Novel Computational and Instrumentation Methodologies for Biological Fourier-transform Ion Cyclotron Resonance Mass Spectrometric (FT-ICR MS) Imaging PDF Download
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Author: Konstantin Aizikov
Publisher:
ISBN:
Category :
Languages : en
Pages : 240
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Book Description
Abstract: Mass spectrometry imaging (MSI) is an emerging experimental methodology whose primary objective is the investigation of spatial variation of molecular composition within and across selected biological tissues to enable biomarker discovery, molecular diagnosis, and studies of drug metabolism, among other applications. The two major challenges, therefore, are the unambiguous identification and precise localization of biologically relevant compounds. These challenges can be recast as a problem of improving the accuracy and resolution of mass analyzers as well as the accuracy of the sample positioning robotics. The first part of this work reports on the progress and outlines the strategies of application of a recently developed high resolution spectral analysis technique, called the Filter Diagonalization Method (FDM), for the investigation of space-charge related phenomena inside the detection cell of a Fourier Transform Ion Cyclotron Resonance Mass Spectrometer (FT-ICR MS), understanding of which lies at the heart of the quest for further improvements in mass accuracy and resolution. The FDM spectrographic analysis revealed previously unobserved rapid isotope- beat space-charge induced ICR frequency modulations, shown to reach up to +/- 400 ppm even on high quality spectra. The application of this methodology to the investigation of a frequently observed but previously unexplained phenomenon in FT-ICR MS, the Spontaneous Loss of Coherence Catastrophe, conclusively demonstrated that it is tied directly to the space charge effect and magnetron expansion. The second part of this work reports on the development of the ionization source and vacuum compatible high precision sample positioning robotics for biological MSI applications, purpose built for FT-ICR MS. The complete design and implementation is reported herein, along with the demonstration of its performance and biological application. The XY-positioning stage capable of operating under 10 -8 mbar vacuum with submicron positioning accuracy along the entire ranges of motion of 100x100 mm was designed, built, and installed into the ionization sources of three MALDI FT-ICR MS instruments. Two dimensional chemo-spatial maps of rat brain tissue selections were constructed with 150 micron spatial resolution, identifying multiple ionic species with their distinct and discreet spatial localizations. These demonstrated performance characteristics greatly surpass current state-of-the-art robotics available for MALDI MSI and shift the effort of further improvements in spatial resolution to the ionization methodologies, and other ion source design issues, such as laser optics.
Author: Konstantin Aizikov
Publisher:
ISBN:
Category :
Languages : en
Pages : 240
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Book Description
Abstract: Mass spectrometry imaging (MSI) is an emerging experimental methodology whose primary objective is the investigation of spatial variation of molecular composition within and across selected biological tissues to enable biomarker discovery, molecular diagnosis, and studies of drug metabolism, among other applications. The two major challenges, therefore, are the unambiguous identification and precise localization of biologically relevant compounds. These challenges can be recast as a problem of improving the accuracy and resolution of mass analyzers as well as the accuracy of the sample positioning robotics. The first part of this work reports on the progress and outlines the strategies of application of a recently developed high resolution spectral analysis technique, called the Filter Diagonalization Method (FDM), for the investigation of space-charge related phenomena inside the detection cell of a Fourier Transform Ion Cyclotron Resonance Mass Spectrometer (FT-ICR MS), understanding of which lies at the heart of the quest for further improvements in mass accuracy and resolution. The FDM spectrographic analysis revealed previously unobserved rapid isotope- beat space-charge induced ICR frequency modulations, shown to reach up to +/- 400 ppm even on high quality spectra. The application of this methodology to the investigation of a frequently observed but previously unexplained phenomenon in FT-ICR MS, the Spontaneous Loss of Coherence Catastrophe, conclusively demonstrated that it is tied directly to the space charge effect and magnetron expansion. The second part of this work reports on the development of the ionization source and vacuum compatible high precision sample positioning robotics for biological MSI applications, purpose built for FT-ICR MS. The complete design and implementation is reported herein, along with the demonstration of its performance and biological application. The XY-positioning stage capable of operating under 10 -8 mbar vacuum with submicron positioning accuracy along the entire ranges of motion of 100x100 mm was designed, built, and installed into the ionization sources of three MALDI FT-ICR MS instruments. Two dimensional chemo-spatial maps of rat brain tissue selections were constructed with 150 micron spatial resolution, identifying multiple ionic species with their distinct and discreet spatial localizations. These demonstrated performance characteristics greatly surpass current state-of-the-art robotics available for MALDI MSI and shift the effort of further improvements in spatial resolution to the ionization methodologies, and other ion source design issues, such as laser optics.
