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Metabolomics for dental caries diagnosis: Past, present, and future. 用于龋齿诊断的代谢组学:过去、现在和未来。
IF 6.9 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-06-28 DOI: 10.1002/mas.21896
Paras Ahmad, Dina G Moussa, Walter L Siqueira

Dental caries, a prevalent global infectious condition affecting over 95% of adults, remains elusive in its precise etiology. Addressing the complex dynamics of caries demands a thorough exploration of taxonomic, potential, active, and encoded functions within the oral ecosystem. Metabolomic profiling emerges as a crucial tool, offering immediate insights into microecosystem physiology and linking directly to the phenotype. Identified metabolites, indicative of caries status, play a pivotal role in unraveling the metabolic processes underlying the disease. Despite challenges in metabolite variability, the use of metabolomics, particularly via mass spectrometry and nuclear magnetic resonance spectroscopy, holds promise in caries research. This review comprehensively examines metabolomics in caries prevention, diagnosis, and treatment, highlighting distinct metabolite expression patterns and their associations with disease-related bacterial communities. Pioneering in approach, it integrates singular and combinatory metabolomics methodologies, diverse biofluids, and study designs, critically evaluating prior limitations while offering expert insights for future investigations. By synthesizing existing knowledge, this review significantly advances our comprehension of caries, providing a foundation for improved prevention and treatment strategies.

龋齿是一种全球流行的传染性疾病,影响着 95% 以上的成年人,但其确切的病因仍然难以捉摸。要解决龋齿的复杂动态问题,就必须对口腔生态系统中的分类、潜在、活跃和编码功能进行彻底探索。代谢组学分析是一种重要的工具,它能立即深入了解微生态系统的生理学,并直接与表型相联系。鉴定出的代谢物可指示龋病状态,在揭示龋病的代谢过程中起着关键作用。尽管代谢物的可变性面临挑战,但代谢组学的使用,特别是通过质谱法和核磁共振光谱法,在龋病研究中大有可为。这篇综述全面探讨了代谢组学在龋病预防、诊断和治疗中的应用,强调了不同代谢物的表达模式及其与疾病相关细菌群落的关联。它开创性地整合了单一和组合代谢组学方法、不同的生物流体和研究设计,批判性地评估了之前的局限性,同时为未来的研究提供了专业见解。通过综合现有知识,这篇综述极大地促进了我们对龋病的理解,为改进预防和治疗策略奠定了基础。
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引用次数: 0
Mass spectrometry imaging of N-linked glycans: Fundamentals and recent advances. N-连接糖的质谱成像:基本原理和最新进展。
IF 6.9 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-06-27 DOI: 10.1002/mas.21895
Tana V Palomino, David C Muddiman

With implications in several medical conditions, N-linked glycosylation is one of the most important posttranslation modifications present in all living organisms. Due to their nontemplate synthesis, glycan structures are extraordinarily complex and require multiple analytical techniques for complete structural elucidation. Mass spectrometry is the most common way to investigate N-linked glycans; however, with techniques such as liquid-chromatography mass spectrometry, there is complete loss of spatial information. Mass spectrometry imaging is a transformative analytical technique that can visualize the spatial distribution of ions within a biological sample and has been shown to be a powerful tool to investigate N-linked glycosylation. This review covers the fundamentals of mass spectrometry imaging and N-linked glycosylation and highlights important findings of recent key studies aimed at expanding and improving the glycomics imaging field.

