De-Wei An, Yu-Ling Yu, Dries S. Martens, Agnieszka Latosinska, Zhen-Yu Zhang, Harald Mischak, Tim S. Nawrot, Jan A. Staessen
{"title":"Statistical approaches applicable in managing OMICS data: Urinary proteomics as exemplary case","authors":"De-Wei An, Yu-Ling Yu, Dries S. Martens, Agnieszka Latosinska, Zhen-Yu Zhang, Harald Mischak, Tim S. Nawrot, Jan A. Staessen","doi":"10.1002/mas.21849","DOIUrl":"10.1002/mas.21849","url":null,"abstract":"<p>With urinary proteomics profiling (UPP) as exemplary omics technology, this review describes a workflow for the analysis of omics data in large study populations. The proposed workflow includes: (i) planning omics studies and sample size considerations; (ii) preparing the data for analysis; (iii) preprocessing the UPP data; (iv) the basic statistical steps required for data curation; (v) the selection of covariables; (vi) relating continuously distributed or categorical outcomes to a series of single markers (e.g., sequenced urinary peptide fragments identifying the parental proteins); (vii) showing the added diagnostic or prognostic value of the UPP markers over and beyond classical risk factors, and (viii) pathway analysis to identify targets for personalized intervention in disease prevention or treatment. Additionally, two short sections respectively address multiomics studies and machine learning. In conclusion, the analysis of adverse health outcomes in relation to omics biomarkers rests on the same statistical principle as any other data collected in large population or patient cohorts. The large number of biomarkers, which have to be considered simultaneously requires planning ahead how the study database will be structured and curated, imported in statistical software packages, analysis results will be triaged for clinical relevance, and presented.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"43 6","pages":"1237-1254"},"PeriodicalIF":6.9,"publicationDate":"2023-05-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/mas.21849","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9466843","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Effects of charge on protein ion structure: Lessons from cation-to-anion, proton-transfer reactions","authors":"Theresa A. Gozzo, Matthew F. Bush","doi":"10.1002/mas.21847","DOIUrl":"10.1002/mas.21847","url":null,"abstract":"<p>Collision cross-section values, which can be determined using ion mobility experiments, are sensitive to the structures of protein ions and useful for applications to structural biology and biophysics. Protein ions with different charge states can exhibit very different collision cross-section values, but a comprehensive understanding of this relationship remains elusive. Here, we review cation-to-anion, proton-transfer reactions (CAPTR), a method for generating a series of charge-reduced protein cations by reacting quadrupole-selected cations with even-electron monoanions. The resulting CAPTR products are analyzed using a combination of ion mobility, mass spectrometry, and collisional activation. We compare CAPTR to other charge-manipulation strategies and review the results of various CAPTR-based experiments, exploring their contribution to a deeper understanding of the relationship between protein ion structure and charge state.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"43 3","pages":"500-525"},"PeriodicalIF":6.6,"publicationDate":"2023-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9394055","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Mass spectrometric approaches in discovering lipid biomarkers for COVID-19 by lipidomics: Future challenges and perspectives","authors":"Siddabasave Gowda B. Gowda, Chandra Shekhar, Divyavani Gowda, Yifan Chen, Hitoshi Chiba, Shu-Ping Hui","doi":"10.1002/mas.21848","DOIUrl":"10.1002/mas.21848","url":null,"abstract":"<p>Coronavirus disease 2019 (COVID-19) has emerged as a global health threat and has rapidly spread worldwide. Significant changes in the lipid profile before and after COVID-19 confirmed the significance of lipid metabolism in regulating the response to viral infection. Therefore, understanding the role of lipid metabolism may facilitate the development of new therapeutics for COVID-19. Owing to their high sensitivity and accuracy, mass spectrometry (MS)-based methods are widely used for rapidly identifying and quantifying of thousands of lipid species present in a small amount of sample. To enhance the capabilities of MS for the qualitative and quantitative analysis of lipids, different platforms have been combined to cover a wide range of lipidomes with high sensitivity, specificity, and accuracy. Currently, MS-based technologies are being established as efficient methods for discovering potential diagnostic biomarkers for COVID-19 and related diseases. As the lipidome of the host cell is drastically affected by the viral replication process, investigating lipid profile alterations in patients with COVID-19 and targeting lipid metabolism pathways are considered to be crucial steps in host-directed drug targeting to develop better therapeutic strategies. This review summarizes various MS-based strategies that have been developed for lipidomic analyzes and biomarker discoveries to combat COVID-19 by integrating various other potential approaches using different human samples. Furthermore, this review discusses the challenges in using MS technologies and future perspectives in terms of drug discovery and diagnosis of COVID-19.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"43 5","pages":"1041-1065"},"PeriodicalIF":6.9,"publicationDate":"2023-04-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9423503","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Chrys Wesdemiotis, Kayla N. Williams-Pavlantos, Addie R. Keating, Andrew S. McGee, Calum Bochenek
