1

Mass spectrometry-based metabolomics: a guide for annotation,   quantification and best reporting practices

Nature Methods

2021

18，7，747–756

Saleh Alseekh， Asaph Aharoni， Yariv Brotman， Kévin Contrepois ，John D'Auria，Jan Ewald ，Jennifer C   Ewald， Paul D Fraser，Patrick Giavalisco ， Robert D Hall ， Matthias Heinemann, Hannes Link, Jie Luo,   Steffen Neumann, Jens Nielsen, Leonardo Perez de Souza, Kazuki Saito, Uwe   Sauer, Frank C Schroeder, Stefan Schuster, Gary Siuzdak, Aleksandra Skirycz,   Lloyd W Sumner, Michael P Snyder, Huiru Tang, Takayuki Tohge, Yulan Wang,   Weiwei Wen, Si Wu, Guowang Xu, Nicola Zamboni, Alisdair R Fernie

Saleh Alseekh， Alisdair R   Fernie

2

Association of Serum Bile Acids Profile and Pathway Dysregulation With   the Risk of Developing Diabetes Among Normoglycemic Chinese Adults: Findings   From the 4C Study

Diabetes Care

2021

44，2，499–510

Jieli Lu，Shuangyuan Wang，Mian Li， Zhengnan Gao，Yu Xu，Xinjie

Zhao，Chunyan Hu，Yi Zhang，Ruixin Liu，Ruying Hu，Lixin Shi，Ruizhi Zheng，Rui Du，Qing Su，Jiqiu Wang，Yuhong Chen， Xuefeng Yu，Li Yan，Tiange Wang，Zhiyun Zhao，Xiaolin Wang，Qi Li， Guijun Qin， Qin Wan，Gang Chen，Min Xu， Meng Dai，Di Zhang，Xulei Tang，Guixia Wang，Feixia Shen，Zuojie Luo， Yingfen Qin，Li Chen，Yanan Huo ，Qiang Li，Zhen Ye，Yinfei Zhang，Chao Liu，Youmin Wang，Shengli Wu，Tao Yang，Huacong Deng，Donghui Li，Shenghan Lai，Yiming Mu，Lulu Chen，Jiajun Zhao，Guowang Xu，Guang Ning，Yufang Bi， Weiqing Wang, 4C Study Group

Jieli Lu，Weiqing Wang

3

Comprehensive metabolic profiling of Parkinson's disease by liquid   chromatography-mass spectrometry

Molecular Neurodegeneration

2021

16，1，4（1-15）

Yaping Shao，Tianbai Li，Zheyi Liu，Xiaolin Wang，Xiaojiao Xu，Song Li，Guowang Xu，Weidong Le

Guowang Xu，Weidong Le

4

Gut microbiota-related metabolome analysis based on chromatography-mass   spectrometry

Trends in Analytical Chemistry

2021

143，116375（1-17）

Lina Zhou，Di Yu，Sijia Zheng，Runze Ouyang，Yuting Wang，Guowang Xu

Guowang Xu

5

Low-dose PCB126 exposure disrupts cardiac metabolism and causes   hypertrophy and fibrosis in mice

Environmental Pollution

2021

290，118079（1-11）

Can Wang，Ruina Cui，Congying Niu，Xiali Zhong，Qicheng Zhu，Di Ji，Xianjie Li， Hongxia   Zhang，Chunqiao Liu，Lina Zhou，Yanli Li，Guowang Xu，Yanhong Wei

Yanhong Wei

6

Exercise prevents NAFLD by modifying the compensatory response of   mitochondrial metabolism to excess substrate availability

Molecular Metabolism

2021

54，101359（1-17）

Miriam Hoene, Lisa Kappler, Laxmikanth Kollipara, Chunxiu Hu, Martin   Irmler, Daniel Bleher, Christoph Hoffmann, Johannes Beckers, Martin Hrabě de   Angelis, Hans-Ulrich Häring, Andreas Birkenfeld, Andreas Peter, Albert   Sickmann, Guowang Xu, Rainer Lehmann, Cora Weigert

Cora Weigert

7

Lipid Profiling of 20 Mammalian Cells by Capillary Microsampling   Combined with High-Resolution Spectral Stitching Nanoelectrospray Ionization   Direct-Infusion Mass Spectrometry

Analytical Chemistry

2021

93，29，10031−10038

Tianrun Xu， Hang   Li，Disheng Feng，Peng Dou， Xianzhe Shi， Chunxiu Hu， Guowang Xu

Chunxiu Hu，Guowang Xu

8

Strategy for Nontargeted Metabolomic Annotation and Quantitation Using   a High-Resolution Spectral-Stitching Nanoelectrospray Direct-Infusion Mass Spectrometry   with Data-Independent Acquisition

Analytical Chemistry

2021

93，30，10528–10537

Lichao Wang，Wangjie Lv， Xiaoshan Sun，Fujian Zheng，Tianrun Xu，Xinyu Liu，Hang Li， Xin Lu， Xiaojun Peng，Chunxiu Hu，Guowang Xu

