Review
Chemistry, Analytical
Albert Perez-Alcaraz, Francesc Borrull, Marta Calull, Carme Aguilar
Summary: The consumption of synthetic cathinones has been increasing in recent years due to its affordability and accessibility as an alternative to amphetamines. Developing procedures capable of detecting and monitoring their consumption is crucial, and urine has been widely used for this purpose as it is non-invasive and provides larger sample volumes than other biological matrices. Chromatographic techniques are the most reported approach for determining cathinones in urine samples.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2021)
Review
Chemistry, Analytical
Bingshu He, Wei Zhang, Faisa Guled, Amy Harms, Rawi Ramautar, Thomas Hankemeier
Summary: This paper discusses the crucial factors for the performance of biomass-restricted metabolomics studies, including sampling and sample preparation methods, separation techniques, and ionization sources. It also provides overviews of MS-based miniaturized metabolomics studies reported over the past five years, with information on sample type, sample preparation volume, injection volume, separation techniques, and MS analyzers.
MICROCHEMICAL JOURNAL
(2021)
Article
Chemistry, Multidisciplinary
Fangfang Zhu, Honglong Liu, Wenqing Zhang, Chuanyuan Du, Hao Zhu, Xiaodi Du, Xiaosong Hu, Yawei Lin
Summary: A novel BSMAD derivative was synthesized for the quantitative analysis of BAs in alcoholic beverages, and a HPLC method with low detection limit and excellent repeatability was successfully established. The method was applied for BA determination in various types of alcoholic beverages with satisfactory recoveries, providing a reliable and sensitive approach for future studies.
Article
Endocrinology & Metabolism
Jun Kou, Chunyang He, Lin Cui, Zhengping Zhang, Wei Wang, Li Tan, Da Liu, Wei Zheng, Wei Gu, Ning Xia
Summary: The study on Chinese postmenopausal women with osteoporosis identified potential biomarkers related to metabolic pathway disorders, providing new insights for early diagnosis. The findings suggest that metabonomic analysis has great potential for application in postmenopausal women with osteoporosis.
FRONTIERS IN ENDOCRINOLOGY
(2022)
Review
Chemistry, Analytical
Ketki Bagwe, Noah Gould, Kendall R. Johnson, Alexander R. Ivanov
Summary: Tissues and cell populations exhibit high levels of heterogeneity at the cellular level, making it important to analyze smaller sample sizes to capture subtle differences between cells. Capillary electrophoresis coupled with mass spectrometry (CE-MS) is a powerful technique for proteomics and metabolomics analysis at the single-cell level, and this review focuses on its applications and recent advances in sample preparation, separation, MS acquisition, and data analysis.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2023)
Article
Engineering, Environmental
Luz A. Hernandez-Carabali, Rakesh Sachdeva, Jose B. Rojas-Trigos, Ernesto Marin, Carlos D. Garcia
Summary: In this study, a thin film of ZnO was grown and characterized to investigate its effect on the photo-chemical degradation of pharmaceuticals. The results showed that the film was able to efficiently degrade pharmaceutical compounds under relatively mild conditions and was applicable to other compounds with similar properties.
JOURNAL OF WATER PROCESS ENGINEERING
(2021)
Review
Chemistry, Multidisciplinary
Siyu Chen, Weibo Huang, Yunliang Qiu, Xueji Zhang, Jinming Kong
Summary: This paper describes the mechanism of action and drug metabolism process of flunitrazepam, reviews the different methods for detecting flunitrazepam published over the years, summarizes the detection limits of each method and compares their advantages and disadvantages. We hope to provide some inspiration for future research in this field.
Article
Medicine, General & Internal
Rintaro Saito, Masahiro Sugimoto, Akiyoshi Hirayama, Tomoyoshi Soga, Masaru Tomita, Toru Takebayashi
Summary: Large-scale metabolomic studies are common, but there is less focus on the reliability of uncharacterized peaks in untargeted metabolomics data. This study tested criteria to assess the reliability of uncharacterized peaks and identified some reliable peaks potentially related to important physiological processes like disease progression.
JOURNAL OF CLINICAL MEDICINE
(2021)
Article
Food Science & Technology
Maria Castro-Puyana, Maria L. Marina
Summary: This review article critically examines the significant advances in using CE-MS-based approaches to assess various aspects of Food Science, and discusses the latest developments in hardware and software.
