Article
Chemistry, Analytical
Lauren M. Bishop, Tong Shen, Oliver Fiehn
Summary: Accurate and reproducible quantification of endogenous lipids is crucial for large-scale lipidomic analyses. Many lipids in liquid chromatography-electrospray ionization-mass spectrometry form various adducts with buffer components, and the mechanisms and conditions affecting adduct formation are poorly understood. Variations in adduct ratios can lead to significant inaccuracies during quantification, and the use of multiple adduct ions improves accuracy compared to using a single adduct ion.
ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Analytical
Chiara Maria Vitale, Arjen Lommen, Carolin Huber, Kevin Wagner, Borja Garlito Molina, Rosalie Nijssen, Elliott James Price, Marco Blokland, Frederike van Tricht, Hans G. J. Mol, Martin Krauss, Laurent Debrauwer, Olga Pardo, Nuria Leon, Jana Klanova, Jean-Philippe Antignac
Summary: A set of QA/QC criteria for nontargeted measurement of pesticide exposure markers in human urine has been proposed and applied in the HBM4EU project. The criteria include monitoring signal intensities, mass accuracy, and retention times of selected markers. The results show high repeatability and accuracy of the data. This is the first time that harmonized QA/QC criteria have been used to assess the quality of nontargeted analysis of human samples across multiple laboratories.
ANALYTICAL CHEMISTRY
(2022)
Article
Pharmacology & Pharmacy
Sin-Eun Kim, Seung-Bae Ji, Euihyeon Kim, Minseon Jeong, Jina Kim, Gyung-Min Lee, Hyung-Ju Seo, Subin Bae, Yeojin Jeong, Sangkyu Lee, Sunghwan Kim, Taeho Lee, Sung Jin Cho, Kwang-Hyeon Liu
Summary: DN203368 is a 4-hydroxy tamoxifen analog and a dual inverse agonist of ERR beta/gamma, potentially targeting metabolic diseases. In vitro metabolism of the compound in rat and human liver microsomes was studied using high-resolution mass spectrometry and metabolomic approaches, revealing different metabolites and pathways in the two species. This study suggests that non-targeted metabolomics with multivariate analysis may be more efficient for drug metabolite identification than conventional methods, aiding in understanding the pharmacokinetics and metabolism of DN203368 in animals and humans.
Article
Biochemical Research Methods
Juan J. Aristizabal-Henao, Dominick J. Lemas, Fmily K. Griffin, Kaylie Anne Costa, Camden Camacho, John A. Bowden
Summary: The number of metabolomics studies has increased significantly in recent years, with advancements in analyte separation techniques and databases playing a major role in this growth. Establishing baseline metabolomics data using complementary data acquisition strategies can help address challenges in comparing data across studies. This study provides valuable nontargeted metabolomics data for various human reference materials, highlighting significant differences between sample types and supporting the use of nontargeted strategies in global metabolomics.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2021)
Article
Biochemical Research Methods
Tiantian Chen, Wenying Liang, Xiuqiong Zhang, Xin Lu, Chunxia Zhao, Guowang Xu
Summary: A nontargeted screening strategy based on mass defect filtering (MDF) was developed for veterinary drugs. Three MDF models were established and applied to screen veterinary drugs in milk samples, identifying four veterinary drugs and six drug metabolites. This strategy effectively removes interfering substances and can be used for nontargeted screening in other food matrices.
Article
Biochemical Research Methods
Matthew J. Sorensen, Robert T. Kennedy
Summary: Capillary LC-MS based metabolomics utilizing sub-micron particles and long columns shows promising potential for fast and high resolution separations in the field of metabolomics.
JOURNAL OF CHROMATOGRAPHY A
(2021)
Article
Biochemistry & Molecular Biology
Zhanxuan E. Wu, Marlena C. Kruger, Garth J. S. Cooper, Ivana R. Sequeira, Anne-Thea McGill, Sally D. Poppitt, Karl Fraser
Summary: Untargeted metabolomics of blood samples has been widely used to study metabolic alterations in diseases and identify biomarkers. This study found that the concentration of metabolites in plasma was more reflective of the liver profile than muscle or adipose tissue, highlighting the importance of considering the metabolomic relationship between different tissues and plasma.