Chunxiu Hu，Guowang Xu

9

Systematic, Modifying Group-Assisted Strategy Expanding Coverage of   Metabolite Annotation in Liquid Chromatography-Mass Spectrometry-Based   Nontargeted Metabolomics Studies

Analytical Chemistry

2021

93，31，10916-10924

Sijia Zheng， Xiuqiong   Zhang，Zaifang Li，Miriam Hoene，Louise Fritsche，Fujian Zheng，Qi Li， Andreas Fritsche，Andreas Peter， Rainer Lehmann ，Xinjie Zhao，Guowang Xu

Rainer Lehmann ，Xinjie Zhao，Guowang Xu

10

Facile Synthesis of Antibody-Coupled Polydopamine-Coated Magnetic   Graphene Oxide Composites for Efficient Immunopurification and Metabolomics   Analysis of Mitochondria

Analytical Chemistry

2021

93，32，11099–11107

Mengmeng Chang，Qingqing   Wang，Xinyu Liu， Xianzhe Shi，Guowang Xu

Xinyu Liu， Xianzhe Shi，Guowang Xu

11

Novel Stable Isotope-Resolved Metabolomics Method for a Small Number of   Cells Using Chip-Based Nanoelectrospray Mass Spectrometry

Analytical Chemistry

2021

93，41，13765-13773

Di Yu， Fujian Zheng，Lichao Wang，Chao Li，Xin Lu，Xiaohui Lin，Lina Zhou， Guowang Xu

Lina Zhou，Guowang Xu

12

Deep Neural Network Pretrained by Weighted Autoencoders and Transfer Learning   for Retention Time Prediction of Small Molecules

Analytical Chemistry

2021

93，47，15651-15658

Ran Ju，Xinyu Liu，Fujian Zheng，Xin Lu ，Guowang Xu， Xiaohui Lin

Xiaohui Lin

13

Plasma Metabolomics for Discovery of Early Metabolic Markers of Prostate   Cancer Based on Ultra-High-Performance Liquid Chromatography-High Resolution   Mass Spectrometry

Cancers

2021

13，3140（1-16）

Xiangping Lin，Lucie   Lécuyer，Xinyu Liu，Mohamed N Triba，Mélanie Deschasaux-Tanguy， Aïcha Demidem， Zhicheng Liu ，Tony Palama， Adrien Rossary，Marie-Paule Vasson ， Serge Hercberg， Pilar Galan，Philippe Savarin ，Guowang Xu， Mathilde Touvier

Mélanie Deschasaux-Tanguy，Philippe   Savarin

14

Characterization of nitrogen-containing compounds in petroleum   fractions by online reversed-phase liquid chromatography-electrospray   ionization Orbitrap mass spectrometry

Fuel

2021

284，119035（1-8）

Yueyi Xia，Chenfei Ma， Ran Ju，Chunxia Zhao，Fujian Zheng， Xiaoshan Sun，Zaifang Li，Chunyan Wang，Dejun Shi， Xiaohui Lin，Xin Lu， Guowang Xu

Xin Lu，Guowang Xu

15

Serum Metabolic Profiling Identifies a Biomarker Panel for Improvement   of Prostate Cancer Diagnosis

Frontiers in Oncology

2021

11，666320（1-9）

Huan Xu，Junyi Chen，Jingyi He ，Jin Ji，Zhi Cao ，Xi Chen，Yalong Xu，Xing He，Guowang Xu，Lina Zhou，Xuedong Wei，Jianquan Hou，Zhong Wang，Bo Yang ，Fubo Wang

Fubo Wang

16

Development of a novel analytical method for inflammation and   immunity-related metabolites in serum based on liquid chromatography tandem mass   spectrometry

Talanta

2021

234，122631（1-11）

Xin Lu，Peng Dou，Xiaoyu Xie，Xiaolin Wang，Xinyu Liu， Rui Hua， Guowang Xu

Rui Hua， Guowang Xu

17

How to Screen and Prevent Metabolic Syndrome in Patients of PCOS Early:   Implications From Metabolomics

Frontiers in Endocrinology

2021

12，659268（1-19）

Xiaoxuan Zhao，Xiaoling   Feng，Xinjie Zhao，Yuepeng Jiang，Xianna Li，Jingyun Niu，Xiaoyu Meng，Jing Wu，Guowang Xu，Lihui Hou，Ying Wang

Ying Wang

18

Alteration of lipids and amino acids in plasma distinguish schizophrenia   patients from controls: A targeted metabolomics study

Psychiatry and Clinical Neurosciences

2021

75，4，138–144

Yiyun Liu，Xuemian Song，Xinyu Liu，Juncai Pu，Siwen Gui，Shaohua Xu，Lu Tian，Xiaogang Zhong ，Libo Zhao， Haiyang Wang，Lanxiang Liu，Guowang Xu，Peng Xie

