• Mass Spectrometry Letters
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• v.4 no.4
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• pp.59-66
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• 2013

A metabolomics study was conducted to identify urinary biomarkers for breast cancer, using gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS), analyzed by principal components analysis (PCA) as well as a partial least squares-discriminant analysis (PLS-DA) for a metabolic pattern analysis. To find potential biomarkers, urine samples were collected from before- and after-mastectomy of breast cancer patients and healthy controls. Androgens, corticoids, estrogens, nucleosides, and polyols were quantitatively measured and urinary metabolic profiles were constructed through PCA and PLS-DA. The possible biomarkers were discriminated from quantified targeted metabolites with a metabolic pattern analysis and subsequent screening. We identified two biomarkers for breast cancer in urine, ${\beta}$-cortol and 5-methyl-2-deoxycytidine, which were categorized at significant levels in a student t-test (p-value < 0.05). The concentrations of these metabolites in breast cancer patients significantly increased relative to those of controls and patients after mastectomy. Biomarkers identified in this study were highly related to metabolites causing oxidative DNA damage in the endogenous metabolism. These biomarkers are not only useful for diagnostics and patient stratification but can be mapped on a biochemical chart to identify the corresponding enzyme for target identification via metabolomics.

• Journal of Pharmaceutical Investigation
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• v.38 no.1
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• pp.23-29
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• 2008

Red ginseng is made of white ginseng through the steaming and drying procedure. In this process, the amounts of toxic elements of ginseng are decreased and those of effective components, ginsenosides are increased. In order to identify the components alteration of white ginseng by processing time, we applied HPLC-based metabolomics approach combined with the principal component analysis (PCA) multivariate analysis. White ginsengs were steamed at 0, 1, 2, 4, 8 and 16 h, respectively and followed by drying process at moderate temperature. Then the steamed ginsengs and the commercial red ginsengs were analyzed by HPLC. On the basis of HPLC results, PCA multivariate analysis was applied for evaluating the quality of red ginseng, which showed the processed ginsengs are grouped by processed time because less polar ginsenosides were increased in proportion as the steaming time was increased. The purchased red ginsengs were distributed in the range of $0{\sim}1$ hour steaming time. This pilot experiment suggests that HPLC-based metabolomics approach is able to allow the quality of herbal medicines to be controlled with a simple and economic method.

• Journal of Animal Science and Technology
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• v.62 no.3
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• pp.321-333
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• 2020

Beef quality is influenced by the fattening period. Therefore, meat metabolomics profiles from the different fattening periods (e.g., short-term vs. long-term) were analyzed for identify potential indicators using nuclear magnetic resonance. Additionally, blood, free fatty acid, sensory, and mineral compositions in Korean steers were determined. Blood, free fatty acid, and mineral concentrations showed significant differences between short-term and long-term groups that were fed different diets. However, there were no sensory differences in the two fattening groups. Additionally, the metabolic profiles of meats were clearly separated based on multivariate orthogonal partial least square discriminant analysis. Six metabolites of variable importance in the projection plot were identified and showed high sensitivity as candidate markers for meat characteristics. In particular, lactate, carnosine, and creatine could be directly linked to scientific indicators of the fattening stage (31 vs. 28 mo) of meat. Our findings suggest that the metabolomics approach could be a powerful method for the detection of novel signatures underlying the managing period of beef.

• Journal of Rheumatic Diseases
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• v.24 no.4
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• pp.192-202
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• 2017

