Application Of High Resolution Mass Spectrometry To The Analysis Of Complex Mixtures

From inside our bodies to the environment we live in, there are a wide variety of unknown compounds that have been difficult to identify and characterize through current methods. We aim to study these compounds by liquid chromatography (LC) high-resolution tandem mass spectrometry (MS/MS). LC-MS/MS has become the gold standard for the analysis of complex mixtures due to its capabilities to decrease spectral overlap and high mass measurement accuracy. Proteins are of particular interest biologically because they give insight into various diseases and the health of our biological processes. Analysis of these proteins is hindered by the current methods implemented in laboratories due to the size and characteristics of these compounds and their natural behavior outside of biological systems. Just as import as what is inside the human body is what is in the environment, specifically the Earth's oceans. Just like proteins in the body, the Earth's oceans give us a picture into the health of the environment. We know that human activity has severally impacted our atmosphere and water sources. We aim to understand the connections with pollution and the effects it has on oceans, a major water source on Earth. First a broad overview of LC-MS/MS is presented in Chapter 1. The first section discusses the MS instrumentation used for the studies in the following chapters, the 14- and 21-Tesla Fourier Transform Ion Cyclotron Mass Spectrometer (14- and 21-T FT ICR MS). The custom-built system is designed to produce the highest resolution data for compound identification and structural information. Our facilities are also equipped with various liquid chromatography (LC) systems that are used to separate mixtures and decrease sample complexity. Lastly, a brief introduction to various complex mixtures analyzed by LC-MS. The chapters that follow cover the specific studies performed with the knowledge of LC-FT ICR-MS and compound identifications. Chapter 2 discusses a study into the benefits and limitations on the application of isotopic depletion for cultured proteins. Isotopic depletion is a method used to deplete compounds of various heavy isotopes of elements present, most commonly carbon, nitrogen, hydrogen, oxygen, and sulfur. Heavy isotopes effect MS experiments in multiple ways which are investigated in the study for proteins derived from multiple cell lines (E. coli and C. elegan). This work is novel in the application and analysis of isotopically depleted C. elegans proteins The methods used for the biological applications can be applied to the analysis of marine samples which is discussed in Chapters 3 and 4. Chapter 3 investigates the composition of sinking particles in the California Coastal Current, specifically metabolites. Sinking particles play a role in the regulation of biological processes in the water column but additionally have shown to regulate greenhouse emissions. We take an even deeper look with analysis of marine sediments to see how far pollutants travel down the water column and are stored at the bottom of the ocean, in Chapter 4. Marine sediment samples were collected from the Oregon continental shelf at established sample stations. The analysis of these environmental samples by LC-MS/MS is still in the developmental phase. Our work aims to develop novel LC-MS/MS methods that can give a fuller picture into environmental impacts of pollution. The overall goal is to expand the capabilities of LC-MS/MS experiments to complex mixtures. LC-MS/MS shows its true capabilities and potential in the experiments discussed here. From 300 Da to 40 kDa in size, LC-MS/MS can efficiently analyze a wide dynamic range of compounds which is critical to broad applicability. With this work, future experiments can analyze and identify a wide range of compounds by high-throughput LC-MS/MS analysis.

Applications of High Resolution Mass Spectrometry: Food Safety and Pesticide Residue Analysis is the first book to offer complete coverage of all aspects of high resolution mass spectrometry (HRMS) used for the analysis of pesticide residue in food. Aimed at researchers and graduate students in food safety, toxicology, and analytical chemistry, the book equips readers with foundational knowledge of HRMS, including established and state-of-the-art principles and analysis strategies. Additionally, it provides a roadmap for implementation, including discussions of the latest instrumentation and software available. Detailed coverage is given to the application of HRMS coupled to ultra high-performance liquid chromatography (UHPLC-HRMS) in the analysis of pesticide residue in fruits and vegetables and food from animal origin. The book also discusses extraction procedures and the challenges of sample preparation, gas chromatography coupled to high resolution mass spectrometry, flow injection-HRMS, ambient ionization, and identification of pesticide transformation products in food. Responding to the fast development and application of these new procedures, this book is an essential resource in the food safety field. Arms researchers with an in-depth resource devoted to the rapid advances in HRMS tools and strategies for pesticide residue analysis in food Provides a complete overview of analytical methodologies and applications of HRMS, including UHPLC-HRMS, HRMS coupled with time of flight (TOF) and/or GC-Orbitrap, and flow injection-HRMS Discusses the current international regulations and legislation related to the use of HRMS in pesticide residue analysis Features a chapter on the hardware and software available for HRMS implementation Offers separate chapters on HRMS applied to pesticide residue analysis in fruits and vegetables and in food from animal origin

