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Advances in genotypic antimicrobialresistance testing: a comprehensive review

Science China Life Sciences 2025年第01期 130-143页

作者： Boheng Duan Xianjun Zeng Junping Peng Huan Kui College of Nanchang University Department of Imaging The Second Affiliated Hospital of Nanchang University NHC Key laboratory of Systems Biology of Pathogens National Institute of Pathogen BiologyChinese Academy of Medical Sciences & Peking Union Medical College Key laboratory of Respiratory Disease Pathogenomics Chinese Academy of Medical Sciences & Peking Union Medical College Key laboratory of Pathogen Infection Prevention and Control (Ministry of Education) State Key Laboratory of Respiratory Health and MultimorbidityNational Institute of Pathogen BiologyChinese Academy of Medical Sciences & Peking Union Medical College

Antimicrobial resistance(AMR) represents a substantial threat to global public health, complicating the treatment of common infections and leading to prolonged illness and escalated healthcare expenses. To effectively combat AMR, timely and accurate detection is crucial for AMR surveillance and individual-based therapy. Phenotypic antibiotic resistance testing(AST) has long been considered the gold standard in clinical applications, serving as the foundation for clinical AMR diagnosis and optimized therapy. It has significantly contributed to ensuring patients′ health and the development of novel antimicrobials. Despite advancements in automated culture-based AST technologies,inherent limitations impede the widespread use of phenotypic AST in AMR surveillance. Genotypic AST technologies offer a promising alternative option, exhibiting advantages of rapidity, high sensitivity, and specificity. With the continuous advancement and expanding applications of genotypic AST technologies, such as microfluidics, mass spectrometry, and high-resolution melting curve analysis, new vigor has been injected into the development and clinical implementation of genotypic AST technologies. In this narrative review, we discuss the principles, applications, and advancements of emerging genotypic AST methods in clinical settings. The comprehensive review aims to highlight the significant scientific potential of emerging genotypic AST technologies in clinical AMR diagnosis, providing insights to enhance existing methods and explore novel approaches.

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Mechanism of Incompatible Herb Pairs, Panax ginseng and Veratrum nigrum L,： Material Basis and Metabolic Profiles of Ginsenosides in Rat Intestinal Bacteria

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Chinese Journal of Chemistry 2015年第9期33卷 1069-1076页

作者： Xiudong Yang Xue Li Ying Xu Zifeng Pi Na Lin Zhiqiang Liu Fengrui Song National Center of mass spectrometry in Changchun & Jilin Province Key Laboratory of Chinese MedicineChemistry and Mass Spectrometry Changchun Institute of Applied Chemistry Chinese Academy of Sciences Changchun Jilin 130022 China Institute of Chinese Materia Medica China Academy of Chinese Medical Sciences Beijing 100700 China

In traditional Chinese medicine theory, Panax ginseng and Veratrum nigrum L. is an important incompatible herb pair. Studies on the content variation of main components and the influences on the metabolism in rat intestinal bacteria are useful to understand the mechanism of incompatibility of this herb pairs. In this study, the content variation of ginsenosides and their metaboltic profiles in the extracts of P. ginseng and compatibility of P. ginseng with V. nigrum L. （G-V） were investigated using relative quantitative method of electrospray ionization mass spec- trometry （ESI-MS） and UPLC-MSn, respectively. The relative contents of most ginsenosides were reduced in the extract of G-V. Furthermore, ginsenosides Rbt, Rb2, Rc and Rd could be metabolized to Rd, F2 and C-K in rat in- testinal bacteria. The metabolic speeds ofRbl, Rb2 and Re in the G-V extracts at ratios of 10 ： 5, 10 ： 7 and 10 ： 10 and the metabolic rates of ginsenosides Rbb Rb2 and Rc to Rd, Rd to F2 in all compatibility extracts were lower than that in the P ginseng extract. In conclusion, this study illustrated the mechanism of effect-reducing by comparison of the relative contents and metabolic profiles of ginsenosides after compatibility of P ginseng and V. nigrum L.

