@xjtu.edu.cn

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摘要： 本研究面向全氟烷基化合物污染这一重大环境与健康问题，构建了一个基于共轭聚合物检测技术的本科生综合教学实验。实验整合材料化学、有机化学、分析化学、仪器分析等多学科前沿知识，具备良好的综合性与系统性。针对原科研方案中检测机理抽象难懂、依赖大型荧光分光光度计等教学实施难点，本项目引入数字化技术方法：借助Gaussian软件帮助学生在原子、分子尺度更直观地分析检测机理，深化对“结构-性能”构效关系的理解；采用数字化技术设计智能检测程序，搭建便携式检测设备，降低对大型仪器的依赖，提升实验的可及性。实验内容主要包括共轭聚合物的合成及表征、数字化微观机理探究、数字化可视便携检测三部分，创新性地让学生在实验课堂自主实现对实际水体中全氟辛酸的可视化准确定量检测。实验安全性高、可操作性强，实验时长12小时，适合在高年级学生“综合化学实验”中开设，培养学生的动手能力、科学素养、综合解决复杂问题的能力和创新能力。

关键词: 共轭聚合物, 全氟烷基化合物, 数字化技术, 可视检测

Abstract: This study addresses the critical environmental and health challenges posed by perfluoroalkyl substance (PFAS) contamination through the development of an integrated undergraduate teaching experiment based on conjugated polymer sensing technology. The experiment integrates cutting-edge knowledge from multiple disciplines including materials chemistry, organic chemistry, analytical chemistry, and instrumental analysis, demonstrating strong comprehensiveness and systematicity. To overcome pedagogical limitations in the original research protocol—particularly the abstract detection mechanism and dependence on bulky fluorescence spectrophotometers—this project incorporates digital solutions. Specially, gaussian software is employed to enable atomic/molecular-level visualization of detection mechanisms to enhance students’ understanding of structure-property relationships. Furthermore, digital technologies facilitate the development of smart detection protocols and portable devices, significantly improving accessibility by reducing reliance on large instruments. The experimental workflow comprises three key components: synthesis and characterization of conjugated polymers, digital investigation of microscopic mechanisms, and portable digital visualization detection. This innovative approach enables students to independently achieve visual quantitative detection of perfluorooctanoic acid (PFOA) in real water samples during laboratory sessions. With high safety standards and operational feasibility within a 12-hour timeframe, this experiment is ideally suited for advanced Comprehensive Chemistry Laboratory courses, effectively cultivating students’ practical skills, scientific literacy, and capacity for innovative problem-solving in complex scenarios.

Key words: Conjugated polymers, Perfluoroalkyl compounds, Digital technology, Visual detection