Strategy for the multi‐component characterization and quality evaluation of volatile organic components in Kaixin San by correlating the analysis by headspace gas chromatography/ion mobility spectrometry and headspace gas chromatography/mass spectrometry

Abstract

Rationale: Kaixin San (KXS) is a prescription traditional Chinese medicine (TCM) with the effects of "tonifying the kidney and brain" and "improving memory". The volatile organic compounds (VOCs) in KXS could effectively improve senile dementia and depression, but only few studies have focused on the overall characterization of VOCs in KXS and the quantitative study of the main active components. Methods:We have developed a strategy to correlate the results from headspace gas chromatography/ion mobility spectrometry (HS-GC/IMS) and headspace gas chromatography/mass spectrometry (HS-GC/MS) for the comprehensive characterization of VOCs in KXS and the quantitative analysis of the main pharmacodynamic substances.Results: A totsal of 68 low molecular weight VOCs were identified in KXS by HS-GC/IMS at room temperature and atmospheric pressure; 117 VOCs were identified and 10 components (isocalamenediol, α-asarone, β-asarone, methyl eugenol, isoeugenol methyl ether, camphor, anethol, 2,4-di-tert-butylphol, linalool, asarylaldehyde) as the quality markers of KXS based on HS-GC/MS. Conclusions:This results from this study provide a foundation for quality control, pharmacodynamic mechanism research and further development of KXS, and provides more convincing data supporting the VOCs of other natural products. | INTRODUCTIONKaixin San (KXS) is originated from "Thousand-Golden-Prescriptions", which is composed of Acorus tatarinoxjuii Schott (ATS), Polygala tenuifolia Willd (PTW), Panax ginseng (PG) and Poria cocos (PC) in the ratio 1:1:1:2. ATS is the dry rhizome of Acorus calamus, which contains a volatile oil, organic acids, terpenoids, and flavonoids. The most important active ingredient is the volatile oil. 1 PTW is the dried root of the Polygalaaceae plant, which exhibits sedative, hypnotic, anti-aging, and anti-depressive effects. 2 PG is the dry root and rhizome of the Araliaceae plant ginseng, which is mainly distributed in the northeast of China. 3 PC is the dried sclerotia of Poria cocos fungus Poria cocos, which has the effects of diluting water and dampness, strengthening the spleen and calming the heart. 4 KXS has the functions of replenishing qi, nourishing the heart and calming the mind; it is mainly used for symptoms such as lack of energy,

Antidepressant Mechanism of Kaixinsan and Its Active Compounds Based on Upregulation of Antioxidant Thioredoxin

“…Firstly, the active compounds of the KXS formula are large in number, which might greatly increase the multitarget effect and reduce the possibility of side effects and drug resistance. KXS takes flavonoids, saponins, oligosaccharides, polysaccharides, and volatile oil as the main active compounds [ 21 ], and its antidepressant pharmacology and compound studies have made certain progress [ 22 , 23 ]. By network pharmacology analysis, kaempferol and ginsenoside rh2 were recognized as key compounds of KXS.…”

Analytical methods for the analysis of volatile natural products

“…HS-GC-MS and HS-GC-ion mobility spectrometry have been used in the comprehensive characterization of VOCs in Kaixin San and the quantitative analysis of the main pharmacodynamic substances. 163 A total of 117 VOCs were identified and 10 components (isocalamenediol, a-asarone, β-asarone, methyl eugenol, isoeugenol methyl ether, camphor, anethol, 2,4-di- tert -butylphol, linalool, asarylaldehyde) were suggested as the quality markers.…”

Characterization of Flavor Profiles of Cigar Tobacco Leaves Grown in China via Headspace–Gas Chromatography–Ion Mobility Spectrometry Coupled with Multivariate Analysis and Sensory Evaluation

“…Gas chromatography–ion mobility spectrometry (GC–IMS) is a detection technology that combines the high separation ability of GC and the rapid response of IMS. , The technique boasts high sensitivity and accuracy, detects samples with low concentrations, does not require sample pretreatment, and retains the original flavor of the sample to the maximum extent. It is a new method to characterize the flavor or detect VFCs in agricultural products to identify different regions from which they originate. , The difference in the Molixiang table grapes grown in different geographical regions of China was distinguished accurately by a combination of GC–IMS and principal component analysis (PCA) . GC–IMS and statistical methods were used to identify fu brick tea, white tea, and oolong tea from different regions.…”

“…It is a new method to characterize the flavor or detect VFCs in agricultural products to identify different regions from which they originate. 17 , 18 The difference in the Molixiang table grapes grown in different geographical regions of China was distinguished accurately by a combination of GC–IMS and principal component analysis (PCA). 19 GC–IMS and statistical methods were used to identify fu brick tea, 20 white tea, and oolong tea 21 from different regions.…”