Rafael Stroggilos, Aggeliki Tserga, Jerome Zoidakis, Antonia Vlahou, Manousos Makridakis
{"title":"Tissue proteomics repositories for data reanalysis","authors":"Rafael Stroggilos, Aggeliki Tserga, Jerome Zoidakis, Antonia Vlahou, Manousos Makridakis","doi":"10.1002/mas.21860","DOIUrl":"10.1002/mas.21860","url":null,"abstract":"<p>We are approaching the third decade since the establishment of the very first proteomics repositories back in the mid-'00s. New experimental approaches and technologies continuously enrich the field while producing vast amounts of mass spectrometry data. Together with initiatives to establish standard terminology and file formats, proteomics is rapidly transforming into a mature component of systems biology. Here we describe the ProteomeXchange consortium repositories. We specifically search, collect and evaluate public human tissue datasets (categorized as “complete” by the repository) submitted in 2015–2022, to both map the existing information and assess the data set reusability. Human tissue data are variably represented in the repositories reviewed, ranging between 10% and 25% of the total data submitted, with cancers being the most represented, followed by neuronal and cardiovascular diseases. About half of the retrieved data sets were found to lack annotations or metadata necessary to directly replicate the analysis. This poses a rough challenge to data reusability and highlights the need to increase awareness of the mage-tab file format for metadata in the community. Overall, proteomics repositories have evolved greatly over the past 7 years, as they have grown in size and become equipped with various powerful applications and tools that enable data searching and analytical tasks. However, to make the most of this potential, priority must be given to finding ways to secure detailed metadata for each submission, which is likely the next major milestone for proteomics repositories.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"43 6","pages":"1270-1284"},"PeriodicalIF":6.6,"publicationDate":"2023-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/mas.21860","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9929896","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}
Anthony P Gies, David M Hercules, Arjun Raghuraman, Alex J Kosanovich, Matthew A Baker, Sukrit Mukhopadhyay, Ilia Kobylianskii, Manjiri Paradkar
{"title":"Microstructure characterization and mechanistic insight into polyether polyols and their associated polyurethanes.","authors":"Anthony P Gies, David M Hercules, Arjun Raghuraman, Alex J Kosanovich, Matthew A Baker, Sukrit Mukhopadhyay, Ilia Kobylianskii, Manjiri Paradkar","doi":"10.1002/mas.21862","DOIUrl":"https://doi.org/10.1002/mas.21862","url":null,"abstract":"<p><p>This article reviews the analytical tool chest used for characterizing alkoxylates and their associated copolymer mixtures. Specific emphasis will be placed upon the use of mass spectrometry-based techniques as rapid characterization tools for optimizing reaction processes in an industrial R&D setting. An initial tutorial will cover the use of matrix-assisted laser desorption/ionization-mass spectrometry and tandem mass spectrometry fragmentation for detailed component analysis (e.g., polyol and isocyanate) of a model polyurethane-based foam. Next, this critical feedback information will be used with the guidance of mass spectrometry to initiate the development of a new, more efficient, tris(pentafluorophenyl)borane (FAB) catalyst-based alkoxylation process for generating the next generation of glycerin-initiated poly(propylene oxide)-co-poly(ethylene oxide) copolymers. Examples will be provided for each step in the FAB-based optimization process that were required to generate the final product. Following this example, two-dimensional liquid chromatography, supercritical fluid chromatography, and ion mobility separations, along with their coupling to mass spectrometry, will be reviewed for their efficiency in characterizing and quantitating the components within these complex polyether polyol mixtures.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":" ","pages":""},"PeriodicalIF":6.6,"publicationDate":"2023-08-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9927030","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}
Eva M Del Amo, Kati-Sisko Vellonen, Arto Urtti, Tetsuya Terasaki, Anam Hammid, Paavo Honkakoski, Seppo Auriola
