• Title/Summary/Keyword: untargeted analysis

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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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    • v.37 no.5
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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.

Evaluation of Recent Data Processing Strategies on Q-TOF LC/MS Based Untargeted Metabolomics

  • Kaplan, Ozan;Celebier, Mustafa
    • Mass Spectrometry Letters
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    • v.11 no.1
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    • pp.1-5
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    • 2020
  • In this study, some of the recently reported data processing strategies were evaluated and modified based on their capabilities and a brief workflow for data mining was redefined for Q-TOF LC-MS based untargeted metabolomics. Commercial pooled human plasma samples were used for this purpose. An ultrafiltration procedure was applied on sample preparation. Sample set was analyzed through Q-TOF LC/MS. A C18 column (Agilent Zorbax 1.8 µM, 50 × 2.1 mm) was used for chromatographic separation. Raw chromatograms were processed using XCMS - R programming language edition and Isotopologue Parameter Optimization (IPO) was used to optimize XCMS parameters. The raw XCMS table was processed using MS Excel to find reliable and reproducible peaks. Totally 1650 reliable and reproducible potential metabolite peaks were found based on the data processing procedures given in this paper. The redefined dataset was upload into MetaboAnalyst platform and the identified metabolites were matched with 86 metabolic pathways. Thus, two list were obtained and presented in this study as supplement files. The first list is to present the retention times and m/z values of detected metabolite peaks. The second list is the metabolic pathways related with the identified metabolites. The briefly described data processing strategies and dataset presented in this study could be beneficial for the researchers working on untargeted metabolomics for processing their data and validating their results.

Major Metabolites Involved in Skin Blackening of 'Niitaka' Pear Stored under Cold Temperature (신고 배 저온 저장 중 발생하는 과피 흑변에 관여하는 주요 대사체)

  • Lee, Eun Jin
    • Horticultural Science & Technology
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    • v.32 no.3
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    • pp.359-365
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    • 2014
  • Oriental pear (Pyrus communis L. cv 'Niitaka') was stored at $0^{\circ}C$ for 5 months and major metabolites involved in blackening of the peel were analyzed by untargeted GC-MS and targeted HPLC methods. In this study, peels of sound and skin-blackened pears were analyzed and compared. Skin-blackened fruit was clearly characterized by a distinctive pattern in changes which included a decrease of malic acid, succinic acid, and ascorbic acid, while an increase of fumaric acid, threonine, and gluconic acid, which indicated both reduced metabolic activity and anti-oxidative capacity of the cells. Chlorogenic acid was a major phenolic compound and the peel of sound fruit showed high levels of free phenolic compounds compared than the peel of skin-blackened fruit which are believed to be related to oxidation of phenolics in skin-blackened tissue. The changes or profiling of major metabolites by targeted or untargeted analysis method could become a useful tool for understanding physiology, disorder mechanism, and identifying metabolic networks connecting primary and secondary metabolism in postharvest research.

Mass Spectrometry for Metabolome Analysis

  • Wang, Xiaohang;Li, Liang
    • Mass Spectrometry Letters
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    • v.11 no.2
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    • pp.17-24
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    • 2020
  • Metabolomics has become an important research field with many areas of applications ranging from disease biomarker discovery to global biology systems study. A key step in metabolomics is to perform metabolome analysis to obtain quantitative information on metabolic changes among comparative samples. Mass spectrometry (MS) is widely used for highly sensitive detection of many different types of metabolites. In this review, we highlight some of the more commonly used MS techniques for metabolome analysis.

Alteration of the Metabolome Profile in Endothelial Cells by Overexpression of miR-143/145

  • Wang, Wenshuo;Yang, Ye;Wang, Yiqing;Pang, Liewen;Huang, Jiechun;Tao, Hongyue;Sun, Xiaotian;Liu, Chen
    • Journal of Microbiology and Biotechnology
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    • v.26 no.3
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    • pp.572-578
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    • 2016
  • Communication between endothelial cells (ECs) and smooth muscle cells (SMCs) via miR-143/145 clusters is vital to vascular stability. Previous research demonstrates that miR-143/145 released from ECs can regulate SMC proliferation and migration. In addition, a recent study has found that SMCs also have the capability of manipulating EC function via miR-143/145. In the present study, we artificially increased the expression of miR-143/145 in ECs, to mimic a similar change caused by miR-143/145 released by SMCs, and applied untargeted metabolomics analysis, aimed at investigating the consequential effect of miR-143/145 overexpression. Our results showed that miR-143/145 overexpression alters the levels of metabolites involved in energy production, DNA methylation, and oxidative stress. These changed metabolites indicate that metabolic pathways, such as the SAM cycle and TCA cycle, exhibit significant differences from the norm with miR-143/145 overexpression.