Mass spectrometry (MS) along with its hyphenated techniques is capable of high throughput, sensitivity, accuracy and selectivity for the analysis of structure and composition of almost any product. Like in electrophoresis, MS separates mo- cules based on the mass-to-charge ratio. In case of gel electrophoresis (SDS- PAGE), a well-known and efficient bioanalytical technique, proteins bear negative charges but have the same charge density, so proteins are separated according to their size. Similarly, in case of MS analysis, proteins carry the same charge, and are separated by their molecular weight. Unlike SDS-PAGE, however, modern ultra high resolution MS discerns very small mass differences and can resolve and completely identify in a single experiment species of the same nominal mass in complex biological mixtures. Consequently, MS can be used for the structural characterization, identification and sensitive detection of mixtures of biomolecules or for assessing the quality of isolated proteins (purity, integrity, or post-translational modifications, for example), carbohydrates, nucleic acids, drugs, metabolites, pollutants etc. In the post-genome era, MS is continuously developing as one of the most re- able analytical method for elucidating the structure of molecules originating from various biological matrices. The potential of MS for high-sensitive structural a- lyses became unsurpassable after the introduction of electrospray (ESI) and matrix assisted laser/desorption ionization (MALDI) methods, on one hand, and the pos- bility to deduce in detail unknown biopolymer structures by highly accurate mo- cular mass measurement followed by sequencing using dissociation techniques based on multiple stage MS, on the other.

Due to its high sensitivity and selectivity, liquid chromatography–mass spectrometry (LC–MS) is a powerful technique. It is used for various applications, often involving the detection and identification of chemicals in a complex mixture. Ultra Performance Liquid Chromatography Mass Spectrometry: Evaluation and Applications in Food Analysis presents a unique collection of up-to-date UPLC-MS/MS methods for the separation and quantitative determination of components, contaminants, vitamins, and aroma and flavor compounds in a wide variety of foods and food products. The book begins with an overview of the history, principles, and advancement of chromatography. It discusses the use of UHPLC techniques in food metablomics, approaches for analysis of foodborne carcinogens, and details of UPLC-MS techniques used for the separation and determination of capsaicinoids. Chapters describe the analysis of contaminants in food, including pesticides, aflatoxin, perfluorochemicals, and acrylamide, as well as potentially carcinogenic heterocyclic amines in cooked foods. The book covers food analysis for beneficial compounds, such as the determination of folate, vitamin content analysis, applications for avocado metabolite studies, virgin olive oil component analysis, lactose determination in milk, and analysis of minor components of cocoa and phenolic compounds in fruits and vegetables. With contributions by experts in interdisciplinary fields, this reference offers practical information for readers in research and development, production, and routing analysis of foods and food products.