Guowang Xu，Peng Xie

19

Association of plasma branched-chain amino acids with overweight: A   Mendelian randomization analysis

Obesity

2021

29，10，1708-1718

Lei Liu， Xiaolin Wang，Yang Liu， Xinjie Zhao，Zhiyong Xu ，Yanan Ma ，Guowang Xu，Deliang Wen

Xinjie Zhao，Deliang Wen

20

Recent development of nanoparticle-assisted metabolites analysis with   mass spectrometry

Journal of Chromatography A

2021

1636，461785（1-10）

Hua Li，Ting Li，Xianzhe Shi，Guowang Xu

Xianzhe Shi，Guowang Xu

21

A high throughput lipidomics method and its application in atrial   fibrillation based on 96-well plate pretreatment and liquid   chromatography-mass spectrometry

Journal of Chromatography A

2021

1651，462271（1-8）

Yuqing Zhang，Yunpeng Xie，Wangjie Lv，Chunxiu Hu， Tianrun Xu，Xinyu Liu， Rongfeng Zhang，Guowang Xu，Yunlong Xia，Xinjie Zhao

Yunlong Xia，Xinjie Zhao

22

Metabolite Triplet in Serum Improves the Diagnostic Accuracy of   Prediabetes and Diabetes Screening

Journal of proteome research

2021

20，1，1005-1014

Lichao Wang，Yinan Zhang，Xinyu Liu，Xinjie Zhao，Yang Ouyang， Gaokun Qiu，Wangjie Lv，Fujian Zheng，QingQing Wang，Xin Lu，Xiaojun Peng，Tangchun Wu，Rainer Lehmann，Congrong   Wang，Weiping Jia，Guowang Xu

Congrong Wang，Weiping Jia，Guowang Xu

23

Prognosis prediction of hepatocellular carcinoma after surgical   resection based on serum metabolic profiling from gas chromatography-mass   spectrometry

Analytical and Bioanalytical Chemistry

2021

413，12，3153–3165

Chengnan Fang，Benzhe Su，Tianyi Jiang，Chao Li，Yexiong Tan，Qingqing Wang，Liwei Dong，Xinyu Liu， Xiaohui Lin， Guowang Xu

Liwei Dong，Xinyu Liu， Xiaohui Lin

24

Serum lipid profiling analysis and potential marker discovery for   ovarian cancer based on liquid chromatography-Mass spectrometry

Journal of Pharmaceutical and Biomedical Analysis

2021

199，114048（1-8）

Yuting Wang，Yisheng Wang，Chen Chen，Fang Ren，Rui Cao，Yuefei Wang，Pin Han，Xiaoyan Zhang ，Congjian Xu， Xinyu Liu， Guowang Xu

Congjian Xu，Xinyu Liu

25

Comparison of the metabolome in urine prior and eight weeks after radical   prostatectomy uncovers pathologic and molecular features of prostate cancer

Journal of Pharmaceutical and Biomedical Analysis

2021

205，114288（1-7）

Simon Walz， Qingqing   Wang，Xinjie Zhao，Miriam Hoene ，Hans-Ulrich Häring，Jörg   Hennenlotter，Moritz Maas ，Andreas Peter， Tilman Todenhöfer，Arnulf   Stenzl，Xinyu Liu，Rainer Lehmann，Guowang Xu

Rainer Lehmann，Guowang Xu

26

Metabolome-Genome-Wide Association Study (mGWAS) Reveals Novel   Metabolites Associated with Future Type 2 Diabetes Risk and Susceptibility   Loci in a Case-Control Study in a Chinese Prospective Cohort

Global Challenges

2021

5，2000088（1-9）

Yang Ouyang，Gaokun Qiu，Xinjie Zhao，Benzhe Su，Disheng Feng，Wangjie Lv，Qiuhui Xuan，Lichao Wang，Di Yu，Qingqing Wang，Xiaohui Lin，Tangchun Wu，Guowang Xu

Tangchun Wu，Guowang Xu

27

Proline metabolism in cancer

Amino Acids

2021

53，12，1769–1777

Pengyu Geng，Wangshu Qin，Guowang Xu

Guowang Xu

28

分子印迹聚合物在极性农药残留检测中的应用进展

色谱

2021

39，9，930-940

李婷，常蒙蒙，石先哲，许国旺

石先哲

29

基于液相色谱-质谱代谢组学方法研究中药定喘汤对呼吸道合胞病毒感染的疗效

色谱

2021

39，3，281-290

欧阳瑒，迟磊，徐超，赵欣捷，崔振泽

赵欣捷， 崔振泽

30

基于高分辨质谱的代谢组学分析技术研究进展

质谱学报

2021

42，5，787-803

孙晓珊，路鑫，许国旺

路鑫

31

基于代谢组学探索多囊卵巢综合征合并非酒精性脂肪性肝病的病因学研究

中国妇幼保健

2021

36，11，2473-2478

张晗，侯丽辉，张春兰，赵欣捷，许国旺，刘颖华

侯丽辉