Volatile Compound Profiles for Crude and Processed Baizhu Shaoyao San

Data from a study by Yangyang Xu characterizes volatile components in the Chinese herbal formula Baizhu Shaoyao San. The analysis identified 121 compounds in crude BSS and 123 in processed BSS, with 21 compounds selected as potential chemical markers for differentiation. The dataset supports research on the chemical transformation of traditional medicine processing.

Use Cases

• Apply principal component analysis (PCA) to the 121 and 123 identified volatile compounds to distinguish crude and processed BSS sample groups.
• Use orthogonal partial least squares-discriminant analysis (OPLS-DA) with the identified compounds to build a model for classifying BSS processing states.
• Analyze the 21 potential marker compounds from S-PLOT and VIP analyses to develop a rapid quality control test for BSS.
• Model the chemical transformation of BSS by comparing the volatile component profiles before and after processing.

Strengths

• Contains profiles for 121 volatile compounds in crude BSS and 123 in processed BSS, providing a detailed chemical comparison.
• Identifies 21 specific compounds as potential markers for differentiating the two sample types.
• Data is derived from a systematic GC–MS-based needle trap device method combined with multivariate statistical analysis.

Limitations

• Dataset scope is limited to volatile components only, excluding non-volatile chemical constituents of the herbal formula.
• Sample size and number of individual BSS batches analyzed are not specified in the provided description.
• Data is static from a single study published in 2020, with no indication of ongoing updates or expansion.

Provenance

Source

Yangyang Xu, via Dryad.

Collection Method

Volatile components were globally profiled using a GC–MS-based needle trap device with a triple-bed sorbent needle, followed by multivariate data analysis (PCA, OPLS-DA).

Freshness

Last updated 2020-06-24.