Objective. Rebampide is a gastroprotective agent used to treat gastritis. It possesses anti-inflammatory and anti-arthritis effects, but the mechanisms of these effects are not well understood. The objective of this study was to explore mechanisms underlying the therapeutic effects of rebamipide in inflammatory arthritis. Methods. Collagen-induced arthritis (CIA) was induced in DBA/1J mice. DBA/1J mice were immunized with chicken type II collagen, then treated intraperitoneally with rebamipide (10 mg/kg or 30 mg/kg) or vehicle (10% carboxymethylcellulose solution) alone. Seven weeks later, plasma samples were collected. Plasma metabolic profiles were analyzed using ultra performance liquid chromatography/quadrupole time-of-flight mass spectrometry-based metabolomics study and metabolite biomarkers were identified through multivariate data analysis. Results. Low dose rebamipide treatment reduced the clinical arthritis score compared with vehicle treatment, whereas high dose rebamipide in CIA aggravated arthritis severity. Based on multivariate analysis, 17 metabolites were identified. The plasma levels of metabolites associated with fatty acids and phospholipid metabolism were significantly lower with rebamipide treatment than with vehicle. The levels of $15-deoxy-^{{\Delta}12,14}$ prostaglandin J2 and thromboxane B3 decreased only in high dose-treated groups. Certain peptide molecules, including enterostatin (VPDPR) enterostatin and bradykinin dramatically increased in rebamipide-treated groups at both doses. Additionally, corticosterone increased in the low dose-treated group and decreased in the high dose-treated group. Conclusion. Metabolomics analysis revealed the anti-inflammatory effects of rebamipide and suggested the potential of the drug repositioning in metabolism- and lipid-associated diseases.

• Animal Bioscience
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• v.36 no.2
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• pp.229-237
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• 2023

Objective: This study evaluated the effects of dandelion supplements on lactation performance, circulating antioxidative activity and plasma metabolomics in primiparous dairy cows. Methods: A total of 60 mid-lactation dairy cows (milk yield = 34.29±0.34 kg/d; days in milk = 151.72±2.36 days) were divided into 4 treatment groups randomly, comprising the addition of dandelion at 0, 100, 200, 400 g/d per head. The experiment lasted for 8 weeks with an extra 10 days' pre-feeding period. Milk and blood samples were collected, and plasma samples were selected to perform metabolomics analysis. Results: Supplementing 200 g/d of dandelion increased the yield of milk and lactose (p≤0.05). The milk somatic cell counts (p≤0.05) were lower in all dandelion groups than those in the control group. The activity of glutathione peroxidase (p≤0.05) and superoxide dismutase (p≤0.05) were increased and plasma malondialdehyde (p = 0.01) was decreased when cows were fed 200 g/d dandelion. Plasma metabolomics analysis showed that 23 hub differential metabolites were identified in the 200 g/d dandelion group. These metabolites such as ribose, glutamic acid, valine, and phenylalanine were enriched in D-glutamine and D-glutamate metabolism (p = 0.06, impact value = 1), phenylalanine, tyrosine, and tryptophan biosynthesis (p = 0.05, impact value = 0.5), and starch and sucrose metabolism (p = 0.21, impact value = 0.13). Moreover, correlation analysis showed that circulating ribose, mannose, and glutamic acid were positively related to milk yield. Conclusion: Dandelion supplementation could improve lactation performance and elevate the plasma carbohydrate and amino acids metabolism and antioxidative activity. Supplementation of 200 g/d dandelion is recommended for lactating dairy cows.

• Proceedings of the Plant Resources Society of Korea Conference
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• 2023.04a
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• pp.16-16
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• 2023

Metabolomics is the study of global metabolite profiles in a system (cell, tissue, or organism) under a given set of conditions. Metabolomics has its roots in early metabolite profiling studies but is now a rapidly expanding area of scientific research in its own right. In this study, the applications of metabolomics in natural product studies are explored. Ginseng is a well-known herbal medicine and has various pharmacological effects, which include antiaging, anticancer, antifatigue, memory enhancing, immunomodulatory, and stress reducing effects. Metabolomic analysis of organic acids has not been performed for evaluation whether ginseng has been cultivated using conventional or environmental-friendly farming methods. In this study, profiling analysis was conducted for organic acids (OAs) in ginseng roots produced using conventional or environmentfriendly farming methods at five locations in each of five regions. In OA profiles, lactic acid was the most abundant OA in all regions, with the exception for environmentally friendly farmed ginseng in two of the five regions, in which glycolic acid was most abundant OA. OA profiles in all regions showed isocitric acid levels were increased by environment-friendly cultivation, which suggests metabolic differences associated from farming method, and that isocitric acid might be a useful discriminatory biomarker of environmental-friendly and conventional cultivation. The results of the present study suggest metabolomic studies of OAs in ginseng roots might be useful for monitoring whether ginseng has been cultivated using conventional or environmentally friendly farming methods.

