“数学分离”赋能的高效液相色谱法测定化妆品中的苯二酚异构体

引用本文: 王童, 胡梁榆, 陈诗琪, 傅鑫强, 王瑞, 李昆, 宦双燕. “数学分离”赋能的高效液相色谱法测定化妆品中的苯二酚异构体[J]. 大学化学, 2026, 41(1): 9-19. doi: 10.12461/PKU.DXHX202503128 shu

Citation: Tong Wang, Liangyu Hu, Shiqi Chen, Xinqiang Fu, Rui Wang, Kun Li, Shuangyan Huan. Determination of Benzenediol Isomers in Cosmetics Using High-Performance Liquid Chromatography Empowered by “Mathematical Separation”[J]. University Chemistry, 2026, 41(1): 9-19. doi: 10.12461/PKU.DXHX202503128 shu

“数学分离”赋能的高效液相色谱法测定化妆品中的苯二酚异构体

湖南大学化学化工学院, 化学生物传感全国重点实验室, 基础化学国家级实验教学示范中心(湖南大学), 教育部分析化学课程虚拟教研室, 长沙 410082

通讯作者: 李昆，E-mail:kunli@hnu.edu.cn; 宦双燕，E-mail:syhuan@hnu.edu.cn

基金项目:
国家自然科学基金(22204049)；湖南省教育厅科学研究重点项目(23A0028)

摘要: 高效液相色谱实验是化学专业的重要仪器分析实验，然而目前实验教学中的传统高效液相色谱实验往往分析对象过于简单，离实际应用较远，且缺乏前沿性和趣味性。更重要的是，经典教学实验中的色谱定量分析基于物理/化学分离，其效率和通用性有待提高，且无法落实“数字化”技术在高等教育中的应用。因此，我们结合“数字化”技术设计了一个新的色谱实验——“数学分离”赋能的高效液相色谱法测定化妆品中的苯二酚异构体。传统高效液相色谱法测定化妆品中非法添加的对苯二酚、邻苯二酚、间苯二酚时存在色谱峰重叠、未知干扰影响、方法难以移植等问题。本实验针对上述问题，采用化学计量学“数学分离”技术解析高效液相色谱数据，无需对样品进行繁琐预处理，便能在色谱峰重叠和存在未知干扰的情况下获得各成分的完全选择性信号，进而实现复杂化妆品体系中三种同分异构体的精准定量。本实验将传统实验进行数字化改进，培养学生创新思维、提升学生的数智素养；通过“数学分离”打造了强大的“3S+3A”分析方法，不仅提升了学生综合解决问题的能力，也为色谱检测标准方法的制定提供了创新思路；立足于真实的化妆品检验场景，培养学生的实践能力与职业素养，并深入贯彻绿色分析化学的理念。

关键词:

English

Determination of Benzenediol Isomers in Cosmetics Using High-Performance Liquid Chromatography Empowered by “Mathematical Separation”

Virtual Teaching and Research Section of Analytical Chemistry Course, National Demonstration Center for Experimental Fundamental Chemistry Education (Hunan university), State Key Laboratory of Chemo and Biosensing, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, China

Corresponding author: Kun Li, ; Shuangyan Huan,

Received Date: 03 July 2025
Revised Date: 27 August 2025
Available Online: 23 September 2025

Abstract: High-performance liquid chromatography (HPLC) experiment is an important instrumental analysis experiment for chemistry majors. However, conventional HPLC experiments designed for instructional purposes often employ oversimplified analytes, making them lack practicality, cutting-edge relevance, and engagement. Crucially, the quantitative chromatographic analysis in traditional teaching laboratories relies on physical/chemical separation, exhibiting suboptimal efficiency and universality while failing to incorporate digital technologies in higher education. To address these limitations, we developed an innovative chromatographic experiment integrating digital technology: the determination of benzenediol isomers in cosmetics through mathematical separation-enhanced HPLC. Conventional HPLC methods for detecting illegally added hydroquinone, catechol, and resorcinol in cosmetic products face challenges including peak overlap, unknown interferences, and poor method transferability. Our approach employs chemometric mathematical separation techniques to resolve HPLC data, eliminating the need for extensive sample pretreatment. This methodology successfully obtains fully selective signals for each component despite peak coelution and unknown matrix effects, enabling precise quantification of three isomers in complex cosmetic matrices. This digitally enhanced experiment fosters students’ innovative thinking and develops their digital literacy. The implementation of “mathematical separation” establishes a robust “3S+3A” analytical approach that not only enhances students’ comprehensive problem-solving abilities but also provides innovative ideas for establishing standard chromatographic detection methods. Rooted in real cosmetic analysis scenarios, it fosters students’ practical skills and professional competence while thoroughly implementing the concept of green analytical chemistry.

Key words:

Benzenediol
/ High-performance liquid chromatography
/ Mathematical separation
/ Alternating trilinear decomposition algorithm

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“数学分离”赋能的高效液相色谱法测定化妆品中的苯二酚异构体

通讯作者: 李昆，E-mail:kunli@hnu.edu.cn; 宦双燕，E-mail:syhuan@hnu.edu.cn

English

Determination of Benzenediol Isomers in Cosmetics Using High-Performance Liquid Chromatography Empowered by “Mathematical Separation”

Corresponding author: Kun Li, ; Shuangyan Huan,

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南：你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

“数学分离”赋能的高效液相色谱法测定化妆品中的苯二酚异构体

通讯作者: 李昆，E-mail:kunli@hnu.edu.cn; 宦双燕，E-mail:syhuan@hnu.edu.cn

English

Determination of Benzenediol Isomers in Cosmetics Using High-Performance Liquid Chromatography Empowered by “Mathematical Separation”

Corresponding author: Kun Li, ; Shuangyan Huan,

CCS Chemistry：嵌段共聚物自组装成 “三明治”二维有机材料，实现纳米级压力传感功能

CCS Chemistry：颜徐州、鲍哲南： 你的皮肤可能是一片SPMs

CCS Chemistry：工作高效不疲劳，只须让催化剂动起来

CCS Chemistry：静电组装导向聚合- 聚电解质纳米凝胶量化制备新策略

CCS Chemistry：金黄色葡萄球菌醛基脱氢酶是如何识别特异性底物的？

计量

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通讯作者: 陈斌, bchen63@163.com

中国化学会秘书处

CCS Chemistry：颜徐州、鲍哲南：你的皮肤可能是一片SPMs