{"title":"Mass spectrometry of polymers: A tutorial review","authors":"Chrys Wesdemiotis, Kayla N. Williams-Pavlantos, Addie R. Keating, Andrew S. McGee, Calum Bochenek","doi":"10.1002/mas.21844","DOIUrl":"10.1002/mas.21844","url":null,"abstract":"<p>Ever since the inception of synthetic polymeric materials in the late 19th century, the number of studies on polymers as well as the complexity of their structures have only increased. The development and commercialization of new polymers with properties fine-tuned for specific technological, environmental, consumer, or biomedical applications requires powerful analytical techniques that permit the in-depth characterization of these materials. One such method with the ability to provide chemical composition and structure information with high sensitivity, selectivity, specificity, and speed is mass spectrometry (MS). This tutorial review presents and exemplifies the various MS techniques available for the elucidation of specific structural features in a synthetic polymer, including compositional complexity, primary structure, architecture, topology, and surface properties. Key to every MS analysis is sample conversion to gas-phase ions. This review describes the fundamentals of the most suitable ionization methods for synthetic materials and provides relevant sample preparation protocols. Most importantly, structural characterizations via one-step as well as hyphenated or multidimensional approaches are introduced and demonstrated with specific applications, including surface sensitive and imaging techniques. The aim of this tutorial review is to illustrate the capabilities of MS for the characterization of large, complex polymers and emphasize its potential as a powerful compositional and structural elucidation tool in polymer chemistry.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"43 3","pages":"427-476"},"PeriodicalIF":6.6,"publicationDate":"2023-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/mas.21844","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9682165","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Irene Caño-Carrillo, Bienvenida Gilbert-López, Lidia Montero, Ana B. Martínez-Piernas, Juan F. García-Reyes, Antonio Molina-Díaz
{"title":"Comprehensive and heart-cutting multidimensional liquid chromatography–mass spectrometry and its applications in food analysis","authors":"Irene Caño-Carrillo, Bienvenida Gilbert-López, Lidia Montero, Ana B. Martínez-Piernas, Juan F. García-Reyes, Antonio Molina-Díaz","doi":"10.1002/mas.21845","DOIUrl":"10.1002/mas.21845","url":null,"abstract":"<p>In food analysis, conventional one-dimensional liquid chromatography methods sometimes lack sufficient separation power due to the complexity and heterogeneity of the analyzed matrices. Therefore, the use of two-dimensional liquid chromatography (2D-LC) turns out to be a powerful tool to consider, especially when coupled to mass spectrometry (MS). This review presents the most remarkable 2D-LC–MS food applications reported in the last 10 years, including a critical discussion of the multiple approaches, modulation strategies as well as the importance of the optimization of the different analytical aspects that will condition the 2D-LC–MS performance. The presence of contaminants in food (food safety), the food quality, and authenticity or the relationship between the beneficial effects of food and human health are some of the fields in which most of the 2D-LC–MS applications are mainly focused. Both heart-cutting and comprehensive applications are described and discussed in this review, highlighting the potential of 2D-LC–MS for the analysis of such complex samples.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"43 5","pages":"936-976"},"PeriodicalIF":6.9,"publicationDate":"2023-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/mas.21845","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9648484","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Proteomics mining of cancer hallmarks on a single-cell resolution","authors":"Maomao Li, Jing Zuo, Kailin Yang, Ping Wang, Shengtao Zhou","doi":"10.1002/mas.21842","DOIUrl":"10.1002/mas.21842","url":null,"abstract":"<p>Dysregulated proteome is an essential contributor in carcinogenesis. Protein fluctuations fuel the progression of malignant transformation, such as uncontrolled proliferation, metastasis, and chemo/radiotherapy resistance, which severely impair therapeutic effectiveness and cause disease recurrence and eventually mortality among cancer patients. Cellular heterogeneity is widely observed in cancer and numerous cell subtypes have been characterized that greatly influence cancer progression. Population-averaged research may not fully reveal the heterogeneity, leading to inaccurate conclusions. Thus, deep mining of the multiplex proteome at the single-cell resolution will provide new insights into cancer biology, to develop prognostic biomarkers and treatments. Considering the recent advances in single-cell proteomics, herein we review several novel technologies with particular focus on single-cell mass spectrometry analysis, and summarize their advantages and practical applications in the diagnosis and treatment for cancer. Technological development in single-cell proteomics will bring a paradigm shift in cancer detection, intervention, and therapy.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"43 5","pages":"1019-1040"},"PeriodicalIF":6.9,"publicationDate":"2023-04-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9659218","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Daniel C. Castro, Peter Chan-Andersen, Elena V. Romanova, Jonathan V. Sweedler