{"title":"Mass spectrometry in ocular drug research.","authors":"Eva M Del Amo, Kati-Sisko Vellonen, Arto Urtti, Tetsuya Terasaki, Anam Hammid, Paavo Honkakoski, Seppo Auriola","doi":"10.1002/mas.21861","DOIUrl":"https://doi.org/10.1002/mas.21861","url":null,"abstract":"<p><p>Mass spectrometry (MS) has been proven as an excellent tool in ocular drug research allowing analyzes from small samples and low concentrations. This review begins with a short introduction to eye physiology and ocular pharmacokinetics and the relevance of advancing ophthalmic treatments. The second part of the review consists of an introduction to ocular proteomics, with special emphasis on targeted absolute quantitation of membrane transporters and metabolizing enzymes. The third part of the review deals with liquid chromatography-MS (LC-MS) and MS imaging (MSI) methods used in the analysis of drugs and metabolites in ocular samples. The sensitivity and speed of LC-MS make simultaneous quantitation of various drugs and metabolites possible in minute tissue samples, even though ocular sample preparation requires careful handling. The MSI methodology is on the verge of becoming as important as LC-MS in ocular pharmacokinetic studies, since the spatial resolution has reached the level, where cell layers can be separated, and quantitation with isotope-labeled standards has come more reliable. MS will remain in the foreseeable future as the main analytical method that will progress our understanding of ocular pharmacokinetics.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":" ","pages":""},"PeriodicalIF":6.6,"publicationDate":"2023-08-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9975265","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}
Maria Khalikova, Jakub Jireš, Ondřej Horáček, Michal Douša, Radim Kučera, Lucie Nováková
{"title":"What is the role of current mass spectrometry in pharmaceutical analysis?","authors":"Maria Khalikova, Jakub Jireš, Ondřej Horáček, Michal Douša, Radim Kučera, Lucie Nováková","doi":"10.1002/mas.21858","DOIUrl":"10.1002/mas.21858","url":null,"abstract":"<p>The role of mass spectrometry (MS) has become more important in most application domains in recent years. Pharmaceutical analysis is specific due to its stringent regulation procedures, the need for good laboratory/manufacturing practices, and a large number of routine quality control analyses to be carried out. The role of MS is, therefore, very different throughout the whole drug development cycle. While it dominates within the drug discovery and development phase, in routine quality control, the role of MS is minor and indispensable only for selected applications. Moreover, its role is very different in the case of analysis of small molecule pharmaceuticals and biopharmaceuticals. Our review explains the role of current MS in the analysis of both small-molecule chemical drugs and biopharmaceuticals. Important features of MS-based technologies being implemented, method requirements, and related challenges are discussed. The differences in analytical procedures for small molecule pharmaceuticals and biopharmaceuticals are pointed out. While a single method or a small set of methods is usually sufficient for quality control in the case of small molecule pharmaceuticals and MS is often not indispensable, a large panel of methods including extensive use of MS must be used for quality control of biopharmaceuticals. Finally, expected development and future trends are outlined.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"43 3","pages":"560-609"},"PeriodicalIF":6.6,"publicationDate":"2023-07-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/mas.21858","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9884122","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":"A tutorial: Laserspray ionization and related laser-based ionization methods for use in mass spectrometry","authors":"Sarah Trimpin","doi":"10.1002/mas.21762","DOIUrl":"10.1002/mas.21762","url":null,"abstract":"<p>This <i>Tutorial</i> is to provide a summary of parameters useful for successful outcomes of laserspray ionization (LSI) and related methods that employ a laser to ablate a matrix:analyte sample to produce highly charged ions. In these methods the purpose of the laser is to transfer matrix-analyte clusters into the gas phase. Ions are hypothesized to be produced by a thermal process where emitted matrix:analyte gas-phase particles/clusters are charged and loss of matrix from the charged particles leads to release of the analyte ions into the gas phase. The thermal energy responsible for the charge-separation process is relatively low and not necessarily supplied by the laser; a heated inlet tube linking atmospheric pressure with the first vacuum stage of a mass spectrometer is sufficient. The inlet becomes the “ion source”, and <i>inter alia</i>, pressure, temperature, and the matrix, which can be a solid, liquid, or combinations, become critical parameters. Injecting matrix:analyte into a heated inlet tube using laser ablation, a shockwave, or simply tapping, all produce the similar mass spectra. Applications are provided that showcase new opportunities in the field of mass spectrometry.