目的 探索瑞香狼毒Stellera chamaejasme醋制前、后颜色与气味差异，为瑞香狼毒及其醋制品质量评价提供科学依据。方法 以生、醋瑞香狼毒为研究对象，采用分光测色计测定色度值，采用气相色谱-离子迁移谱（gas chromatography-ion mobility spectrometry，GC-IMS）测定挥发性有机物，结合t检验、相似度评价、主成分分析（principal component analysis，PCA）、层次聚类分析（hierarchical cluster analysis，HCA）、正交偏最小二乘-判别分析（orthogonal partial least squares-discriminant analysis，OPLS-DA）、变量重要性投影（variable importance projection，VIP）等多元统计方法，系统地比较瑞香狼毒醋制前、后颜色与气味的差异。结果 醋制后瑞香狼毒明亮度值（L^*）与总色度值（E^*）显著降低（P＜0.01），红绿色度值（a^*）与黄蓝色度值（b^*）明显增加（P＜0.05、0.01），颜色由浅黄向红褐色转变。GC-IMS共鉴定出51种挥发性有机物，包括醛类、醇类、酯类、酮类等，其中酸类成分相对含量由15.65%升至50.51%，酯类由5.38%增至6.18%，而醇类、醛类、芳香烃等显著减少（P＜0.01）。多元统计分析表明，瑞香狼毒醋制前、后存在显著差异，PCA、HCA、OPLS-DA均可将生品与醋制品分为2类，VIP分析筛选出乙酸、异硫氰酸烯丙酯、1-羟基-2-丙酮、3-羟基-2-丁酮、正戊醛、丁苯等8个标志性差异成分。结论 瑞香狼毒醋制后颜色与气味差异显著，分光测色计与GC-IMS结合化学计量学方法可客观量化其变化特征，为建立瑞香狼毒醋制品质量标准及临床精准用药提供数据支持。

Objective To explore the differences in color and odor of Stellera chamaejasme (SC) before and after vinegar processing, and provide a scientific foundation for the quality assessment of SC and its vinegar-processed products. Methods Using raw and vinegar-processed SC as the research objects, the chromaticity values were measured with a spectrophotometer, and the volatile organic compounds were determined by gas chromatography-ion mobility spectrometry (GC-IMS). The differences in color and odor of SC before and after vinegar processing were systematically compared through multiple statistical approaches, including the t-test, similarity evaluation, principal component analysis (PCA), hierarchical cluster analysis (HCA), orthogonal partial least squares-discriminant analysis (OPLS-DA), and variable importance projection (VIP) analysis. Results After vinegar processing, the lightness value (L^*) and total chromaticity value (E^*) of SC significantly decreased (P < 0.01), while the red-green value (a^*) and yellow-blue value (b^*) significantly increased (P < 0.05, 0.01, respectively), and the color transformed from light yellow to reddish-brown. A total of 51 volatile organic compounds were identified by GC-IMS, including aldehydes, alcohols, esters, ketones, etc. The relative content of acid components rose from 15.65% to 50.51%, and the content of esters increased from 5.38% to 6.18%, while alcohols, aldehydes, aromatic hydrocarbons, etc. significantly decreased (P < 0.01). Multivariate statistical analyses demonstrated that there were significant differences between raw and vinegar-processed SC. Both PCA, HCA, and OPLS-DA could classify raw and vinegar-processed SC into two categories. VIP analysis screened out eight differential marker components, namely acetic acid, allyl isothiocyanate, 1-hydroxy-2-acetone, 3-hydroxy-2-butanone, n-pentanal, butylbenzene, etc. Conclusion There are remarkable differences in color and odor between raw and vinegar-processed SC. The combination of spectrophotometer and GC-IMS with chemometrics methods can Objectively quantify its changing characteristics, offering data support for establishing the quality standards of vinegar-processed SC and precise clinical medication.

R283.6

2024年度蒙医药标准化研究项目（2024-MB002）；国家中医药管理局中药炮制技术传承基地建设项目（2022年）