Article
Nutrition & Dietetics
Sunyoung Ahn, Su Hwan Lee, Kyung Soo Chung, Nam Su Ku, Young-Min Hyun, Sail Chun, Moo Suk Park, Sang-Guk Lee
Summary: The study found significant differences in serum amino acid composition between sepsis patients, healthy individuals, and patients with inflammation only. The newly developed multivariate index based on amino acid profiling showed promising potential in diagnosis and prognosis, expected to be implemented as a sepsis biomarker in clinical practice in the near future.
CLINICAL NUTRITION
(2021)
Article
Engineering, Environmental
Xin Qi, Hua Yin, Minghan Zhu, Pengling Shao, Zhi Dang
Summary: This study investigated the mechanism of how biochar affects the biodegradation of BDE-47 and found that biochar can promote the degradation of BDE-47, alleviate its cytotoxicity to bacteria, and improve bacterial metabolism and energy supply through upregulation of metabolites expression.
Article
Environmental Sciences
Chunxue Yang, Juntong Wei, Guodong Cao, Zongwei Cai
Summary: The study found that BDE-47 in combination with HFD induced adipocyte hypertrophy, accelerated weight gain in WAT, promoted oxidative stress, and caused lipid metabolism dysfunction in HFD-fed mice. The continuous exposure to BDE-47 in HFD mice led to lipotoxicity in WAT and severe obesity by increasing inflammatory infiltration and disrupting lipid metabolism.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Multidisciplinary Sciences
Nicholas J. J. Morehouse, Trevor N. N. Clark, Emily J. J. McMann, Jeffrey A. A. van Santen, F. P. Jake Haeckl, Christopher A. A. Gray, Roger G. G. Linington
Summary: Spectral matching of MS2 fragmentation spectra has limitations due to instrument differences and limited spectral reference libraries. To overcome this challenge, SNAP-MS uses structural similarity network annotation to assign compound families to molecular networking subnetworks without using experimental or calculated reference spectra. SNAP-MS accurately annotates subnetworks built from both reference spectra and an in-house microbial extract library, and predicts compound families from published molecular networks acquired using different MS instruments.
NATURE COMMUNICATIONS
(2023)
Article
Biochemistry & Molecular Biology
Maria Pilar Giner, Stefan Christen, Simona Bartova, Mikhail Makarov, Marie E. Migaud, Carles Canto, Sofia Moco
Summary: NAD(+) and its reduced form NADH are essential coenzymes in hundreds of metabolic reactions, serving as substrates for key enzymes. Analyzing the NAD(+) metabolome using liquid chromatography-tandem mass spectrometry can provide insights into NAD(+) biology and its implications for health and disease.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
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
Chemistry, Analytical
Jun Xiong, Ke-Ke Chen, Neng-Bin Xie, Tong-Tong Ji, Si-Yu Yu, Feng Tang, Conghua Xie, Yu-Qi Feng, Bi-Feng Yuan
Summary: MLAD-seq is a valuable tool for the bisulfite-free, single-base resolution and quantitative detection of 5mC in limited DNA. It utilizes the interaction between a mutant of DNA methyltransferase and APOBEC3A deamination to differentiate between 5mC and C through differential readouts.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Daniel Eilertz, Michael Mitterer, Joerg M. Buescher
Summary: This study presents an automated tool automRm for preprocessing of liquid chromatography-mass spectrometry data, which includes features such as using machine learning for chromatographic peak detection and quality control of results. The tool is generally applicable to a wide range of analytical methods and outperforms other software solutions when applied to a HILIC-MS data set.
ANALYTICAL CHEMISTRY
(2022)
Article
Environmental Sciences
Jingjing Sha, Xiaoyang Jian, Qingyun Yu, Miao Wei, Xiaoyu Li, Ludan Zhao, Yanping Qi
Summary: This study investigates the effects of PBDEs on Brachionus plicatilis and finds that low concentrations activate antioxidant defense mechanisms, while high concentrations impair antioxidative capacity, leading to the accumulation of free radicals, increased lipid peroxidation, and DNA damage.