Article
Biochemical Research Methods
Sabrina Di Masi, Giuseppe E. De Benedetto, Cosimino Malitesta, Maria Saponari, Cinzia Citti, Giuseppe Cannazza, Giuseppe Ciccarella
Summary: The study identified potential biomarkers for Olive quick decline syndrome (OQDS) by analyzing metabolic profile differences in infected and healthy olive tree leaf samples. The findings suggest disturbances in flavonoid and long-chain fatty acid metabolism in infected samples, indicating a decrease in host defense capabilities. Additionally, oleic acid was confirmed as a putative diffusible signal factor (DSF), highlighting the power of LC-HRMS-based metabolomics in plant disease biomarker discovery.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Applied
Wenying Liang, Fujian Zheng, Tiantian Chen, Xiuqiong Zhang, Yueyi Xia, Zaifang Li, Xin Lu, Chunxia Zhao, Guowang Xu
Summary: A novel nontargeted screening strategy for veterinary drugs and their metabolites based on fragmentation characteristics was developed and applied successfully to egg samples, demonstrating its potential for comprehensive safety evaluation of animal-derived foods.
Article
Plant Sciences
Alison Green, Guillermo Federico Padilla-Gonzalez, Methee Phumthum, Monique S. J. Simmonds, Nicholas J. Sadgrove
Summary: Commercially used for treating chronic venous insufficiency, A. hippocastanum L. fruits contain beta-aescin which exhibits anti-inflammatory effects. However, diverse organ-specific secondary metabolites have been overlooked as potential pharmacological opportunities. Untargeted metabolomics analysis revealed unique chemical profiles in different organs of Aesculus plants, with fruits showing the highest antifungal and antioxidant activities. This suggests potential therapeutic leads for further exploration in the entire genus of Aesculus.
Article
Food Science & Technology
Frank Klont, Stepan Stepanovic, Daan Kremer, Ron Bonner, Daan J. Touw, Eelko Hak, Stephan J. L. Bakker, Gerard Hopfgartner
Summary: This study describes improved strategies for detecting chemical exposures and their application in a non-targeted metabolomics study on kidney transplant recipients. The new methods can detect more chronic exposures and improve the reliability of detecting intermittent exposures.
FOOD AND CHEMICAL TOXICOLOGY
(2022)
Article
Chemistry, Analytical
Katherine T. Peter, Allison L. Phillips, Ann M. Knolhoff, Piero R. Gardinali, Carlos A. Manzano, Kelsey E. Miller, Manuel Pristner, Lyne Sabourin, Mark W. Sumarah, Benedikt Warth, Jon R. Sobus
Summary: Non-targeted analysis (NTA) workflows using mass spectrometry are becoming increasingly popular in various disciplines, but there is still a lack of universally accepted reporting standards. To address this issue, researchers have developed the NTA Study Reporting Tool (SRT), which has been shown to be effective in guiding study design, manuscript writing, and evaluating NTA reporting quality through analysis of published articles.
ANALYTICAL CHEMISTRY
(2021)
Article
Psychiatry
Meng Song, Ya Liu, Jiahui Zhou, Han Shi, Xi Su, Minglong Shao, Yongfeng Yang, Xiujuan Wang, Jingyuan Zhao, Dong Guo, Qing Liu, Luwen Zhang, Yan Zhang, Luxian Lv, Wenqiang Li
Summary: Using liquid chromatography mass spectrometry, the study identified potential biomarkers associated with the diagnosis and treatment of schizophrenia. Biomarker panels were selected to distinguish between schizophrenia and healthy controls, as well as between schizophrenia before and after medication. Disturbances in lipid metabolism, sulfation modification, tryptophan metabolism, anti-inflammatory and antioxidant systems, and unsaturated fatty acids metabolism were observed in schizophrenia. These findings could contribute to the development of objective diagnostic and drug treatment monitoring tools for schizophrenia.