关键词： Panax ginseng Veratrum nigrum L. rat intestinal bacteria incompatibility UPLC-MS

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A reinvestigation of low molecular weight components in SOA produced by cyclohexene ozonolysis

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Nuclear Science and Techniques 2018年第11期29卷 238-246页

作者： Jun Chen Zhao-Hui Li Ye-Peng Yu Xuan Lin Hang Zhang Yan-Bo Li Huan-Huan Wang Rui-Rui Sun Qing-Hui Meng Chao-Qun Huang Xiao-Bin Shan Fu-Yi Liu Chang-Jin Hu Wei-Jun Zhang Liu-Si Sheng National Synchrotron Radiation laboratory School of Nuclear Science and TechnologyUniversity of Science and Technology of China laboratory medical optical and mass spectrometry Center of Medical Physics and TechnologyHefei Institutes of Physical ScienceChinese Academy of Sciences laboratory of Atmospheric Physico-Chemistry Anhui Institute of Optics and Fine MechanicsChinese Academy of Sciences School of Environmental Science and Optoelectronic Technology University of Science and Technology of China

The ozonolysis of cyclohexene is an important model system for understanding the more complex reaction of O_3 with monoterpenes; however, many previous studies have come to qualitatively different conclusions about the composition of the secondary organic aerosol(SOA)formed in this system. In the present study, the composition of the SOA produced by cyclohexene ozonolysis in the absence of seed aerosols has been investigated online and off-line using synchrotron-based thermal desorption/tunable vacuum ultraviolet photoionization time-of-flight aerosol mass spectrometry(TD-VUV-TOF-PIAMS) in conjunction with a custom-built smog chamber. On the basis of the molecular ions observed by mass spectrometry at 11.5 e V, it was found that dicarboxylic acids, dialdehydes, and cyclic anhydrides are the predominant low molecular weight components in the particle phase. The results also indicated that TD-VUV-TOF-PIAMS coupled with filter sampling is a potentially useful tool for the investigation of SOA composition both in the field and in the laboratory.

关键词： Cyclohexene Ozonolysis SOA Smog chamber Aerosol mass spectrometry

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Direct and rapid detection of serum amino acid and monoamine neurotransmitters to assist the diagnosis of panic disorder

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Science China Chemistry 2025年第01期 377-384页

作者： Shiwen Liu Xuerui Wan Meng Zhao Jiaqi Wang Weilan Wu Linlin You Yonggui Yuan Qian Xu Rong Gao Key laboratory of Environmental Medicine Engineering Ministry of Education School of Public Health Southeast University Key laboratory of Modern Toxicology of Ministry of Education Department of Hygienic Analysis and Detection School of Public HealthNanjing Medical University Department of Psychosomatics and Psychiatry Zhongda Hospital School of Medicine Southeast University

The measurement of amino acid and monoamine neurotransmitters（NTs） in serum plays a central role in the identification and monitoring of clinical panic disorder（PD）. However, the strong polarity and chemical heterogeneity of NTs make direct extraction and rapid detection extremely challenging. Herein, we developed a strategy that integrated solid phase extraction based on magnetic Fe3O4coated with polydopamine（Fe3O4@PDA） and direct analysis of mass spectrometry in real time（DART-MS） for quantification of 10 NTs. We systematically investigated the optimal conditions of this strategy to achieve good accuracy and precision. Compared with existing magnetic solid phase extraction methods for NTs detection in biological samples, this strategy could adsorb more targets while having similar adsorption efficiencies, and the total process time was reduced by an average of 69.42%. We rapidly determined the metabolic abnormality of 6 types of NTs in the serum of PD patients and demonstrated their diagnostic accuracy. In addition, an outstanding feature of PD in which tryptophan was more metabolized by the KYN pathway and the 5-hydroxytryptamine pathway was inhibited could be elucidated by this strategy. Our results highlighted the potential ability of Fe3O4@PDA coupled with DART-MS to assist in the clinical diagnosis of PD.

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Rapid authentication of different herbal medicines by heating online extraction electrospray ionization mass spectrometry

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Journal of Pharmaceutical Analysis 2023年第3期13卷 296-304页

作者： Zidong Qiu Chaofa Wei Xiang Li Changjiangsheng Lai Zhilai Zhan Yan Jin Li Zhou Qingxiu Hao Jian Yang Shuanglong Wang Liping Kang Luqi Huang State Key laboratory of Dao-di Herbs National Resource Centre for Chinese Materia MedicaChina Academy of Chinese Medical SciencesBeijing100700China Jiangxi Key laboratory for mass spectrometry and Instrumentation College of ChemistryBiology and Material SciencesEast China Institute of TechnologyNanchang330013China

The rapid and accurate authentication of traditional Chinese medicines(TCMs)has always been a key scientific and technical problem in the field of pharmaceutical ***,a novel heating online extraction electrospray ionization mass spectrometry(H-oEESI-MS)was developed for the rapid and direct analysis of extremely complex substances without the requirement for any sample pretreatment or pre-separation *** overall molecular profile and fragment structure features of various herbal medicines could be completely captured within 10–15 s,with minimal sample(0.87,R^(2)Y>0.91,and Q^(2)>0.72),which further verified the feasibility and reliability of this comprehensive strategy for the rapid authentication of different TCMs based on *** summary,this rapid authentication strategy realized the ultra-high-throughput,low-cost,and standardized detection of various complex TCMs for the first time,thereby demonstrating wide applicability and value for the development of quality standards for TCMs.

