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Wan J.-B.,University of Macau | Bai X.,Waters Technologies Ltd. Shanghai | Cai X.-J.,University of Macau | Rao Y.,Jiangxi University of Traditional Chinese Medicine | And 2 more authors.
Journal of Pharmaceutical and Biomedical Analysis | Year: 2013

In order to evaluate chemical consistency between traditional and modern decoctions of Da-Cheng-Qi-Tang (DCQT), a classical Chinese medicine formula commonly used in the treatment of digestive diseases, an ultra performance liquid chromatography-electrospray ionization-quadrupole time-of-flight mass spectrometry (UPLC-ESI-Q-TOFMS) combined with multivariate statistical analysis was established to globally characterize the chemical profile and discover differentiating chemical markers. Two kinds of decoctions, namely traditional decoction (multi-step decoction of constituent herbs), and modern decoction (one-step decoction of all herbs), were prepared and subjected to UPLC-MS analysis, the datasets of tR-m/z pairs, ion intensities and sample codes were processed with supervised orthogonal partial least squared discriminant analysis (OPLS-DA) to comprehensively compare the chemical difference between these two kinds of decoction samples. The global chemical difference was found between traditional and modern decoctions, and rhein, sennoside A/B, diosmetin, magnoloside B and naringin were the components contributing most to these differences. Based on the fact that traditional decoction of DCQT presents the higher concentration of rhein and sennoside A/B, mainly contributed to laxative activity of DCQT, the purgative effect of traditional decoction might be more potent, compared with modern decoction. However, the comparative study on purgative effect of traditional and modern DCQT remains to be further investigated using pharmacological approaches. Our findings also provide the early scientific evidence of traditional decoction method of DCQT. © 2013 Elsevier B.V. Source

Zhang H.-M.,Shanghai University of Traditional Chinese Medicine | Li S.-L.,Jiangsu Province Academy of Chinese Medicine | Zhang H.,Shanghai University of Traditional Chinese Medicine | Wang Y.,Waters Technologies Ltd. Shanghai | And 3 more authors.
Journal of Pharmaceutical and Biomedical Analysis | Year: 2012

In traditional Chinese medicine practice, white ginseng (WG) and red ginseng (RG) have traditionally been used for different purposes. In the present study, an ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS/MS)-based metabolomics approach was developed to evaluate the holistic qualities and to explore characteristic chemical components of commercial WG and RG. Through unsupervised principal component analysis (PCA) and supervised orthogonal partial least squared discrimination analysis (OPLS-DA) of the data from UPLC-QTOF-MS/MS, holistic quality inconsistencies of commercial WG and RG were identified, and the possible reasons involved were deduced by further elucidating the characteristic components of the groups. Heat treating and sulfur-fumigation were likely the main reasons for the quality differences in WG, and non-standardized processing procedures might have caused the inconsistent quality of RG. Together with ginsenoside Rg3, a nitrogen-containing component and ginsenoside 20(R)-Rh1 were detected as characteristic components of RG, whereas malonyl ginsenoside Rb1/isomer and malonyl ginsenoside Rg1/isomer were found to be characteristic components of WG. It was suggested that post-harvest handling procedures for WG and processing procedures for RG should be standardized using the identified characteristic components as chemical markers to ensure the consistent quality and consequently the efficacy of WG and RG. © 2012 Elsevier B.V. Source

Liu F.,University of Macau | Bai X.,Waters Technologies Ltd. Shanghai | Ding R.-B.,University of Macau | Hu Y.-J.,University of Macau | And 2 more authors.
American Journal of Chinese Medicine | Year: 2015