PSYCHIATRY RESEARCH
(2023)
Article
Immunology
Meilin Ding, Zha Zhen, Mei Ju, Suolang Quzong, Xuesi Zeng, Xiaoxia Guo, Rui Li, Mingming Xu, Jingjing Xu, Hongyang Li, Wei Zhang
Summary: Our study found significant differences in the metabolomic profiles between vitiligo patients and healthy subjects in both plateau and plain areas, with significantly higher levels of S1P in the serum of vitiligo patients and healthy subjects in the plateau area. These findings suggest that alterations in S1P metabolism may be involved in the pathogenesis of vitiligo.
CLINICAL IMMUNOLOGY
(2023)
Review
Chemistry, Analytical
Hanne Roberg-Larsen, Elsa Lundanes, Tuula A. Nyman, Frode S. Berven, Steven Ray Wilson
Summary: Single-cell analysis provides in-depth insights into diseases and diagnostics, with liquid chromatography playing a crucial role. The development of novel sample preparation techniques and improvements in mass spectrometry are enhancing the promise of single-cell analysis. However, technical challenges and the need for higher throughput and robustness may lead to the reinvention of alternative nano LC column formats.
ANALYTICA CHIMICA ACTA
(2021)
Article
Biology
Chao Li, Peng Dou, Tianxiang Wang, Xin Lu, Guowang Xu, Xiaohui Lin
Summary: Studying miRNA synergy and identifying miRNA synergistic modules can help understand complex diseases such as cancers. A new method called DDRM combines knowledge databases and miRNA data to define disease-related modules and construct a weighted miRNA synergistic network. Experiments on TCGA datasets showed that DDRM can accurately distinguish cancer samples from normal samples and outperforms previous methods. Validation on prostate cancer data also demonstrated superior performance. Hence, combining miRNA synergy networks and miRNA data is significant for studying disease mechanisms.
COMPUTERS IN BIOLOGY AND MEDICINE
(2023)
Article
Food Science & Technology
Zhihui Wang, Zhihua Wang, Weidong Dai, Yan Huang, Fuming Lin, Haomin Dai, Zhe Zhou, Xingchen Lin, Zhi Lin, Weijiang Sun
Summary: In this study, the composition and dynamic changes of the bacterial community during the long-term storage of compressed white tea (CWT) were investigated. The results showed that the bacterial diversity initially decreased and then increased significantly during CWT storage. The dominant phyla and genera of bacteria changed significantly in the 10th year, which was also the key period for alterations in antioxidant capability. The study further revealed that aerobic bacteria played a dominant role in these changes and influenced the phenol content, thus affecting the antioxidant ability of CWT. Additionally, 29 biomarkers unique to different storage years were identified during the study.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2023)
Article
Biochemistry & Molecular Biology
Miriam Hoene, Xinjie Zhao, Juergen Machann, Andreas L. L. Birkenfeld, Martin Heni, Andreas Peter, Andreas Niess, Anja Moller, Rainer Lehmann, Guowang Xu, Cora Weigert
Summary: Physical exercise is a powerful preventative measure for cardiometabolic diseases. The individual response to lifestyle interventions varies and cannot currently be predicted. Recent research has shown that Lac-Phe produced during exercise could contribute to weight loss and potentially explain differences in the effectiveness of exercise interventions in humans.
Article
Medical Laboratory Technology
Disheng Feng, Zixuan Wang, Hang Li, Xianzhe Shi, Lin Zou, Hongwei Kong, Zhiliang Xu, Chaowen Yu, Chunxiu Hu, Guowang Xu
Summary: This study developed a highly efficient method for rapid and accurate measurement of 17-alpha-hydroxyprogesterone (17-OHP) and related steroids in amount/volume-limited clinic samples, which is of great importance for the precise newborn diagnosis of congenital adrenal hyperplasia (CAH) and its subtypes in clinic.