{"title":"Probe-based mass spectrometry approaches for single-cell and single-organelle measurements","authors":"Daniel C. Castro, Peter Chan-Andersen, Elena V. Romanova, Jonathan V. Sweedler","doi":"10.1002/mas.21841","DOIUrl":"10.1002/mas.21841","url":null,"abstract":"<p>Exploring the chemical content of individual cells not only reveals underlying cell-to-cell chemical heterogeneity but is also a key component in understanding how cells combine to form emergent properties of cellular networks and tissues. Recent technological advances in many analytical techniques including mass spectrometry (MS) have improved instrumental limits of detection and laser/ion probe dimensions, allowing the analysis of micron and submicron sized areas. In the case of MS, these improvements combined with MS's broad analyte detection capabilities have enabled the rise of single-cell and single-organelle chemical characterization. As the chemical coverage and throughput of single-cell measurements increase, more advanced statistical and data analysis methods have aided in data visualization and interpretation. This review focuses on secondary ion MS and matrix-assisted laser desorption/ionization MS approaches for single-cell and single-organelle characterization, which is followed by advances in mass spectral data visualization and analysis.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"43 4","pages":"888-912"},"PeriodicalIF":6.6,"publicationDate":"2023-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10545815/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9323501","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Irene Caño-Carrillo, Bienvenida Gilbert-López, Lidia Montero, Ana B Martínez-Piernas, Juan F García-Reyes, Antonio Molina-Díaz
{"title":"Comprehensive and heart-cutting multidimensional liquid chromatography-mass spectrometry and its applications in food analysis.","authors":"Irene Caño-Carrillo, Bienvenida Gilbert-López, Lidia Montero, Ana B Martínez-Piernas, Juan F García-Reyes, Antonio Molina-Díaz","doi":"10.1002/mas.21843","DOIUrl":"https://doi.org/10.1002/mas.21843","url":null,"abstract":"<p><p>In food analysis, conventional one-dimensional liquid chromatography methods sometimes lack sufficient separation power due to the complexity and heterogeneity of the analysed matrices. Therefore, the use of two-dimensional liquid chromatography (2D-LC) turns out to be a powerful tool to consider, especially when coupled to mass spectrometry (MS). This review presents the most remarkable 2D-LC-MS food applications reported in the last 10 years, including a critical discussion of the multiple approaches, modulation strategies as well as the importance of the optimisation of the different analytical aspects that will condition the 2D-LC-MS performance. The presence of contaminants in food (food safety), the food quality and authenticity or the relationship between the beneficial effects of food and human health are some of the fields in which most of the 2D-LC-MS applications are mainly focused. Both heart-cutting and comprehensive applications are described and discussed in this review, highlighting the potential of 2D-LC-MS for the analysis of such complex samples.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":" ","pages":""},"PeriodicalIF":6.6,"publicationDate":"2023-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9234502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Editorial from Dominic M. Desiderio","authors":"Dom Desiderio","doi":"10.1002/mas.21840","DOIUrl":"10.1002/mas.21840","url":null,"abstract":"I retired as an Editor of Mass Spectrometry Reviews. I signed my contract on November 1, 1993, and published my first editorial (Volume 13, Issue 1, 1994) when I joined Nico M. M. Nibbering as Co-Editor. These two editorials frame my 30-year tenure at the journal. This article is protected by copyright. All rights reserved.","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"42 5","pages":"1507"},"PeriodicalIF":6.6,"publicationDate":"2023-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"5688859","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Innovations in applications of mass spectrometry impact many fields of science","authors":"Catherine Fenselau","doi":"10.1002/mas.21839","DOIUrl":"10.1002/mas.21839","url":null,"abstract":"I am pleased and honored that Dan Fabris has organized this special issue of reviews that reflect many of my research interests. I have been a member of the Editorial Advisory Board of Mass Spectrometry Reviews since 1994 and I regard reviews as an important component of the scientific method. Well done, they collect and integrate knowledge in a particular field and construct a factual foundation that directs and supports the next research frontier. This article is protected by copyright. All rights reserved.","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"43 1","pages":"3-4"},"PeriodicalIF":6.6,"publicationDate":"2023-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9996610","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}