N-连接的糖基化是所有生物体内最重要的翻译后修饰之一,对多种疾病都有影响。由于其非模板合成,聚糖结构异常复杂,需要多种分析技术才能完全阐明其结构。质谱法是研究 N-连接聚糖最常用的方法;然而,液相色谱质谱法等技术会完全丢失空间信息。质谱成像是一种变革性的分析技术,可以直观地显示生物样本中离子的空间分布,已被证明是研究N-连接糖基化的有力工具。这篇综述涵盖了质谱成像和N-连接糖基化的基本原理,并重点介绍了近期旨在扩大和改进糖化学成像领域的关键研究的重要发现。
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引用次数: 0
Analysis of carbohydrates and glycoconjugates by matrix-assisted laser desorption/ionization mass spectrometry: An update for 2021-2022. 利用基质辅助激光解吸/电离质谱分析碳水化合物和糖凝集物:2021-2022 年更新。
IF 6.9 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-06-24 DOI: 10.1002/mas.21873
David J Harvey

The use of matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of carbohydrates and glycoconjugates is a well-established technique and this review is the 12th update of the original article published in 1999 and brings coverage of the literature to the end of 2022. As with previous review, this review also includes a few papers that describe methods appropriate to analysis by MALDI, such as sample preparation, even though the ionization method is not MALDI. The review follows the same format as previous reviews. It is divided into three sections: (1) general aspects such as theory of the MALDI process, matrices, derivatization, MALDI imaging, fragmentation, quantification and the use of computer software for structural identification. (2) Applications to various structural types such as oligo- and polysaccharides, glycoproteins, glycolipids, glycosides and biopharmaceuticals, and (3) other general areas such as medicine, industrial processes, natural products and glycan synthesis where MALDI is extensively used. Much of the material relating to applications is presented in tabular form. MALDI is still an ideal technique for carbohydrate analysis, particularly in its ability to produce single ions from each analyte and advancements in the technique and range of applications show little sign of diminishing.

使用基质辅助激光解吸/电离(MALDI)质谱分析碳水化合物和糖类共轭物是一项成熟的技术,本综述是对 1999 年发表的原始文章的第 12 次更新,将文献覆盖范围扩大到 2022 年底。与以往的综述一样,本综述也包括几篇介绍适合 MALDI 分析方法的论文,如样品制备,即使电离方法不是 MALDI。本综述采用与以往综述相同的格式。它分为三个部分:(1) 一般方面,如 MALDI 过程的理论、基质、衍生化、MALDI 成像、碎片、定量以及使用计算机软件进行结构鉴定。(2) 各种结构类型的应用,如寡糖和多糖、糖蛋白、糖脂、糖苷和生物制药,以及 (3) MALDI 广泛应用的其他一般领域,如医药、工业流程、天然产品和聚糖合成。大部分与应用有关的资料都以表格形式呈现。MALDI 仍然是一种理想的碳水化合物分析技术,特别是它能够从每个分析物中产生单离子,而且该技术的进步和应用范围几乎没有减少的迹象。
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引用次数: 0
Mapping protein-protein interactions by mass spectrometry. 通过质谱法绘制蛋白质与蛋白质之间的相互作用图。
IF 6.9 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-05-14 DOI: 10.1002/mas.21887
Xiaonan Liu, Lawrence Abad, Lopamudra Chatterjee, Ileana M Cristea, Markku Varjosalo

Protein-protein interactions (PPIs) are essential for numerous biological activities, including signal transduction, transcription control, and metabolism. They play a pivotal role in the organization and function of the proteome, and their perturbation is associated with various diseases, such as cancer, neurodegeneration, and infectious diseases. Recent advances in mass spectrometry (MS)-based protein interactomics have significantly expanded our understanding of the PPIs in cells, with techniques that continue to improve in terms of sensitivity, and specificity providing new opportunities for the study of PPIs in diverse biological systems. These techniques differ depending on the type of interaction being studied, with each approach having its set of advantages, disadvantages, and applicability. This review highlights recent advances in enrichment methodologies for interactomes before MS analysis and compares their unique features and specifications. It emphasizes prospects for further improvement and their potential applications in advancing our knowledge of PPIs in various biological contexts.