CLINICA CHIMICA ACTA
(2023)
Article
Engineering, Environmental
Chang Wang, Huayu Fu, Jun Yang, Lei Liu, Fenghong Zhang, Chunyu Yang, Hongyuan Li, Jiamiao Chen, Qi Li, Xiaolin Wang, Yaorui Ye, Nan Sheng, Yong Guo, Jiayin Dai, Guowang Xu, Xinyu Liu, Jianshe Wang
Summary: A study found that PFECAs have inhibitory effects on cellular stress signals and lead to hepatomegaly in mice. Additionally, PFECAs also have inhibitory effects on glucocorticoid receptors, which may result in extensive suppression of stress signals. Unlike other similar substances, the next-generation replacements of legacy PFASs, PFECAs, may pose potential risks to human health.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Biochemistry & Molecular Biology
Qingqing Wang, Miriam Hoene, Chunxiu Hu, Louise Fritsche, Robert Ahrends, Gerhard Liebisch, Kim Ekroos, Andreas Fritsche, Andreas L. Birkenfeld, Xinyu Liu, Xinjie Zhao, Qi Li, Benzhe Su, Andreas Peter, Guowang Xu, Rainer Lehmann
Summary: Reliability, robustness, and interlaboratory comparability of quantitative measurements in clinical lipidomics studies are crucial. The different ex vivo stability of lipids in blood poses a risk to data interpretation. Clear recommendations for blood sample collection are necessary. In this study, we used UHPLC-high resolution mass spectrometry to investigate the stability of 417 lipid species in EDTA whole blood under different temperature conditions and time points. Our data suggest that cooling whole blood immediately and continuously, and separating plasma within 4 hours, unless focusing on robust lipids, are recommended. Lists of lipids' ex vivo (in)stability and potential biomarkers in whole blood are provided. Overall, our results contribute to the international efforts in achieving reliable and comparable clinical lipidomics studies in the future.
JOURNAL OF LIPID RESEARCH
(2023)
Article
Chemistry, Analytical
Xingyu Guo, Lina Zhou, Yi Wang, Feng Suo, Chuanxia Wang, Wei Zhou, Lingshan Gou, Maosheng Gu, Guowang Xu
Summary: This study developed a LC-MS-based method for neonatal metabolomics analysis of DBS and investigated the influences of blood volume and chromatographic effects on metabolite levels. The method showed good repeatability, precision, and linearity, and was applied to study metabolic disruptions of congenital hypothyroidism.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2023)
Article
Biochemical Research Methods
Xin Lu, Peng Dou, Chao Li, Fujian Zheng, Lina Zhou, Xiaoyu Xie, Zixuan Wang, Guowang Xu
Summary: This study proposes an annotation strategy involving the derivatization of dipeptides and tripeptides via dansylation, which can choose dipeptides/ tripeptides using a small number of standards. A total of 198 dipeptides and 149 tripeptides were annotated, and the variations in serum dipeptides/tripeptides of three different liver diseases were characterized.
JOURNAL OF PROTEOME RESEARCH
(2023)
Article
Neurosciences
Xiaojiao Xu, Qiu Yang, Zheyi Liu, Rong Zhang, Hang Yu, Manli Wang, Sheng Chen, Guowang Xu, Yaping Shao, Weidong Le
Summary: This study aimed to investigate the molecular changes at both metabolic and proteomic levels during the longitudinal progression of ALS and identify the most critical metabolic pathways and underlying mechanisms involved in ALS pathophysiological changes. The study found differential expressions of metabolites involved in purine metabolism, methionine cycle, and glycolysis in ALS mice, and abnormal expressions of enzymes in these metabolic pathways were also confirmed. Additionally, fatty acid metabolism, TCA cycle, arginine and proline metabolism, and folate-mediated one-carbon metabolism were significantly altered in this disease. The identified differential metabolites and proteins could complement existing data on metabolic reprogramming in ALS and provide new insights into the pathological mechanisms and therapeutic targets of ALS.
