• 제목/요약/키워드: 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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    • 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.

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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    • 제11권1호
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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.

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

  • 이은진
    • 원예과학기술지
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    • 제32권3호
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    • pp.359-365
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    • 2014
  • 본 연구는 신고 배 저온 저장 중 발생하는 과피 흑변에 관여하는 주요 대사체를 untargeted GC-MS 그리고 targeted HPLC로 알아보고자 하였다. GC-MS 분석 결과 아미노산, 유기산, 당 관련 총 40개의 대사체를 정성할 수 있었고 건전과는 과피흑변과에 비해서 전반적으로 높은 대사체 함량을 보였다. 특히 serine, malic acid, succinic acid가 건전과에서 높게 나타난 반면 과피 흑변과에서는 threonine, fumaric acid, gluconic acid 함량이 높았다. 개개의 phenolic compounds 분석 결과 건전과에서 높은 phenolic compounds 함량을 보였다. 또한 항산화 능력과 깊은 관련이 있는 ascorbic acid가 과피 흑변과에서 낮게 나타났다. 이상의 결과로 보아 세포 내 비정상적인 호흡 및 에너지 대사과정, 항산화 능력 결여가 신고 배 과피 흑변에 관여하는 주요 대사 과정임을 확인할 수 있었다.

Mass Spectrometry for Metabolome Analysis

  • Wang, Xiaohang;Li, Liang
    • Mass Spectrometry Letters
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    • 제11권2호
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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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    • 제26권3호
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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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    • 제27권4호
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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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    • 제22권1호
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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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국내콩 4품종의 LC-MS 기반 비표적대사체 비교평가 (Comparative untargeted metabolomic analysis of Korean soybean four varieties (Glycine max (L.) Merr.) based on liquid chromatography mass spectrometry)

  • 김은하;박수윤;이상구;박현민;유오숙;강윤녕;김명지;정정원;오선우
    • Journal of Applied Biological Chemistry
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    • 제65권4호
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    • pp.439-446
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    • 2022
  • 콩은 양질의 단백질과 지방산이 풍부하며, 세계적으로 가장 많이 사용되는 형질전환작물(GM) 중 하나이다. 국내에서 GM콩은 주로 광안을 모본으로 하여 개발되고 있는 상황이다. 본 연구에서는 비표적 LC-MS 기반 대사체 분석기술을 이용하여 2020년도에 군위와 전주에서 재배한 광안과 세 일반콩의 대사체 프로파일을 비교분석 하였다. Partial least square-discriminant analysis (PLS-DA) 분석을 통하여 대사체 프로파일들은 품종별로 잘 분리되었으며, 페닐알라닌과 이소플라본, 지방산을 포함하여 18종 물질이 관여하는 것으로 확인하였다. PLS-DA 스코어 플롯에서 콩 4품종은 지역별로 클러스터를 형성하였으며, 이는 재배환경이 대사물질의 변화에 영향을 준 것으로 판단된다. 광안은 다른 품종들에 비하여 이소플라본 함량이 가장 낮았으며, 리놀렌산 함량은 가장 높았다. 광안을 이용하여 개발된 생명공학콩의 실질적동등성 평가의 경우 광안의 대사체 프로파일 특성을 고려한 비교품종 선정 등에 관하여 고찰하였다.

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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    • 제27권2호
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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.