Consistent, excessive alcohol consumption leads to liver injury. The aim of the present study is to evaluate the possible efficacy of Panax notoginseng saponins (PNS) against chronic alcohol-induced liver injury using LC-MS-based urinary metabolomics. Mice were fed a Lieber-DeCarli liquid diet containing alcohol or isocaloric maltose dextrin as a control diet with or without PNS (200 mg/kg/BW) for 4 weeks. Treatment with PNS significantly reduced the increases in plasma ALT and AST levels, hepatic levels of reactive oxygen species (ROS) and malondialdehyde (MDA), which induced by chronic alcohol exposure. Conversely, PNS was also found to restore the glutathione (GSH) depletion and increase the superoxide dismutase (SOD) activities. The end-point urine sample of each mouse was collected overnight (24 h) in metabolic cages and their metabolic profiling changes were analyzed using UPLC/Q-TOFMS followed by multivariate statistical analysis. After 4 week of Lieber-DeCarli alcohol diet feeding, the metabolic profile experienced great perturbation in PCA score plot, and the treatment of PNS could assist to regulate the disturbed metabolic profile induced by alcohol exposure. Additionally, sixteen potential biomarkers responsible for derivations of the metabolic profile induced by alcohol exposure were identified, and the alcohol-induced changes in these biomarkers, except hexanoylglycine, could be partially or nearly reversed by PNS treatment. Taken together, PNS protects against chronic alcohol-induced liver injury. Our findings demonstrated that the LC-MS-based metabolomics approach is a useful tool to investigate the efficacy of Chinese medicines. © 2015 World Scientific Publishing Company & Institute for Advanced Research in Asian Science and Medicine. Source

Zhao Y.-Y.,Northwest University, China | Lei P.,Shaanxi Microbiology Research Institute | Chen D.-Q.,Northwest University, China | Feng Y.-L.,Northwest University, China | Bai X.,Waters Technologies Ltd. Shanghai
Journal of Pharmaceutical and Biomedical Analysis | Year: 2013

Poria cocos epidermis is one of ancient traditional Chinese medicines (TCMs), which is usually used for the treatment of chronic kidney disease (CKD) for thousands of years in China. A metabonomic approach based on ultra performance liquid chromatography coupled with quadrupole time-of-flight high-sensitivity mass spectrometry (UPLC Q-TOF/HSMS) and a mass spectrometryElevated Energy (MSE) data collection technique was developed to obtained a systematic view of the development and progression of CKD and biochemistry mechanism of therapeutic effects of P. cocos epidermis (Fu-Ling-Pi, FLP). By partial least squares-discriminate analysis, 19 metabolites were identified as potential biomarkers of CKD. Among the 19 biomarkers, 10 biomarkers including eicosapentaenoic acid, docosahexaenoic acid, lysoPC(20:4), lysoPC(18:2), lysoPC(15:0), lysoPE(20:0/0:0), indoxyl sulfate, hippuric acid, p-cresol sulfate and allantoin were reversed to the control level in FLP-treated groups. The study indicates that FLP treatment can ameliorate CKD by intervening in some dominating metabolic pathways, such as fatty acid metabolism, phospholipid metabolism, purine metabolism and tryptophan metabolism. This work was for the first time to investigate the FLP therapeutic effect based on metabonomics technology, which is a potentially powerful tool to study the TCMs. © 2013 Elsevier B.V. Source

Zhao Y.-Y.,Northwest University, China | Shen X.,PLA Fourth Military Medical University | Cheng X.-L.,National Institutes for Food and Drug Control | Wei F.,National Institutes for Food and Drug Control | And 2 more authors.
Process Biochemistry | Year: 2012

Ergosta-4,6,8(14),22-tetraen-3-one (ergone), isolated from the medicinal fungus Polyporus umbellatus, has been proven to prevent the progression of renal injury and the subsequent renal fibrosis. UPLC Q-TOF/MS was employed to investigate the metabonomic characteristics of adenine-induced chronic renal failure (CRF) and the proactive effects of ergone. The significant difference of the metabolic profiling was observed from ergone-treated group compared with the CRF model group during the 10-day and 20-day study periods by using the principal components analysis (PCA). The significant difference of the ergone-treated group in metabolic profiling was also observed between 10-day and 20-day study periods. The time-dependent tendency in ergone-treated group from day 10 to 20 was obtained, indicating the time-dependent recovery effect of ergone on CRF rats. Some significantly changed metabolites like creatinine, proline, adrenosterone, taurine, creatine, phenylalanine, ornithine, dopamine, kynurenine, kynurenic acid and 3-O-methyldopa have been identified during the 20-day study period. These biochemical changes are related to the disturbance in energy metabolism and amino acid metabolism, which are helpful to further understand the CRF and the therapeutic mechanism of ergone. This work suggests that this metabonomic approach could be used as a potentially powerful tool to investigate the biochemical changes of certain physiopathological conditions, such as metabolic syndrome, as an early diagnostic measure. © 2012 Elsevier Ltd. Source

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