LC-MS/MS-Based Comparative Investigation on Chemical Constituents of Six Aster Species Occurring in Korea

  • Kang, Kyo Bin;Lee, Dong Young;Sung, Sang Hyun
    • Natural Product Sciences
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    • v.27 no.4
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    • pp.257-263
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    • 2021
  • Aster species (Asteraceae) are widely distributed edible and medicinal plants, known to contain various specialized metabolites including polyphenols and saponins. However, systemic analysis on the chemical profiles of these plants have rarely been made. Here we analyzed the phytochemical constituents in leaves of 6 Aster species occurring in Korea, A. ageratoides, A. altaicus var. uchiyamae, A. glehnii, A. hispidus, A. incisus, and A. yomena, by applying a LC-MS/MS-based untargeted metabolomics approach. The analysis revealed that A. ageratoides, A. hispidus, and A. yomena are relatively rich in saponins most of which are expected to be previously unknown.

An Analysis of Information Security Management Strategies in the Presence of Interdependent Security Risk

  • Shim, Woo-Hyun
    • Asia pacific journal of information systems
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    • v.22 no.1
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    • pp.79-101
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    • 2012
  • This study expands the current body of research by exploring multiple scenarios of insufficient and excessive IT security investments caused by interdependent risks and the interplay between IT security investments and cyber insurance. A key finding is that organizations experiencing interdependent risks with different types of cyber attacks (i.e., targeted and untargeted attacks) use different strategies in making IT security investment decisions and in purchasing cyber insurance policies for their information security risk management than firms that are facing independent risks. The study further provides an economic rationale for employing insurance mechanisms as a risk management solution for information security.

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Comparative untargeted metabolomic analysis of Korean soybean four varieties (Glycine max (L.) Merr.) based on liquid chromatography mass spectrometry (국내콩 4품종의 LC-MS 기반 비표적대사체 비교평가)

  • Eun-Ha Kim;Soo-Yun Park;Sang-Gu Lee;Hyoun-Min Park;Oh Suk Yu;Yun-Young Kang;Myeong Ji Kim;Jung-Won Jung;Seon-Woo Oh
    • Journal of Applied Biological Chemistry
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    • v.65 no.4
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    • pp.439-446
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    • 2022
  • Soybean is a crop with high-quality of protein and oil, and it is one of the most widely used genetically modified (GM) crops in the world today. In South Korea, Kwangan is the most utilized variety as a parental line for GM soybean development. In this study, untargeted LC-MS metabolomic approaches were used to compare metabolite profiles of Kwangan and three other commercial varieties cultivated in Gunwi and Jeonju in 2020 year. Metabolomic studies revealed that the 4 soybean varieties were distinct based on the partial least squares-discriminant analysis (PLS-DA) score plots; 18 metabolites contributed to variety distinction, including phenylalanine, isoflavones, and fatty acids. All varieties were clearly differentiated by location on the PLS-DA score plot, indicating that the growing environment is also attributable to metabolite variability. In particular, isoflavones and linolenic acid levels in Kwangan were significantly lower and higher, respectively compared to those of the three varieties. It was discussed that it might need to include more diverse conventional varieties as comparators in regard to metabolic characteristics of Kwangan for the assessment of substantial equivalence biogenetically engineered soybeans in a Kwangan-variety background.

Transcriptomic Analysis of Rat Brain Tissue Following Gamma Knife Surgery: Early and Distinct Bilateral Effects in the Un-Irradiated Striatum

  • Hirano, Misato;Shibato, Junko;Rakwal, Randeep;Kouyama, Nobuo;Katayama, Yoko;Hayashi, Motohiro;Masuo, Yoshinori
    • Molecules and Cells
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    • v.27 no.2
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    • pp.263-268
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    • 2009
  • Gamma knife surgery (GKS) is used for the treatment of various human brain disorders. However, the biological effects of gamma ray irradiation on both the target area, and the surrounding tissues are not well studied. The effects of gamma ray exposure to both targeted and untargeted regions were therefore evaluated by monitoring gene expression changes in the unilateral irradiated (60 Gy) and contralateral un-irradiated striata in the rat. Striata of irradiated and control brains were dissected 16 hours post-irradiation for analysis using a whole genome 44K DNA oligo microarray approach. The results revealed 230 induced and 144 repressed genes in the irradiated striatum and 432 induced and 239 repressed genes in the unirradiated striatum. Out of these altered genes 39 of the induced and 16 of the reduced genes were common to both irradiated and un-irradiated tissue. Results of semiquantitative, confirmatory RT-PCR and western blot analyses suggested that ${\gamma}$-irradiation caused cellular damage, including oxidative stress, in the striata of both hemispheres of the brains of treated animals.