Article
Chemistry, Analytical
Teresa S. McMillen, Andrew Leslie, Kenneth Chisholm, Susanne Penny, Jeffrey Gallant, Alejandro Cohen, Arik Drucker, James P. Fawcett, Devanand M. Pinto
Summary: This study presents a comprehensive and quantitatively robust method for metabolomic analysis, using HILIC and RP stationary phases combined with positive and negative electrospray ionization. The method allows for complete analysis of a single sample in as little as 40 minutes and has been validated with clinical samples.
ANALYTICA CHIMICA ACTA
(2023)
Article
Biochemical Research Methods
John B. Coulton, James L. Edwards
Summary: The sample preparation technique described in the study involves online filter-assisted electroporation-based cell lysis and chilled organic solvent extraction for rapid preparation of metabolomic samples from suspended cells. By using isotopically labeled internal standards and C-13-glucose labeling experiments, the method ensures enzymatic quenching and successful incorporation of C-13 into organic acid metabolites. Analysis by nano-reverse-phase liquid chromatography-mass spectrometry (nano-RP-LC-MS) demonstrates the effectiveness of the technique in studying metabolites such as itaconate.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2021)
Article
Biochemical Research Methods
Tusharkanti Ghosh, Daisy Philtron, Weiming Zhang, Katerina Kechris, Debashis Ghosh
Summary: The MaRR procedure was introduced to examine reproducibility in mass spectrometry-based metabolomics experiments, showing higher reproducibility for technical replicates compared to biological replicates across different datasets. The MaRR procedure tends to have high power for detecting reproducible metabolites in most situations, while in some cases it may perform less well.
BMC BIOINFORMATICS
(2021)
Article
Chemistry, Analytical
Wen Lin, Yuping Chen, Yang Su, Xiaopin Lai, Kunbin Guo, Xin Wang, Siyu Chen, Kaiqing Liang, Keyuan Pu, Yue Wang, Jun Hu, Xiaolong Wei, Hongbiao Wang, Wenxiu Ni, Yan Lin, Janshon Zhu, Kwan-Ming Ng
Summary: This research successfully fabricated a covalently bonded AuNPs array for analyzing small biomolecules in human serum in high-salt environments. The covalently bonded array showed superior performances in stability, reproducibility, and sensitivity compared to the self-assembled array. Furthermore, the closely positioned AuNPs generated an enhanced electric field, thereby enhancing the detection sensitivity.
ANALYTICAL CHEMISTRY
(2022)
Review
Chemistry, Analytical
Shaojie Qin, Daiyu Miao, Xue Zhang, Yi Zhang, Yu Bai
Summary: Metabolomics at the single-cell level using mass spectrometry has great importance in revealing phenotypic heterogeneity and contributing to precision diagnosis of diseases. This review categorizes and summarizes the developments of mass spectrometry-based single-cell metabolomics according to different ionization methods, systematically introducing key parameters such as cell throughput, metabolite coverage, and imaging capability. Challenges and perspectives for further development of techniques, data integration, and biological applications in mass spectrometry-based single-cell metabolomics are proposed.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2023)
Article
Biochemical Research Methods
Ruimin Wang, Miaoshan Lu, Shaowei An, Jinyin Wang, Changbin Yu
Summary: In this study, a novel deep learning-based model called 3D-MSNet was proposed for untargeted feature extraction in metabolomics research. Comparisons with nine popular software demonstrated that 3D-MSNet outperformed others in feature detection and quantification accuracy. Additionally, 3D-MSNet exhibited high feature extraction robustness and could be applied to profile MS data acquired with various high-resolution mass spectrometers.
Article
Biochemical Research Methods
Shuailong Chen, Xuan Li, Shijia Liu, Longshan Zhao, Wenyong Zhang, Zhili Xiong, Hemi Luan
Summary: A rapid, sensitive, and high-throughput isotope dilution liquid chromatography-negative ion electrospray tandem mass spectrometry (IDLC-nESI-MS/MS) method was developed for accurate quantification of multiple ceramides. This method demonstrated good linearity and recovery, and could be applied for studying ceramide biology and disease diagnosis.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Analytical
Lei Guo, Jiyang Dong, Xiangnan Xu, Zhichao Wu, Yinbin Zhang, Yongwei Wang, Pengfei Li, Zhi Tang, Chao Zhao, Zongwei Cai
Summary: Research on metabolic heterogeneity is crucial for understanding the molecular mechanisms of diseases and developing personalized treatments. The use of mass spectrometry imaging (MSI) enables the identification of spatially contiguous or sporadic regions of interest, revealing the heterogeneity of an organism at a molecular level.
ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Analytical
Li Xiang, Yi Ru, Jingchun Shi, Li Wang, Hongzhi Zhao, Yu Huang, Zongwei Cai
Summary: In this study, a simple and sensitive method for the detection of N-acyl glycines (NAGlys) in plasma and urine samples using liquid chromatography-mass spectrometry (LC-MS) is described. The use of a derivatization reagent, 3-nitrophenylhydrazine, allows for quick reaction in aqueous solution without the need for a quenching step. NAGlys were first identified based on high-resolution LC-MS and subsequently quantified on triple quadrupole LC-MS. This approach enables a broader measurement of NAGlys and potential identification of diagnostic biomarkers for type II diabetes and diabetic complications.
ANALYTICAL CHEMISTRY
(2023)
Article
Engineering, Environmental
Xiaochong He, Qiting Zhao, Xuyang Chai, Yuanyuan Song, Xuelan Li, Xingwen Lu, Shoupeng Li, Xin Chen, Yong Yuan, Zongwei Cai, Zenghua Qi
Summary: A study was conducted to analyze the concentration and chemical speciation of PM2.5-bound lead (PM2.5-Pb) at a non-ferrous metal smelting site. It was found that PM2.5-Pb exposure has a significant impact on human absorption of lead and can cause cardiovascular damage. Animal simulation experiments were used to evaluate the relationship between PM2.5-Pb exposure and cardiovascular damage, and a risk assessment model was established. This research provides accurate estimates of the risk of PM2.5-bound heavy metals on the cardiovascular system and offers a scientific basis for future prevention and therapy of PM2.5-Pb-related diseases.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Engineering, Environmental
Hongli Tan, Liu Yang, Xiaolin Liang, Diedie Huang, Xinhang Qiao, Qingyuan Dai, Da Chen, Zongwei Cai
Summary: With the tightening restrictions on phthalate esters (PAEs), nonphthalate plasticizers (NPPs) are increasingly used. However, there is limited knowledge on the environmental occurrences, fate, and human exposure risks of many emerging NPPs. This study investigated the presence of NPPs and major PAEs in house dust, finding widespread occurrences of NPPs, such as ATBC, TCTM, TOTM, GMO, MO, and DiBA. Although current exposure may not pose significant health risks, potential hazards cannot be overlooked due to the lack of toxic threshold data and possible cocktail effects.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Editorial Material
Engineering, Environmental
Guodong Cao, Zongwei Cai
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Chemistry, Analytical
Jing Chen, Peisi Xie, Qingyuan Dai, Pengfei Wu, Yu He, Zian Lin, Zongwei Cai
Summary: In this study, MALDI-2 and TIMS imaging were used to analyze lipids and metabolites in H295R adrenocortical MCTS. MALDI-2 detected more lipids and metabolites in MCTS compared to traditional MALDI, while TIMS successfully separated isomeric and isobaric ions in different regions of MCTS. MS/MS imaging experiments further confirmed the presence of these isomeric and isobaric ions. These findings demonstrate the potential of MALDI-2 and TIMS imaging as valuable tools for lipid and metabolite analysis in MCTS for various biological and medical research fields.