蛋白质-蛋白质相互作用(PPIs)对于信号转导、转录控制和新陈代谢等多种生物活动至关重要。它们在蛋白质组的组织和功能中起着关键作用,它们的干扰与癌症、神经变性和传染病等多种疾病有关。基于质谱(MS)的蛋白质相互作用组学的最新进展极大地扩展了我们对细胞中 PPIs 的了解,灵敏度和特异性不断提高的技术为研究不同生物系统中的 PPIs 提供了新的机会。这些技术因所研究的相互作用类型而异,每种方法都有自己的优缺点和适用性。本综述重点介绍了质谱分析前相互作用组富集方法的最新进展,并比较了这些方法的独特功能和规格。它强调了进一步改进的前景及其在增进我们对各种生物环境中 PPIs 的了解方面的潜在应用。
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引用次数: 0
Modern machine-learning applications in ambient ionization mass spectrometry 环境电离质谱中的现代机器学习应用
IF 6.9 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-04-26 DOI: 10.1002/mas.21886
Anatoly A. Sorokin, Stanislav I. Pekov, Denis S. Zavorotnyuk, Mariya M. Shamraeva, Denis S. Bormotov, Igor A. Popov

This article provides a comprehensive overview of the applications of methods of machine learning (ML) and artificial intelligence (AI) in ambient ionization mass spectrometry (AIMS). AIMS has emerged as a powerful analytical tool in recent years, allowing for rapid and sensitive analysis of various samples without the need for extensive sample preparation. The integration of ML/AI algorithms with AIMS has further expanded its capabilities, enabling enhanced data analysis. This review discusses ML/AI algorithms applicable to the AIMS data and highlights the key advancements and potential benefits of utilizing ML/AI in the field of mass spectrometry, with a focus on the AIMS community.

