陈定芳 吴月峰 桂卉 贺玉婷 李海英 肖美凤 周晋 周逸群 邓凯文 贺福元

〔摘要〕 水光谱组学是一门研究水和水系统分子间氢键组成形态的新兴科学，它通过观察近红外光对水的作用所表征特征峰的变化来分析水系统中溶剂与溶质间的作用关系，且具有非侵入性、分析速度快和定性定量等特点，是研究中医经络及中药归经的有用工具。根据前期建立的中医药超分子“气析”理论，中药归经是中药成分客体与人体经络脏腑主体“印迹模板”自主选择性作用的结果，体现出以水为溶剂的体系的主体分子间非共价键作用特性，故水光谱组学可分析以水为溶剂系统人体的经络、腧穴、脏腑与中药分子的相互作用。本文先梳理水光谱组学的历史沿革、研究方法及其应用现状，再结合中药归经的超分子属性和亟待解决的主要问题，旨在阐明水光谱组学可用于测定人体经络脏腑的超分子结构特征，揭示具特殊基团“印迹模板”的中藥归经微观物质基础。因此，水光谱组学将成为研究中药归经理论的有利工具，也是促进中医药现代化的有效方法。

〔关键词〕 水光谱组学;近红外线;水;活性基团;中药归经理论;中医药现代化

〔中图分类号〕R28       〔文献标志码〕A        〔文章编号〕doi：10.3969/j.issn.1674-070X.2021.12.030

Current Status of Hydrospectromics Research and Its Special Impact on Meridian

Tropism Theory for the Chinese Materia Medica

CHEN Dingfang1，2， WU Yuefeng1，2， GUI Hui1，2， HE Yuting1，2， LI Haiying1，2， XIAO Meifeng1，2，3，

ZHOU Jin1，2，3， ZHOU Yiqun1，2，3， DENG Kaiwen4*， HE Fuyuan1，2，3，5*

（1. College of Pharmacy， Hunan University of Chinese Medicine， Changsha， Hunan 410208， China;

2. Property and Pharmacodaynamic Key Laboratory of TCM， State Administration of Chinese Medicine， Changsha， Hunan 410208， China; 3. Hunan Provincial Key Laboratory of Drugability and Preparation Modification of TCM， Changsha， Hunan 410208， China; 4. The First Affiliated Hospital of Hunan University of Chinese Medicine， Changsha， Hunan 410007， China;

5. Supramolecular Mechanism and Mathematic-Physics Chracterization for Chinese Materia Medica， Hunan University of

Chinese Medicine， Changsha， Hunan 410208， China）

〔Abstract〕 Aquaphotomics is an emerging science that studies the forming and its structure of hydrogen bonds among the pure water or water solvent systems. It analyzes the relationship between solvents and solutes in water systems by observing the changes in characteristic peaks interfered effectively by the near-infrared light， and has the characteristics of non-invasive， fast analysis and qualitative and quantitative analysis. It is a useful tool for studying the meridian for traditional Chinese medicine （TCM） and the meridian tropism for Chinese materia medica （CMM）. According to the theory of supramolecular “Qi chromatography” of TCM established previously， the CMM meridian tropism theory is regarded the result of the autonomous and selective interaction between the guest molecule of CMM and the host molecule of meridians and viscera in humanbody with “imprinting templates”， reflected the non-covalent bond characteristic interaction among the main molecules in water as solvent with solutes， so the aquaphotomics can monitor the process and results of molecular imprinting of meridians， acupoints， viscera by the CMM in the humanbody as water solvent system. This article has summarized the historical evolution of aquaphotomics， research methods and its application status， and thereby to combine the supramolecular properties and main problems in meridian tropism theory of the CMM that are urgently needed to clarify， and the illustration was given that the aquaphotomics can be used to determine the meridians and collaterals structure in the humanbody to reveal the characteristics of supramolecular structure with special “imprinting templates” groups as the microscopic material basis of TCM. Therefore， the aquaphotomics is a useful modern tool for studying the CMM meridian tropiam theory， as an effective method to promote the modernization of the TCM.

〔Keywords〕 aquaphotomics; near infrared; water; active group; the Chinese materia media meridian tropism theory; modernization of traditional Chinese medicine

水光谱组学主要借助化学计量学方法，研究水系统近红外光谱水吸收带在自身和环境中各种扰动因素（如温度、湿度、浓度、溶质等）的影响下光谱峰的变化规律[1]。其可用于确定水系……