Data_Sheet_2_Widely Targeted Metabolomics Analysis to Reveal Transformation Mechanism of Cistanche Deserticola Active Compounds During Steaming and Drying Processes.XLSX

Cistanche deserticola is one of the most precious plants, traditionally as Chinese medicine, and has recently been used in pharmaceutical and healthy food industries. Steaming and drying are two important steps in the processing of Cistanche deserticola. Unfortunately, a comprehensive understanding of the chemical composition changes of Cistanche deserticola during thermal processing is limited. In this study, ultra-performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS)-based widely targeted metabolomics analysis was used to investigate the transformation mechanism of Cistanche deserticola active compounds during steaming and drying processes. A total of 776 metabolites were identified in Cistanche deserticola during thermal processing, among which, 77 metabolites were differentially regulated (p < 0.05) wherein 39 were upregulated (UR) and 38 were downregulated (DR). Forty-seven (17 UR, 30 DR) and 30 (22 UR, 8 DR) differential metabolites were identified during steaming and drying, respectively. The most variation of the chemicals was observed during the process of steaming. Metabolic pathway analysis indicated that phenylpropanoid, flavonoid biosynthesis, and alanine metabolism were observed during steaming, while glycine, serine, and threonine metabolism, thiamine metabolism, and unsaturated fatty acid biosynthesis were observed during drying. The possible mechanisms of the chemical alterations during thermal processing were also provided by the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis. Furthermore, the blackening of the appearance of Cistanche deserticola mainly occurred in the steaming stage rather than the drying stage, which is associated with the metabolism of the amino acids. All results indicated that the formation of active compounds during the processing of Cistanche deserticola mainly occurred in the steaming stage.

Cistanche deserticola（肉苁蓉）乃最珍贵之植物之一，传统上作为中药材使用，近年来在制药和健康食品产业中亦得到广泛应用。蒸煮与干燥系肉苁蓉加工过程中的两大关键步骤。遗憾的是，对肉苁蓉在热处理过程中化学成分变化之全面理解尚显不足。本研究采用基于超高效液相色谱串联质谱（UHPLC-MS/MS）的广谱代谢组学分析，旨在探究肉苁蓉活性成分在蒸煮与干燥过程中的转化机制。在热处理过程中，共鉴定出776种代谢物，其中77种代谢物表现出差异调节（p < 0.05），其中39种上调（UR），38种下调（DR）。分别于蒸煮和干燥过程中鉴定出47种（17 UR，30 DR）和30种（22 UR，8 DR）差异代谢物。化学成分变化最为显著的阶段为蒸煮过程。代谢途径分析显示，在蒸煮过程中观察到苯丙素、黄酮类生物合成以及丙氨酸代谢；而在干燥过程中观察到甘氨酸、丝氨酸、苏氨酸代谢、硫胺素代谢以及不饱和脂肪酸生物合成。京都基因与基因组百科全书（KEGG）途径分析亦提供了热处理过程中化学变化的可能机制。此外，肉苁蓉外观的变黑主要发生在蒸煮阶段而非干燥阶段，这与氨基酸的代谢密切相关。所有结果均表明，肉苁蓉加工过程中活性成分的形成主要发生在蒸煮阶段。