Influence of sulfur fumigation on the chemical profiles of Atractylodes macrocephala Koidz. evaluated by UFLC–QTOF–MS combined with multivariate statistical analysis

• Published in: Journal of pharmaceutical and biomedical analysis 2017-07, Vol.141, p.19-31
• Main Authors: Sun, Xue, Cui, Xiao-bing, Wen, Hong-mei, Shan, Chen-xiao, Wang, Xin-zhi, Kang, An, Chai, Chuan, Li, Wei
• Format: Article
• Language: English
• Subjects: Atractylodes; Atractylodes macrocephala Koidz; Characteristic chemical markers; Chromatography, High Pressure Liquid; Fumigation; Holistic quality evaluation; Mass Spectrometry; Multivariate Analysis; Multivariate statistical analysis; Sulfur; Sulfur fumigation; UFLC–QTOF–MS
• ISSN: 0731-7085; 1873-264X
• DOI: 10.1016/j.jpba.2017.03.003

•The chemical compositions of Atractylodes macrocephala Koidz. (AMK) were analyzed systematically and influence of sulfur fumigation on the chemical profiles was evaluated by UFLC–QTOF–MS combined with multivariate statistical analysis.•52 components were examined from non-fumigated AMK (NF-AMK) and 28 compounds were newly produced after sulfur fumigation, out of which 59 major peaks were identified.•Eight sulfur-containing/dehydrated-integrated atractylenolides that evolved from the NF-AMK were screened out as potential characteristic chemical markers to examine the post-harvest handling procedures of commercial AMK with excessive sulfur fumigation. In the present study, the chemical compositions of Atractylodes macrocephala Koidz. (AMK) were analyzed systematically and influence of sulfur fumigation on the chemical profiles was evaluated by ultrafast flow liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry (UFLC–QTOF–MS) combined with multivariate statistical analysis. 52 components were detected from non-fumigated AMK (NF-AMK) and 28 components were newly produced after sulfur fumigation, out of which 59 major peaks were identified. The concentrations of 20 compounds significantly decreased and 37 compounds obviously increased. The potential structural transformation mechanism of terpenoids was explored to illustrate the correlation of the components contents before and after sulfur fumigation. Eight sulfur-containing/dehydrated-integrated atractylenolides that evolved from the NF-AMK were screened out as potential characteristic chemical markers to examine the post-harvest handling procedures of commercial AMK with excessive sulfur fumigation and maintain consistent quality.