• 제목/요약/키워드: OPLS-DA

검색결과 26건 처리시간 0.021초

Identification of mountain-cultivated ginseng and cultivated ginseng using UPLC/oa-TOF MSE with a multivariate statistical sample-profiling strategy

  • Xu, Xin-fang;Cheng, Xian-long;Lin, Qing-hua;Li, Sha-sha;Jia, Zhe;Han, Ting;Lin, Rui-chao;Wang, Dan;Wei, Feng;Li, Xiang-ri
    • Journal of Ginseng Research
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    • 제40권4호
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    • pp.344-350
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    • 2016
  • Background: Mountain-cultivated ginseng (MCG) and cultivated ginseng (CG) both belong to Panax ginseng and have similar ingredients. However, their pharmacological activities are different due to their significantly different growth environments. Methods: An ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry (UPLC-QTOF-MS/MS)-based approach was developed to distinguish MCG and CG. Multivariate statistical methods, such as principal component analysis and supervised orthogonal partial-least-squares discrimination analysis were used to select the influential components. Results: Under optimized UPLC-QTOF-MS/MS conditions, 40 ginsenosides in both MCG and CG were unambiguously identified and tentatively assigned. The results showed that the characteristic components of CG and MCG included ginsenoside Ra3/isomer, gypenoside XVII, quinquenoside R1, ginsenoside Ra7, notoginsenoside Fe, ginsenoside Ra2, ginsenoside Rs6/Rs7, malonyl ginsenoside Rc, malonyl ginsenoside Rb1, malonyl ginsenoside Rb2, palmitoleic acid, and ethyl linoleate. The malony ginsenosides are abundant in CG, but higher levels of the minor ginsenosides were detected in MCG. Conclusion: This is the first time that the differences between CG and MCG have been observed systematically at the chemical level. Our results suggested that using the identified characteristic components as chemical markers to identify different ginseng products is effective and viable.

Metabolic classification of herb plants by NMR-based metabolomics

  • Kim, Hee-Eun;Choi, Ye Hun;Choi, Kwang-Ho;Park, Ji Su;Kim, Hyeon Su;Jeon, Jun Hyeok;Heu, Min Soo;Shin, Dong-Seon;Lee, Joon-Hwa
    • 한국자기공명학회논문지
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    • 제16권2호
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    • pp.91-102
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    • 2012
  • Metabolomics is the systematic identification and quantification of all metabolites in an organism or biological sample. NMR has been used as a major application tool in plant metabolomics such as quality control, chemotaxonomy, and analysis of genetically modified plants. Herbal medicines are the important therapeutics and are used to manage common diseases such as cold, inflammation, pain, heart diseases, liver cirrhosis, diabetes and central nerve system diseases. Herb plants include various kinds of species such as geranium, mint, and thyme and so on and contain different kinds of metabolites. We performed NMR-based metabolomics study on the seven different species of herb plants using $^1H$ NMR experiments and OPLS-DA to understand the correlation between the classification of herb plants and their metabolite contents. This study showed clear metabolic discrimination among various herb plants. This metabolmics study found several diagnostic NMR signals which are able to be used as bio-markers for identification of the specific herb plants among various species. Clear metabolic discrimination of herb plants suggests three chemotaxonomic groups of herb species.

Impact of vitamin-A-enhanced transgenic soybeans on above-ground non-target arthropods in Korea

  • Sung-Dug, Oh;Kihun, Ha;Soo-Yun, Park;Seong-Kon, Lee;Do won, Yun;Kijong, Lee;Sang Jae, Suh
    • 농업과학연구
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    • 제48권4호
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    • pp.875-890
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    • 2021
  • In order to confirm the safety of a genetically modified organism (GMO), we assess its potential toxicity on non-target insects and spiders. In this study, the effects of GM soybean, a type of vitamin-A-enhanced transgenic soybean with tolerance to the herbicide glufosinate, were assessed under a field condition. The study compared this vitamin-A-enhanced transgenic soybean and a non-GM soybean (Gwangan) in a living modified organism (LMO) isolated field of Kyungpook National University (Gunwi) and the National Institute Agricultural Sciences (Jeonju) in the Republic of Korea in 2019 - 2020. In total, 207,760 individual insects and arachnids, representing 81 families and 13 orders, were collected during the study. From the two types of soybean fields, corresponding totals of 105,765 and 101,995 individuals from the vitamin-A-enhanced transgenic soybean and Gwangan samples areas were collected. An analysis of variance indicated no significant differences (p < 0.05). A multivariate analysis showed that the dominance and richness outcomes of plant-dwelling insects were similar. The data on insect species population densities were subjected to a principal component analysis (PCA) and an orthogonal partial least squares-discriminant analysis (OPLS-DA), which did not distinguish between the two varieties, i.e., the vitamin-A-enhanced transgenic soybean and the non-GM soybean in any cultivated field. However, the results of the PCA analysis could be divided overall into four groups based on the yearly survey areas. Therefore, there was no evidence for the different impact of vitamin A-enhanced transgenic soybean on the above-ground insects and spiders compared to non-GM soybean.