• Journal of Ginseng Research
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• v.37 no.3
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• pp.341-348
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• 2013

Identification of the origins of Panax ginseng has been issued in Korea scientifically and economically. We describe a metabolomics approach used for discrimination and prediction of ginseng roots from different origins in Korea. The fresh ginseng roots from six ginseng cooperative associations (Gangwon, Gaeseong, Punggi, Chungbuk, Jeonbuk, and Anseong) were analyzed by UPLC-MS-based approach combined with orthogonal projections to latent structure-discriminant analysis multivariate analysis. The ginsengs from Gangwon and Gaeseong were easily differentiated. We further analyzed the metabolomics results in subgroups. Punggi, Chungbuk, Jeonbuk, and Anseong ginseng could be easily differentiated by the first two orthogonal components. As a validation of the discrimination model, we performed blind prediction tests of sample origins using an external test set. Our model predicted their geographical origins as 99.7% probability. The robust discriminatory power and statistical validity of our method suggest its general applicability for determining the origins of P. ginseng samples.

• Asian Pacific Journal of Cancer Prevention
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• v.15 no.13
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• pp.5417-5421
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• 2014

Objectives: The identification of cutaneous T cell lymphoma (CTCL) biomarkers may serve as a predictor of disease progression and treatment response. The aim of this study was to map potential biomarkers in CTCL plasma. Design and Methods: Plasma metabolic perturbations between CTCL cases and healthy individuals were investigated using metabolomics and ultrahigh performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UHPLC-QTOF/MS). Results: Principal component analysis (PCA) of the spectra showed clear metabolic changes between the two groups. Thirty six potential biomarkers associated with CTCL were found. Conclusions: Based on PCA, several biomarkers were determined and further identified by LC/MS/MS analysis. All of these could be potential early markers of CTCL. In addition, we established that heparin as a nticoagulant has better pre-treatment results than EDTA with the UHPLC-QTOF/MS appraoch.

• Journal of Microbiology and Biotechnology
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• v.19 no.1
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• pp.51-54
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• 2009

Myxobacteria, Gram-negative soil bacteria, are a well-known producer of bioactive secondary metabolites. Therefore, this study presents a methodological approach for the high-throughput screening of secondary metabolites from 4 wild-type Myxococcus xanthus strains. First, electrospray ionization mass spectrometry (ESI-MS) was performed using extracellular crude extracts. As a result, 22 metabolite peaks were detected, and the metabolite profiling was then conducted using the m/z value, retention time, and MS/MS fragmentation pattern analyses. Among the peaks, one unknown compound peak was identified as analogous to the myxalamid A, B, and C series. An analysis of the tandem mass spectrometric fragmentation patterns and HR-MS identified myxalamid K as a new compound derived from M. xanthus. In conclusion, LC-MS/MS-based chemical screening of diverse secondary metabolites would appear to be an effective approach for discovering unknown microbial secondary metabolites.

• Journal of Ginseng Research
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• v.38 no.1
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• pp.59-65
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• 2014

Discriminating between two herbal medicines (Panax ginseng and Panax quinquefolius), with similar chemical and physical properties but different therapeutic effects, is a very serious and difficult problem. Differentiation between two processed ginseng genera is even more difficult because the characteristics of their appearance are very similar. An ultraperformance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF MS)-based metabolomic technique was applied for the metabolite profiling of 40 processed P. ginseng and processed P. quinquefolius. Currently known biomarkers such as ginsenoside Rf and F11 have been used for the analysis using the UPLC-photodiode array detector. However, this method was not able to fully discriminate between the two processed ginseng genera. Thus, an optimized UPLC-QTOF-based metabolic profiling method was adapted for the analysis and evaluation of two processed ginseng genera. As a result, all known biomarkers were identified by the proposed metabolomics, and additional potential biomarkers were extracted from the huge amounts of global analysis data. Therefore, it is expected that such metabolomics techniques would be widely applied to the ginseng research field.