CURRENT OPINION IN FOOD SCIENCE
(2023)
Review
Chemistry, Analytical
Behrouz Seyfinejad, Abolghasem Jouyban
Summary: This review aims to provide a guide on establishing reliable TDM, critically review current analytical methods and clinical practices for ISD TDM, and discuss key practical aspects of TDM.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2021)
Article
Biochemistry & Molecular Biology
Hitoshi Iwamoto, Masaaki Okihara, Isao Akashi, Yu Kihara, Osamu Konno, Shigeyuki Kawachi, Makoto Sunamura, Masahiro Sugimoto
Summary: Kidney biopsy is commonly used to diagnose kidney transplant dysfunction. In this study, capillary electrophoresis-mass spectrometry was used to analyze the biofluids of transplant recipients. Metabolomics analyses revealed significant differences in the metabolomic profiles of the different groups, particularly in arginine biosynthesis and purine metabolism in plasma samples. Different types of kidney disorders also showed distinct metabolomic profiles.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Biochemical Research Methods
Shaobo Yang, Hong Yang, Yanlei Huang, Gong Chen, Chun Shen, Shan Zheng
Summary: Hirschsprung's disease (HSCR) is a congenital digestive tract malformation characterized by the absence of intramural ganglion cells in the myenteric and submucosal plexuses along variable lengths of the gastrointestinal tract. This study used metabolomic profiling to analyze HSCR serum samples and identified 21 biomarkers related to HSCR. It revealed that tryptophan metabolism was a crucial disordered pathway in HSCR. This is the first serum metabolomics study focusing on HSCR and provides a new perspective for explaining its mechanism.
JOURNAL OF PROTEOME RESEARCH
(2023)
Article
Environmental Sciences
Naeun Kim, Yongtae Ahn, Jungman Jo, Heesoo Pyo, Jeongae Lee, Jaeyoung Choi
Summary: This study investigated the effects of accidental contamination of soils with various chemicals, and found that phytosphingosine and Sphingomonas could potentially serve as biomarkers to evaluate soil contamination. Rain played an important role in the recovery of microbial and metabolic profiles after chemical accidents.
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.
Review
Chemistry, Medicinal
Hussain Alessa, Amr L. Saber, Jalal T. Althakafy
Summary: This study aimed to summarize recent outcomes of chromatographic methods, such as gas chromatography and high-performance liquid chromatography, used for the determination of melatonin over the past three decades.
ARCHIV DER PHARMAZIE
(2022)
Article
Biochemical Research Methods
Xiaoxiao Wang, Fujian Zheng, Meizhen Sheng, Guowang Xu, Xiaohui Lin
Summary: To improve the accuracy of retention time (RT) prediction, this study proposes a method called multi-data combinations and adaptive neural network (MDC-ANN). MDC-ANN establishes the RT prediction model for a target chromatographic system using transfer learning and a deep learning model trained on a large dataset. Experimental results demonstrate that integrating multiple molecular representations provides more information, improves RT prediction performance, and contributes to compound annotation. Different chromatographic systems may require different molecular representation combinations for accurate RT prediction. Hence, MDC-ANN, which automatically determines the best combination of molecular representations for a specific system, shows promise for accurate RT prediction in real applications.
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
(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
Biochemistry & Molecular Biology
Xiaoshan Sun, Zhen Jia, Yuqing Zhang, Xinjie Zhao, Chunxia Zhao, Xin Lu, Guowang Xu
Summary: Direct infusion nanoelectrospray high-resolution mass spectrometry (DI-nESI-HRMS) is a promising tool for high-throughput metabolomics analysis. To overcome the limitations of metabolite assignment, a serum metabolome characterization method using a reaction network combined with mass accuracy and isotopic patterns filter was proposed. The approach was validated and compared to database search, showing improved coverage and accuracy rates. The method was then applied to a case study in diabetes metabolomics.
Article
Nanoscience & Nanotechnology
Ruibin Qiang, Haofei Huang, Jia Chen, Xianzhe Shi, Zengjie Fan, Guowang Xu, Hongdeng Qiu
Summary: Rheumatoid arthritis (RA) is characterized by inflammation and pain in the joints, caused in part by a lack of lubrication and excessive proinflammatory proteins. Researchers have developed two potential nanoagents, derived from herbal medicine, that offer both improved joint lubrication and anti-inflammatory effects, showing promise for treating RA.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Chemistry, Analytical
Xiaoshan Sun, Yueyi Xia, Xinjie Zhao, Xinxin Wang, Yuqing Zhang, Zhen Jia, Fujian Zheng, Zaifang Li, Xiuqiong Zhang, Chunxia Zhao, Xin Lu, Guowang Xu
Summary: Direct-infusion Fourier transform ion cyclotron resonance mass spectrometry (DI-FTICR MS) is a promising method for metabolomic analysis with ultrahigh mass accuracy and resolution. In this study, a novel deep characterization approach of serum metabolome was proposed using a segment-optimized spectral-stitching DI-FTICR MS method. This method combines high-confidence and database-independent formula assignments to achieve highly efficient acquisition and accurate assignment of thousands of features in a pooled human serum sample.
ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Analytical
Xinxin Wang, Chao Li, Zaifang Li, Yanpeng Qi, Xiuqiong Zhang, Xinjie Zhao, Chunxia Zhao, Xiaohui Lin, Xin Lu, Guowang Xu
Summary: In this study, a structure-guided molecular network strategy (SGMNS) is proposed for deep annotation of untargeted metabolomics data. The strategy utilizes a global connectivity molecular network (GCMN) constructed based on molecular fingerprint similarity of chemical structures in metabolome databases. SGMNS performs network annotation propagation using known metabolites as seeds and achieves high annotation accuracy and precision.
ANALYTICAL CHEMISTRY
(2023)
Article
Environmental Sciences
Yuting Wang, Lina Zhou, Tiantian Chen, Lei You, Xianzhe Shi, Xinyu Liu, Sijia Zheng, Jie Jiang, Yuebin Ke, Guowang Xu
Summary: In this study, a 2D-LC-HRMS-based screening strategy was developed for simultaneously screening pesticides, veterinary/human drugs, and other chemical pollutants in serum. The method was validated to detect 92% and 81% of 1022 residues spiked in serum at concentrations of 50 ng/mL and 5 ng/mL, respectively. This strategy is helpful for studying the effect of exogenous exposures on human health.
ENVIRONMENTAL POLLUTION
(2023)
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)
Article
Cardiac & Cardiovascular Systems
Gaokun Qiu, Yuhui Lin, Yang Ouyang, Mingrong You, Xinjie Zhao, Hao Wang, Rundong Niu, Wending Li, Xuedan Xu, Qi Yan, Yurong Liu, Yingmei Li, Handong Yang, Xiulou Li, Meian He, Xiaomin Zhang, Xiao-Ou Shu, Guowang Xu, Tangchun Wu
Summary: This study aimed to identify metabolites associated with incident acute coronary syndrome (ACS) and explore the causality of these associations. Three metabolites were found to be associated with ACS risk, including one that is a degradation product of a gut-brain peptide, one that is a marker of short-term glycemic excursions, and one that is a very-long-chain saturated fatty acid. These findings highlight the importance of gastrointestinal hormones and glycemic fluctuations in the development of ACS.
JOURNAL OF THE AMERICAN HEART ASSOCIATION
(2023)
Article
Immunology
Xinyu Liu, Congshu Xiao, Pengwei Guan, Qianqian Chen, Lei You, Hongwei Kong, Wangshu Qin, Peng Dou, Qi Li, Yanju Li, Ying Jiao, Zhiwei Zhong, Jun Yang, Xiaolin Wang, Qingqing Wang, Jinhui Zhao, Zhiliang Xu, Hong Zhang, Rongkuan Li, Peng Gao, Guowang Xu
Summary: To control the COVID-19 pandemic, efforts have been made to achieve herd immunity through vaccination since 2020. Unfortunately, most COVID-19 vaccines were approved without a thorough evaluation process. Metabolomic analysis can authentically assess the effects of vaccines by reflecting the responses to stimuli.
FRONTIERS IN IMMUNOLOGY
(2023)
Article
Gastroenterology & Hepatology
Runze Ouyang, Juan Ding, Yan Huang, Fujian Zheng, Sijia Zheng, Yaorui Ye, Qi Li, Xiaolin Wang, Xiao Ma, Yuxin Zou, Rong Chen, Zhihong Zhuo, Zhen Li, Qi Xin, Lina Zhou, Xin Lu, Zhigang Ren, Xinyu Liu, Petia Kovatcheva-Datchary, Guowang Xu
Summary: The gut microbiota plays a crucial role in maintaining host wellbeing by producing various metabolites. The assembly of the gut microbiome is influenced by postnatal factors, but little is known about the development of the gut metabolome. Our study reveals that geography has a significant impact on microbiome dynamics in the first year of life, with major compositional differences observed between Chinese and Swedish cohorts. We found that lipid metabolism, especially acylcarnitines and bile acids, is the most abundant metabolic pathway in the newborn gut, and delivery mode and feeding contribute to differences in the gut metabolome since birth.