Untargeted metabolomics using liquid chromatography-high resolution mass spectrometry and chemometrics for analysis of non-halal meats adulteration in beef meat

  • Anjar Windarsih;Nor Kartini Abu Bakar;Abdul Rohman;Nancy Dewi Yuliana;Dachriyanus Dachriyanus
    • Animal Bioscience
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    • 제37권5호
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    • pp.918-928
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    • 2024
  • Objective: The adulteration of raw beef (BMr) with dog meat (DMr) and pork (PMr) becomes a serious problem because it is associated with halal status, quality, and safety of meats. This research aimed to develop an effective authentication method to detect non-halal meats (dog meat and pork) in beef using metabolomics approach. Methods: Liquid chromatography-high resolution mass spectrometry (LC-HRMS) using untargeted approach combined with chemometrics was applied for analysis non-halal meats in BMr. Results: The untargeted metabolomics approach successfully identified various metabolites in BMr DMr, PMr, and their mixtures. The discrimination and classification between authentic BMr and those adulterated with DMr and PMr were successfully determined using partial least square-discriminant analysis (PLS-DA) with high accuracy. All BMr samples containing non-halal meats could be differentiated from authentic BMr. A number of discriminating metabolites with potential as biomarkers to discriminate BMr in the mixtures with DMr and PMr could be identified from the analysis of variable importance for projection value. Partial least square (PLS) and orthogonal PLS (OPLS) regression using discriminating metabolites showed high accuracy (R2 >0.990) and high precision (both RMSEC and RMSEE <5%) in predicting the concentration of DMr and PMr present in beef indicating that the discriminating metabolites were good predictors. The developed untargeted LC-HRMS metabolomics and chemometrics successfully identified non-halal meats adulteration (DMr and PMr) in beef with high sensitivity up to 0.1% (w/w). Conclusion: A combination of LC-HRMS untargeted metabolomic and chemometrics promises to be an effective analytical technique for halal authenticity testing of meats. This method could be further standardized and proposed as a method for halal authentication of meats.

Comparative metabolomic analysis in horses and functional analysis of branched chain (alpha) keto acid dehydrogenase complex in equine myoblasts under exercise stress

  • Jeong-Woong, Park;Kyoung Hwan, Kim;Sujung, Kim;Jae-rung, So;Byung-Wook, Cho;Ki-Duk, Song
    • Journal of Animal Science and Technology
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    • 제64권4호
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    • pp.800-811
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    • 2022
  • The integration of metabolomics and transcriptomics may elucidate the correlation between the genotypic and phenotypic patterns in organisms. In equine physiology, various metabolite levels vary during exercise, which may be correlated with a modified gene expression pattern of related genes. Integrated metabolomic and transcriptomic studies in horses have not been conducted to date. The objective of this study was to detect the effect of moderate exercise on the metabolomic and transcriptomic levels in horses. In this study, using nuclear magnetic resonance (NMR) spectroscopy, we analyzed the concentrations of metabolites in muscle and plasma; we also determined the gene expression patterns of branched chain (alpha) keto acid dehydrogenase kinase complex (BCKDK), which encodes the key regulatory enzymes in branched-chain amino acid (BCAA) catabolism, in two breeds of horses, Thoroughbred and Jeju, at different time intervals. The concentrations of metabolites in muscle and plasma were measured by 1H NMR (nuclear magnetic resonance) spectroscopy, and the relative metabolite levels before and after exercise in the two samples were compared. Subsequently, multivariate data analysis based on the metabolic profiles was performed using orthogonal partial least square discriminant analysis (OPLS-DA), and variable important plots and t-test were used for basic statistical analysis. The stress-induced expression patterns of BCKDK genes in horse muscle-derived cells were examined using quantitative reverse transcription polymerase chain reaction (qPCR) to gain insight into the role of transcript in response to exercise stress. In this study, we found higher concentrations of aspartate, leucine, isoleucine, and lysine in the skeletal muscle of Jeju horses than in Thoroughbred horses. In plasma, compared with Jeju horses, Thoroughbred horses had higher levels of alanine and methionine before exercise; whereas post-exercise, lysine levels were increased. Gene expression analysis revealed a decreased expression level of BCKDK in the post-exercise period in Thoroughbred horses.

오미자(Schisandra chinensis)의 국내 산지별 화학적마커 선정을 위한 LC/MS 기반의 대사체학 접근법 (LC/MS-based metabolomics approach for selection of chemical markers by domestic production region of Schisandra chinensis)

  • 김인선;오선민;송하은;김두영;윤다혜;이대영;류형원
    • Journal of Applied Biological Chemistry
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    • 제66권
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    • pp.467-476
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    • 2023
  • 오미자(Schisandra chinensis)는 오미자과에 속하는 낙엽활엽덩굴식물로 한국, 일본, 중국, 대만 등 동아시아에 널리 분포한다. 오미자에 함유된 주요 성분에는 리그난 화합물뿐만 아니라 트리테르페노이드 화합물도 포함되어 있는 것으로 보고되었다. 한국 산지별 오미자의 특성을 구별하기 위해 대사산물 프로파일링과 다변량 통계 분석 기법인 PCA을 수행하여 판별식을 설정하였고, 그 결과 triterpenoids 16종, lignan 9종, flavonoid, phenylpropanoid, fatty acid 각 1종을 동정하였다. 또한 다변량 통계분석을 통해 OPLS-DA의 s-plot 모델을 적용하여 단양, 문경, 거창, 평창의 4개 그룹을 구분하는 것을 확인하였고, lanostane, cycloartane, 그리고 schiartane triterpenoid, dibenzocyclooctadiene lignan 이 각각 화학적마커로 동정하였다.