关键词： Heating online extraction electrospray ionization mass spectrometry Rapid authentication Traditional Chinese medicine

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Rapid toxicity characterization of Aconitum herbal medicines using perfusion nano-electrospray ionization mass spectrometry

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Journal of Pharmaceutical Analysis 2024年第9期14卷 1393-1395页

作者： Chaofa Wei Liping Kang Yaqiu Zhao Li Zhou Xiang Li Shuanglong Wang Luqi Huang Zidong Qiu State Key laboratory for Quality Ensurance and Sustainable Use of Dao-di Herbs National Resource Centre for Chinese Materia MedicaChina Academy of Chinese Medical SciencesBeijing100700China Jiangxi Key laboratory for mass spectrometry and Instrumentation East China University of TechnologyNanchang330013China

Accurate analysis of the key substances in traditional Chinese medicines(TCMs)is the prerequisite and foundation for the quality evaluation and pharmacological substance research of TCMs[1].However,the extremely complex characteristics of medicinal origins,preparation processes and chemical compositions make it difficult to accurately analyze TCMs in complex multi-scenarios[2].

关键词： TCM foundation medicines

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Rapid Purification and Identification of Osteopontin from Human Milk by HPLC Coupled to FT-ICR-MS

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Chemical Research in Chinese Universities 2010年第1期26卷 17-22页

作者： SHI Lei YANG Tie-zheng ZUBAREV A. Roman College of Public Health Jilin University Changchun 130021 P. R. China Affiliated Hospital of Changchun University of Chinese Medicine Changchun 130021 P. R. China laboratory for Biological and medical mass spectrometry BMC Uppsala University Box 583 75123 Uppsala Sweden

Milk as a key element for infant nutrition represents the only source of feeding for newborns and infants, breast-feeding milk normally contains several bioactive proteins or peptides useful for the development of the immune system that protects infants from diseases. Osteopontin（OPN） plays a distinct role during the processes of lactation, Some studies on OPN isolated and purified from the human milk via HPLC on SCX and Ca columns adopted biological mass spectrometry. After digesting the purified OPN sample with trypsin, the typical correlative polypeptide fragments GDSVVYGLR and QNLLAPQTLPSK are identified by FT-ICR-MS. The rapid identification of OPN is assumed to be reasonably well behaving in a standard bottom-up experiment. It shows that nano-spray HPLC combined with FT-ICR-MS and Mascot search can be used as a high efficient method for the identification of purified OPN and its polypeptide fragments. Further study will provide more academic theories of their different modifications and the bioactivity as well.

关键词： Osteopontin(OPN) FT-ICR-MS Purification Identification

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Using MALDI-TOF MS coupled with a high-mass detector to directly analyze intact proteins in thyroid tissues

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Science China Chemistry 2018年第7期61卷 871-878页

作者： Shan-Shan Wang Yun-Jun Wang Jing Zhang Jun Xiang Tuan-Qi Sun Yin-Long Guo State Key laboratory of Organometallic Chemistry and National Center for Organic mass spectrometry in Shanghai Center for Excellence in Molecular Synthesis Shanghai Institute of Organic Chemistry University of Chinese Academy of Sciences Chinese Academy of Sciences Department of Head and Neck Surgery Fudan University Shanghai Cancer Center Department of Oncology Shanghai Medical College Fudan University

Protein analysis is vital for biological and clinical research, but the measurement of unseparated, intact and high-mass proteins is also a challenging task by mass spectrometry-based methods. Here, we present a protocol for rapid and high-throughput analysis of intact proteins in tissue samples using matrix-assisted laser desorption/ionization time-of-flight mass spectrometry（MALDITOF MS） combined with a high-mass detector platform. The method involves tissue specimens that undergo a simple protein extraction before MALDI-MS analysis. Using this method, the high abundance proteins in human thyroid carcinoma and paracarcinoma tissues were successfully investigated, and the mass spectra of the tissues of the 30 illustrated thyroid cancers showed remarkable differences. The peak intensity revealed a significant increase in human albumin in thyroid carcinoma tissues（p＆lt;0.05）. To validate the feasibility and credibility of this method, label-free proteomics quantitative analysis and Western blotting were used to relatively quantify the proteins in these tissues. Those results demonstrated a nearly 3-fold difference in human albumin levels between thyroid carcinoma and para-carcinoma tissues, which were consistent with the results of our method. The advantages of our method are easy sample handling, remarkable reproducibility and the ability to analyze high-mass proteins without digestion, which make them have the potential to be used in biological research and in clinical practice.