本文全面概述了机器学习(ML)和人工智能(AI)方法在环境电离质谱(AIMS)中的应用。近年来,AIMS 已成为一种强大的分析工具,可对各种样品进行快速、灵敏的分析,而无需进行大量的样品制备。ML/AI 算法与 AIMS 的整合进一步扩展了其功能,使数据分析能力得到增强。本综述将讨论适用于 AIMS 数据的 ML/AI 算法,并重点介绍在质谱分析领域利用 ML/AI 的主要进展和潜在优势,重点关注 AIMS 社区。
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引用次数: 0
Editor's note 编者注
IF 6.6 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-04-25 DOI: 10.1002/mas.21885
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引用次数: 0
Photoaffinity labeling coupled to MS to identify peptide biological partners: Secondary reactions, for better or for worse? 光亲和标记与 MS 联用,识别多肽生物伙伴:二次反应,是好是坏?
IF 6.6 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-04-05 DOI: 10.1002/mas.21880
Astrid Walrant, Emmanuelle Sachon
Affinity photolabeling is a smart method to study noncovalent and transient interactions and provide a submolecular picture of the contacts between interacting partners. In this review, we will focus on the identification of peptide partners using photoaffinity labeling coupled to mass spectrometry in different contexts such as in vitro with a purified potential partner, in model systems such as model membranes, and with live cells using both targeted and nontargeted proteomics studies. Different biological partners will be described, among which glycoconjugates, oligonucleotides, peptides, proteins, and lipids, with the photoreactive label inserted either on the peptide of interest or on the potential partner. Particular attention will be paid to the observation and characterization of specific rearrangements following the photolabeling reaction, which can help characterize photoadducts and provide a better understanding of the interacting systems and environment.
亲和光标记是一种研究非共价和瞬时相互作用的智能方法,可提供相互作用伙伴之间接触的亚分子图谱。在这篇综述中,我们将重点介绍在不同情况下使用光亲和标记结合质谱鉴定肽伴侣的方法,如在体外使用纯化的潜在伴侣,在模型系统(如模型膜)中使用,以及在活细胞中使用靶向和非靶向蛋白质组学研究。将介绍不同的生物伴侣,其中包括糖共轭物、寡核苷酸、肽、蛋白质和脂质,光活性标签可插入感兴趣的肽或潜在伴侣上。我们将特别关注光标记反应后特定重排的观察和特征描述,这有助于确定光加成物的特征,更好地了解相互作用的系统和环境。
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引用次数: 0
Protein glycosylation in lung cancer from a mass spectrometry perspective 从质谱分析角度看肺癌中的蛋白质糖基化
IF 6.6 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-04-05 DOI: 10.1002/mas.21882
Mirjam Balbisi, Simon Sugár, Lilla Turiák
Lung cancer is a severe disease for which better diagnostic and therapeutic approaches are urgently needed. Increasing evidence implies that aberrant protein glycosylation plays a crucial role in the pathogenesis and progression of lung cancer. Differences in glycosylation patterns have been previously observed between healthy and cancerous samples as well as between different lung cancer subtypes, which suggests untapped diagnostic potential. In addition, understanding the changes mediated by glycosylation may shed light on possible novel therapeutic targets and personalized treatment strategies for lung cancer patients. Mass spectrometry based glycomics and glycoproteomics have emerged as powerful tools for in‐depth characterization of changes in protein glycosylation, providing valuable insights into the molecular basis of lung cancer. This paper reviews the literature on the analysis of protein glycosylation in lung cancer using mass spectrometry, which is dominated by manuscripts published over the past 5 years. Studies analyzing N‐glycosylation, O‐glycosylation, and glycosaminoglycan patterns in tissue, serum, plasma, and rare biological samples of lung cancer patients are highlighted. The current knowledge on the potential utility of glycan and glycoprotein biomarkers is also discussed.
肺癌是一种严重的疾病,迫切需要更好的诊断和治疗方法。越来越多的证据表明,蛋白质糖基化异常在肺癌的发病和进展过程中起着至关重要的作用。以前曾观察到健康样本和癌症样本之间以及不同肺癌亚型之间的糖基化模式存在差异,这表明诊断潜力尚待开发。此外,了解糖基化介导的变化可能会为肺癌患者找到新的治疗靶点和个性化治疗策略。基于质谱的糖组学和糖蛋白组学已成为深入表征蛋白质糖基化变化的有力工具,为肺癌的分子基础提供了宝贵的见解。本文回顾了利用质谱分析肺癌蛋白质糖基化的文献,其中主要是过去五年发表的手稿。重点介绍了分析肺癌患者组织、血清、血浆和稀有生物样本中 N-糖基化、O-糖基化和糖胺聚糖模式的研究。此外,还讨论了目前关于聚糖和糖蛋白生物标记物潜在用途的知识。
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引用次数: 0
Mass spectrometry for neurosurgery: Intraoperative support in decision-making 神经外科的质谱分析:为决策提供术中支持
IF 6.9 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-04-04 DOI: 10.1002/mas.21883
Stanislav I. Pekov, Denis S. Bormotov, Svetlana I. Bocharova, Anatoly A. Sorokin, Maria M. Derkach, Igor A. Popov

Ambient ionization mass spectrometry was proved to be a powerful tool for oncological surgery. Still, it remains a translational technique on the way from laboratory to clinic. Brain surgery is the most sensitive to resection accuracy field since the balance between completeness of resection and minimization of nerve fiber damage determines patient outcome and quality of life. In this review, we summarize efforts made to develop various intraoperative support techniques for oncological neurosurgery and discuss difficulties arising on the way to clinical implementation of mass spectrometry-guided brain surgery.

环境电离质谱法已被证明是肿瘤外科的有力工具。尽管如此,它仍然是从实验室到临床的转化技术。脑部手术是对切除准确性最为敏感的领域,因为切除的完整性和神经纤维损伤的最小化之间的平衡决定了患者的预后和生活质量。在这篇综述中,我们总结了为肿瘤神经外科开发各种术中支持技术所做的努力,并讨论了在临床实施质谱引导脑外科手术的过程中出现的困难。
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引用次数: 0
Young mass spectrometrists special issue 青年质谱专家特刊
IF 6.6 2区 化学 Q1 SPECTROSCOPY Pub Date : 2024-04-03 DOI: 10.1002/mas.21884
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引用次数: 0
期刊
Mass Spectrometry Reviews
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