Provides a comprehensive description of mass spectrometry basics, applications, and perspectives Mass spectrometry is a modern analytical technique, allowing for fast and ultrasensitive detection and identification of chemical species. It can serve for analysis of narcotics, counterfeit medicines, components of explosives, but also in clinical chemistry, forensic research and anti-doping analysis, for identification of clinically relevant molecules as biomarkers of various diseases. This book describes everything readers need to know about mass spectrometry—from the instrumentation to the theory and applications. It looks at all aspects of mass spectrometry, including inorganic, organic, forensic, and biological MS (paying special attention to various methodologies and data interpretation). It also contains a list of key terms for easier and faster understanding of the material by newcomers to the subject and test questions to assist lecturers. Knowing how crucial it is for young researchers to fully understand both the power of mass spectrometry and the importance of other complementary methodologies, Mass Spectrometry: An Applied Approach teaches that it should be used in conjunction with other techniques such as NMR, pharmacological tests, structural identification, molecular biology, in order to reveal the true function(s) of the identified molecule. Provides a description of mass spectrometry basics, applications and perspectives of the technique Oriented to a broad audience with limited or basic knowledge in mass spectrometry instrumentation, theory, and its applications in order to enhance their competence in this field Covers all aspects of mass spectrometry, including inorganic, organic, forensic, and biological MS with special attention to application of various methodologies and data interpretation Includes a list of key terms, and test questions, for easier and faster understanding of the material Mass Spectrometry: An Applied Approach is highly recommended for advanced students, young scientists, and anyone involved in a field that utilizes the technique.

Fundamentals and Applications of Fourier Transform Mass Spectrometry is the first book to delve into the underlying principles on the topic and their linkage to industrial applications. Drs. Schmitt-Kopplin and Kanawati have brought together a team of leading experts in their respective fields to present this technique from many different perspectives, describing, at length, the pros and cons of FT-ICR and Orbitrap. Numerous examples help researchers decide which instruments to use for their particular scientific problem and which data analysis methods should be applied to get the most out of their data. Covers FT-ICR-MS and Orbitrap’s fundamentals, enhancing researcher knowledge Includes details on ion sources, data processing, chemical analysis and imaging Provides examples across the wide spectrum of applications, including omics, environmental, chemical, pharmaceutical and food analysis

This monograph reviews all relevant technologies based on mass spectrometry that are used to study or screen biological interactions in general. Arranged in three parts, the text begins by reviewing techniques nowadays almost considered classical, such as affinity chromatography and ultrafiltration, as well as the latest techniques. The second part focusses on all MS-based methods for the study of interactions of proteins with all classes of biomolecules. Besides pull down-based approaches, this section also emphasizes the use of ion mobility MS, capture-compound approaches, chemical proteomics and interactomics. The third and final part discusses other important technologies frequently employed in interaction studies, such as biosensors and microarrays. For pharmaceutical, analytical, protein, environmental and biochemists, as well as those working in pharmaceutical and analytical laboratories.

The Encyclopedia is a complete and authoritative reference work for this rapidly evolving field. Over 200 international scientists, each experts in their specialties, have written over 330 separate topics on different aspects of geochemistry including geochemical thermodynamics and kinetics, isotope and organic geochemistry, meteorites and cosmochemistry, the carbon cycle and climate, trace elements, geochemistry of high and low temperature processes, and ore deposition, to name just a few. The geochemical behavior of the elements is described as is the state of the art in analytical geochemistry. Each topic incorporates cross-referencing to related articles, and also has its own reference list to lead the reader to the essential articles within the published literature. The entries are arranged alphabetically, for easy access, and the subject and citation indices are comprehensive and extensive. Geochemistry applies chemical techniques and approaches to understanding the Earth and how it works. It touches upon almost every aspect of earth science, ranging from applied topics such as the search for energy and mineral resources, environmental pollution, and climate change to more basic questions such as the Earth’s origin and composition, the origin and evolution of life, rock weathering and metamorphism, and the pattern of ocean and mantle circulation. Geochemistry allows us to assign absolute ages to events in Earth’s history, to trace the flow of ocean water both now and in the past, trace sediments into subduction zones and arc volcanoes, and trace petroleum to its source rock and ultimately the environment in which it formed. The earliest of evidence of life is chemical and isotopic traces, not fossils, preserved in rocks. Geochemistry has allowed us to unravel the history of the ice ages and thereby deduce their cause. Geochemistry allows us to determine the swings in Earth’s surface temperatures during the ice ages, determine the temperatures and pressures at which rocks have been metamorphosed, and the rates at which ancient magma chambers cooled and crystallized. The field has grown rapidly more sophisticated, in both analytical techniques that can determine elemental concentrations or isotope ratios with exquisite precision and in computational modeling on scales ranging from atomic to planetary.