NEUROBIOLOGY OF DISEASE
(2023)
Review
Chemistry, Analytical
Di Yu, Lina Zhou, Xinyu Liu, Guowang Xu
Summary: The introduction of stable isotope labeling (SIL) technology has become a routine tool for functional metabolomics studies and allows for a deeper understanding of dynamic metabolic regulation in organisms. Mass spectrometry (MS) techniques have shown great vitality in this field by utilizing the different mass spectrometric characteristics between endogenous metabolites and their isotope-labeling forms. Recent advances in MS-based stable isotope-resolved metabolomics (SIRM) methods have expanded the breadth and depth of SIRM research by improving sample pretreatment, MS analysis, and data analysis. This review describes the recent progress of SIRM methods, summarizes their applications in metabolite identification, accurate quantification, and metabolic flux analysis, and discusses current limitations and challenges.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2023)
Article
Nutrition & Dietetics
Wenliang Wu, Jiang Shi, Jiqiang Jin, Zhen Liu, Yong Yuan, Zhida Chen, Shuguang Zhang, Weidong Dai, Zhi Lin
Summary: This study investigates the differences in primary and secondary metabolites and related metabolic pathways in different tissues of Jianghua Kucha. The bud showed higher levels of glucose-6-phosphate, citric acid, most amino acids, theobromine, catechin-gallate, epicatechin-gallate, procyanidins, and theasinensins. The 1st leaf contained higher levels of caffeine and epigallocatechin-3-gallate, while the 4th leaf contained higher levels of most monosaccharides, theacrine, and epigallocatechin-3-O-(3-O-methyl)-gallate. Primary metabolites and important secondary metabolites were found to have certain correlations.
FRONTIERS IN NUTRITION
(2023)
Article
Chemistry, Applied
Yingying Li, He Zhou, Tian Tian, Yihong Hou, Dan Chen, Jie Zhou, Shuyuan Liu, Youben Yu, Weidong Dai, Tianshan Zhou
Summary: This study investigated the effects of golden flora amount on the sensory quality, metabolites, and bioactivities of Fu brick tea. Different golden flora amounts were used to prepare the tea samples, resulting in changes in tea liquor color and astringent taste. Targeted analysis revealed decreased levels of (-)-epigallocatechin gallate, (-)-epicatechin gallate, and most amino acids with increased golden flora. Untargeted analysis identified 70 differential metabolites, where 16 compounds, including two Fuzhuanins and four EPSFs, were positively correlated with golden flora amount. Fu brick tea samples with golden flora demonstrated higher inhibitory potency on alpha-amylase and lipase. These findings provide a theoretical basis for guiding the processing of Fu brick tea based on desired sensory quality and metabolites.
Article
Chemistry, Applied
Jianjian Gao, Mengxue Zhou, Dan Chen, Jiye Xu, Zhe Wang, Jiakun Peng, Zhiyuan Lin, Shuai Yu, Zhi Lin, Weidong Dai
Summary: An affinity selection-mass spectrometry method was used to screen for α-glucosidase (AGH) inhibitors from teas, resulting in the identification of 14 galloylated polyphenols (GPs) out of 19 inhibitor candidates. Various studies suggested that GPs noncompetitively inhibit AGH activity by interacting with amino acid residues near the active site of AGH and inducing changes in AGH secondary structure. In cellular and animal experiments, representative GPs and white tea extract (WTE) showed comparable AGH inhibition effects and hypoglycemic efficacy as acarbose. These findings provide a high-efficiency approach to discover novel AGH inhibitors and explain the potential mechanism by which tea reduces diabetes risks.
Article
Biochemical Research Methods
Xiaoyu Xie, Liangqiang Chen, Tiantian Chen, Fan Yang, Zixuan Wang, Yang Hu, Jianjun Lu, Xin Lu, Qi Li, Xiuqiong Zhang, Ming Ma, Li Wang, Chunxiu Hu, Guowang Xu
Summary: This study presents a chlorine isotope labeling-assisted ultrahigh-performance liquid chromatography-high resolution mass spectrometry-based method for profiling and annotating carbonyl compounds in sauce flavored-Baijiu Daqu. A total of 487 carbonyl compounds were detected, among which 314 (64.5%) were positively or putatively identified. The method provides an effective and economical strategy for comprehensive analysis of carbonyl compounds in complex matrix samples.
JOURNAL OF CHROMATOGRAPHY A
(2023)
Editorial Material
Chemistry, Analytical
Xinyu Liu, Xin Lu, Xianzhe Shi, Guowang Xu
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2023)
