基于Heracles NEO超快速气相电子鼻麸炒白术炮制全过程气味变化识别研究

目的 建立麸炒白术Atractylodis Macrocephalae Rhizoma炮制全过程的定性判别模型，筛选出可以表征麸炒白术不同炮制程度的气味成分。方法 制备麸炒白术饮片，不同时间点取样进行分析。采用Heracles NEO超快速气相电子鼻采集气味图谱，与Arochembase数据库对比得到气味成分信息，结合峰面积分析气味成分的变化规律并进行化学计量学分析。结果 通过判别因子分析（discriminant factor analysis,DFA）、正交偏最小二乘-判别分析（orthogonal partial least squaresdiscriminant analysis,OPLS-DA）、层次聚类分析（hierarchical cluster analysis,HCA）等将麸炒白术炮制全过程样品成功分为4类：生品、炮制不及、炮制成品和炮制太过。在炮制过程中，3-甲基十五烷、十二烷基丙酸酯、正辛基环己烷、1,3-二硝基苯、8-甲基十五烷5个气味成分的峰面积占比较高，其中1,3-二硝基苯在炮制全过程中峰面积呈降低趋势；3-甲基十五烷从炮制不及到炮制成品的过程中峰面积呈增加...

Identification of odor changes in whole process of Atractylodis Macrocephalae Rhizoma processing based on Heracles NEO ultra-fast gas phase electronic nose

Objective Establish a qualitative discriminant model for the whole process of Baizhu (Atractylodis Macrocephalae Rhizoma, AMR) stir-fried with wheat bran (wbAMR), and screen out the odor components that can characterize the different processing degrees wbAMR. Methods AMR decoction pieces with different processing time were prepared by wheat bran stir-frying method. The odor spectrum was collected by ultra-high-speed gas phase electronic nose, and the odor component information was obtained by comparing with the Arochembase database. The variation of odor components was analyzed by peak area and chemometrics analysis was carried out. Results Through discriminant factor analysis (DFA), orthogonal partial least squares-discriminant analysis (OPLS-DA), hierarchical cluster analysis (HCA), etc., the whole process samples of wbAMR were successfully divided into four categories:raw products, less processed, processed products and processed too much. The peak area of 1,3-dinitrobenzene showed a decreasing trend during the whole processing process. The peak area of 3-methylpentadecane showed an increasing trend from raw products to less processed, and the peak area showed a decreasing trend from processed products to processed too much. The peak area of dodecyl propionate decreased from raw products to less processed and from processed products to processed too much. The peak area of n-octylcyclohexane and 8-methylpentadecane showed a decreasing trend from raw products to less processed products, an increasing trend from less processed products to processed products, and a decreasing trend from processed products to processed too much. And the variable importance projection values of the above five odor components were all greater than 1. Conclusion Heracles NEO ultra-fast gas phase electronic nose can qualitatively distinguish the samples of different processing degrees of wbAMR by odor. The changes of 5 odor components of 3-methylpentadecane, dodecyl propionate, n-octylcyclohexane, 1,3-dinitrobenzene and 8-methylpentadecane can be used as the basis for judging the different processing degrees of wbAMR.