Article
Engineering, Environmental
Xuemei Wang, Chin Wai Leung, Zongwei Cai, Di Hu
Summary: Organophosphate flame retardants (OPFRs) were found in PM2.5 in Hong Kong, with chlorinated OPFRs being the dominant component. Plastic processing and waste disposal were identified as the main emission sources. Health risk assessment revealed a low-risk level for PM2.5-bound OPFRs, but relatively high noncarcinogenic and carcinogenic risks were associated with chlorinated OPFRs emitted from plastic processing and waste disposal.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Engineering, Environmental
Guodong Cao, Wei Wang, Jing Zhang, Pengfei Wu, Han Qiao, Huankai Li, Gefei Huang, Zhu Yang, Zongwei Cai
Summary: para-Phenylenediamine quinones (PPD-Qs) are newly discovered transformation products derived from para-phenylenediamine (PPD) antioxidants. Their occurrence and fate in wastewater treatment plants (WWTPs) need further investigation to improve pollutant removal efficiency.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Engineering, Environmental
Jie-Ru Jiang, Zhi-Feng Chen, Xiao-Liang Liao, Qian-Yi Liu, Jia-Ming Zhou, Shi-Ping Ou, Zongwei Cai
Summary: Tire wear particles (TWPs) are increasingly present in water, but little is known about their environmental consequences. In this study, TWP leachates were analyzed to identify potentially toxic organic substances using high-resolution mass spectrometry and toxicity identification. Thirteen substances were structurally identified, with cyclic amines found to be toxic to the tested algal species. Metabolomic analysis revealed differential metabolites associated with linoleic acid and purine metabolism, and oxidative stress was identified as a key factor in algal growth inhibition. This study highlights the risk posed by TWP leachable substances to aquatic organisms.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Engineering, Environmental
Yanshan Liang, Leiguang Li, Hongna Zhang, Qingyuan Dai, Guangshan Xie, Bo Lei, Zhu Yang, Zongwei Cai
Summary: Triclosan can cause thyroid damage and disrupt the synthesis and release of thyroid hormones, leading to hypothyroidism.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Engineering, Environmental
Lin Zhu, Lei Du, Guodong Cao, Zongwei Cai
Summary: Existing and emerging persistent organic pollutants (POPs) pose significant threats to human health and economies. The development of effective mitigation strategies to remove or degrade these chemicals in the environment is crucial due to their persistence. Although various methods for electrocatalytic degradation of POPs have been developed in lab conditions, challenges such as harmful byproducts and limited working time hinder their practical application. This perspective work highlights high-entropy alloys as ideal catalyst materials for electrocatalytic degradation and discusses the use of AI to facilitate the design and testing of electrocatalysts. The challenges, negative effects, and solutions of applying AI in this process are also addressed.
ENVIRONMENTAL SCIENCE-ADVANCES
(2023)
Article
Biochemical Research Methods
Mei Xie, Tianlan Chen, Zongwei Cai, Bo Lei, Cheng Dong
Summary: Traditional diagnosis of infectious diseases relies on advanced analyzers in central hospitals, which is not sufficient for rapid control of epidemics, especially in resource-limited areas, raising the importance of the development of diagnostic systems for point-of-care testing (POCT). Here, researchers developed a simple and cost-effective digital microfluidic (DMF) platform in combination with colorimetric loop-mediated isothermal amplification (LAMP) for simple on-site diagnosis of diseases by the naked eye. The DMF-LAMP assay showed comparable sensitivity to conventional LAMP assay but was more efficient, and possessed a simple chip structure and high flexibility to integrate multiplex analysis.
Article
Chemistry, Analytical
Li Xiang, Yi Ru, Jingchun Shi, Hongzhi Zhao, Yu Huang, Zongwei Cai, Li Wang
Summary: N-Acyl glycines (NAGlys) are important metabolites in the human body's detoxification system, and can be used in the diagnosis of metabolic diseases. A simple and sensitive method of NAGlys detection by LC-MS in plasma and urine samples is described, using 3-nitrophenylhydrazine as a derivatization reagent. This approach allows for a broader measurement of NAGlys, especially in the absence of authentic standards. The identified NAGlys have the potential to be diagnostic biomarkers for type II diabetes and diabetic complications.
ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Peige Qin, Shiping Zhu, Mengyao Mu, Yanmei Gao, Zongwei Cai, Minghua Lu
Summary: A new hierarchical mixed-dimensional metal-organic framework (MOF@MOF) hybrid material was prepared for the removal and enrichment of environmental pollutants. The material exhibited excellent adsorption performance for bisphenols (BPs) due to its extensive mesoporous structures and large surface area.
CHINESE CHEMICAL LETTERS
(2023)