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"42 5","pages":"2234-2267"},"PeriodicalIF":6.6,"publicationDate":"2023-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"5701431","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":"Recent advances in mass spectrometry techniques for atmospheric chemistry research on molecular-level","authors":"Wen Zhang, Lu Xu, Haofei Zhang","doi":"10.1002/mas.21857","DOIUrl":"10.1002/mas.21857","url":null,"abstract":"<p>The Earth's atmosphere is composed of an enormous variety of chemical species associated with trace gases and aerosol particles whose composition and chemistry have critical impacts on the Earth's climate, air quality, and human health. Mass spectrometry analysis as a powerful and popular analytical technique has been widely developed and applied in atmospheric chemistry for decades. Mass spectrometry allows for effective detection, identification, and quantification of a broad range of organic and inorganic chemical species with high sensitivity and resolution. In this review, we summarize recently developed mass spectrometry techniques, methods, and applications in atmospheric chemistry research in the past several years on molecular-level. Specifically, new developments of ion-molecule reactors, various soft ionization methods, and unique coupling with separation techniques are highlighted. The new mass spectrometry applications in laboratory studies and field measurements focused on improving the detection limits for traditional and emerging volatile organic compounds, characterizing multiphase highly oxygenated molecules, and monitoring particle bulk and surface compositions.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"43 5","pages":"1091-1134"},"PeriodicalIF":6.6,"publicationDate":"2023-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9770749","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}
Guilherme J. Guimaraes, Jaeah Kim, Michael G. Bartlett
{"title":"Characterization of mRNA therapeutics","authors":"Guilherme J. Guimaraes, Jaeah Kim, Michael G. Bartlett","doi":"10.1002/mas.21856","DOIUrl":"10.1002/mas.21856","url":null,"abstract":"<p>Therapeutic messenger RNAs (mRNAs) have emerged as powerful tools in the treatment of complex diseases, especially for conditions that lack efficacious treatment. The successful application of this modality can be attributed to its ability to encode entire proteins. While the large nature of these molecules has supported their success as therapeutics, its extended size creates several analytical challenges. To further support therapeutic mRNA development and its deployment in clinical trials, appropriate methods to support their characterization must be developed. In this review, we describe current analytical methods that have been used in the characterization of RNA quality, identity, and integrity. Advantages and limitations from several analytical techniques ranging from gel electrophoresis to liquid chromatography–mass spectrometry and from shotgun sequencing to intact mass measurements are discussed. We comprehensively describe the application of analytical methods in the measurements of capping efficiency, poly A tail analysis, as well as their applicability in stability studies.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"43 5","pages":"1066-1090"},"PeriodicalIF":6.6,"publicationDate":"2023-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/mas.21856","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9738173","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}
Nicole Eyet, Shaun G. Ard, Nicholas S. Shuman, Albert A. Viggiano
{"title":"Ion-molecule studies of energetic oxygen allotropes in flow tubes: \u0000 \u0000 \u0000 \u0000 \u0000 O\u0000 2\u0000 \u0000 (\u0000 v\u0000 )\u0000 ,\u0000 \u0000 O\u0000 2\u0000 \u0000 (\u0000 a\u0000 \u0000 Δ\u0000 g\u0000 \u0000 \u0000 \u0000 1\u0000 \u0000 )\u0000 ,\u0000 \u0000 O\u0000 3\u0000 \u0000 ,\u0000 and\u0000 \u0000 O","authors":"Nicole Eyet, Shaun G. Ard, Nicholas S. Shuman, Albert A. Viggiano","doi":"10.1002/mas.21846","DOIUrl":"10.1002/mas.21846","url":null,"abstract":"<p>Starting in the 1960s, flow tube apparatuses have played a central role in the study of ion-molecule kinetics, allowing for immense chemical diversity of cationic, anionic, and neutral reactants. Here, we review studies of oxygen allotropes, excluding ground state O<sub>2</sub> (<span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 \u0000 <mrow>\u0000 <msup>\u0000 <mi>X</mi>\u0000 \u0000 <mn>3</mn>\u0000 </msup>\u0000 \u0000 <msubsup>\u0000 <mo>∑</mo>\u0000 \u0000 <mi>g</mi>\u0000 \u0000 <mo>−</mo>\u0000 </msubsup>\u0000 </mrow>\u0000 </mrow>\u0000 </semantics></math>), and focusing instead on reactions of cations, anions, and metal chemi-ionization reactions with ground state atomic oxygen (O <sup>3</sup>P), vibrationally excited molecular oxygen (O<sub>2</sub>(v)), electronically excited molecular oxygen (O<sub>2</sub> (<span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 \u0000 <mrow>\u0000 <msup>\u0000 <mi>a</mi>\u0000 \u0000 <mn>1</mn>\u0000 </msup>\u0000 \u0000 <msub>\u0000 <mi>Δ</mi>\u0000 \u0000 <mi>g</mi>\u0000 </msub>\u0000 </mrow>\u0000 </mrow>\u0000 </semantics></math>)), and ozone (O<sub>3</sub>). Historical outlines of work over several decades are given along with a focus on more recent work by our group at the Air Force Research Laboratory.</p>","PeriodicalId":206,"journal":{"name":"Mass Spectrometry Reviews","volume":"44 2","pages":"185-209"},"PeriodicalIF":6.6,"publicationDate":"2023-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"9739192","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}