关键词： matrix-assisted laser desorption ionization time of flight mass spectrometry intact proteins analysis thyroid carcinoma high-mass detector

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Spatiotemporally resolved metabolomics and isotope tracing reveal CNS drug targets

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Acta Pharmaceutica Sinica B 2023年第4期13卷 1699-1710页

作者： Bo Jin Xuechao Pang Qingce Zang Man Ga Jing Xu Zhigang Luo Ruiping Zhang Jiangong Shi Jiuming He Zeper Abliz State Key laboratory of Bioactive Substance and Function of Natural Medicines Institute of Materia MedicaChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijing 100050China NMPA Key laboratory for Safety Research and Evaluation of Innovative Drug Beijing 100050China Key laboratory of mass spectrometry Imaging and Metabolomics(Minzu University of China) National Ethnic Affairs CommissionBeijing 100081China Key laboratory of Ethnomedicine of Ministry of Education School of PharmacyMinzu University of ChinaBeijing 100081China

Deconvolution of potential drug targets of the central nervous system(CNS)is particularly challenging because of the complicated structure and function of the ***,a spatiotemporally resolved metabolomics and isotope tracing strategy was proposed and demonstrated to be powerful for deconvoluting and localizing potential targets of CNS drugs by using ambient mass spectrometry *** strategy can map various substances including exogenous drugs,isotopically labeled metabolites,and various types of endogenous metabolites in the brain tissue sections to illustrate their microregional distribution pattern in the brain and locate drug action-related metabolic nodes and *** strategy revealed that the sedative-hypnotic drug candidate YZG-331 was prominently distributed in the pineal gland and entered the thalamus and hypothalamus in relatively small amounts,and can increase glutamate decarboxylase activity to elevateγ-aminobutyric acid(GABA)levels in the hypothalamus,agonize organic cation transporter 3 to release extracellular histamine into peripheral *** findings emphasize the promising capability of spatiotemporally resolved metabolomics and isotope tracing to help elucidate the multiple targets and the mechanisms of action of CNS drugs.

关键词： Ambient mass spectrometry imaging Spatiotemporally resolved metabolomics Isotope tracing Drug targets Central nervous system Drug candidate

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Spatiotemporal pharmacometabolomics based on ambient mass spectrometry imaging to evaluate the metabolism and hepatotoxicity of amiodarone in HepG2 spheroids

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Journal of Pharmaceutical Analysis 2023年第5期13卷 483-493页

作者： Limei Li Qingce Zang Xinzhu Li Ying Zhu Shanjing Wen Jiuming He Ruiping Zhang Zeper Abliz State Key laboratory of Bioactive Substance and Function of Natural Medicines Institute of Materia MedicaChinese Academy of Medical Sciences and Peking Union Medical CollegeBeijing100050China Key laboratory of mass spectrometry Imaging and Metabolomics(Minzu University of China) National Ethnic Affairs CommissionBeijing100081China Center for Imaging and Systems Biology College of Life and Environmental SciencesMinzu University of ChinaBeijing100081China

Three-dimensional(3D)cell spheroid models combined with mass spectrometry imaging(MSI)enables innovative investigation of in vivo-like biological processes under different physiological and pathological ***,airflow-assisted desorption electrospray ionization-MSI(AFADESI-MSI)was coupled with 3D HepG2 spheroids to assess the metabolism and hepatotoxicity of amiodarone(AMI).High-coverage imaging of>1100 endogenous metabolites in hepatocyte spheroids was achieved using *** AMI treatment at different times,15 metabolites of AMI involved in Ndesethylation,hydroxylation,deiodination,and desaturation metabolic reactions were identified,and according to their spatiotemporal dynamics features,the metabolic pathways of AMI were ***,the temporal and spatial changes in metabolic disturbance within spheroids caused by drug exposure were obtained via metabolomic *** main dysregulated metabolic pathways included arachidonic acid and glycerophospholipid metabolism,providing considerable evidence for the mechanism of AMI *** addition,a biomarker group of eight fatty acids was selected that provided improved indication of cell viability and could characterize the hepatotoxicity of *** combination of AFADESI-MSI and HepG2 spheroids can simultaneously obtain spatiotemporal information for drugs,drug metabolites,and endogenous metabolites after AMI treatment,providing an effective tool for in vitro drug hepatotoxicity evaluation.

关键词： mass spectrometry imaging HepG2 spheroids Hepatotoxicity Drug metabolism Amiodarone

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