Author: Philippe Schmitt-Kopplin
Publisher: Elsevier
ISBN: 0128140143
Category : Science
Languages : en
Pages : 780
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Book Description
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
Author: B. Asamoto
Publisher: Wiley
ISBN: 9780471187349
Category : Science
Languages : en
Pages : 306
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Book Description
An in-depth look at many of the applications where FT-ICR mass spectrometry is implemented. Contributing authors emphasize ways in which FT-ICR provides superior information to that of other types of mass spectrometers as well as where it may be less informative than other mass spectrometers. With the information provided, analytical chemists will be capable of assessing the usefulness of FT-ICR versus other mass spectrometric methods for their particular needs. Comprehensive chapters cover the history of ICR and other techniques based on the cyclotron principles of mass analysis and offer a descriptive explanation of the theory involved in fourier transform detection and analysis. Chapters also detail features and areas of active research in instrumentation and some specifications on commercial instruments as well as the home-built American Cyanamid instrument. Application chapters cover one technique in detail and illustrate its particular area of analysis.
Author: Bruce Asamoto
Publisher: Wiley-VCH
ISBN:
Category : Fourier transform spectroscopy
Languages : en
Pages : 326
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Book Description
Author: Michelle Margaret Sweeney
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
ABSTRACT: Noncovalent chemistry is the basis of many important biological interactions, including enzyme-ligand complex formation. As these interactions are typically weaker than covalent bonds, special analysis methods are needed for studying noncovalent complexes. Using gentle ionization methods like electrospray ionization (ESI), noncovalent complexes can be preserved and analyzed by mass spectrometry. Fourier transform ion cyclotron resonance mass spectrometry (ESI-FTICR-MS) provides superior mass accuracy, resolving power, and tandemin- time capabilities. Among the dissociation techniques available are in-source collision-induced dissociation and infrared multiple photon dissociation (IRMPD). Dynamic combinatorial chemistry uses a special type of library wherein reversible binding between library members and between library members and a target molecule expands the potential number of strong complex interactions. Here, several 2', 3'-cyclic monophosphate nucleotides were incubated with Ribonuclease A to generate enzyme-ligand complexes. Enzymatic activity may drive the library members to form RNA chains via phosphodiester bond generation. This dissertation shows the method development for screening a cyclic nucleotide-based dynamic combinatorial library for tight-binding ligands of Ribonuclease A using ESI-FTICR-MS.
Author: George Miles Alber
Publisher:
ISBN:
Category :
Languages : en
Pages : 320
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Book Description
Author: Raymond E. March
Publisher: CRC Press
ISBN: 1420083724
Category : Science
Languages : en
Pages : 952
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Book Description
Reflecting the substantial increase in popularity of quadrupole ion traps and Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers, Practical Aspects of Trapped Ion Mass Spectrometry, Volume IV: Theory and Instrumentation explores the historical origins of the latest advances in this expanding field. It covers new methods for trapp
Author: Forest M. White
Publisher:
ISBN:
Category : Fourier transform spectroscopy
Languages : en
Pages : 352
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Book Description
Author: Richard B. Cole
Publisher: John Wiley & Sons
ISBN: 1118211553
Category : Science
Languages : en
Pages : 900
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Book Description
Discover how advances in mass spectrometry are fueling new discoveries across a broad range of research areas Electrospray and MALDI Mass Spectrometry brings both veteran practitioners and beginning scientists up to date with the most recent trends and findings in electrospray ionization and matrix-assisted laser desorption/ionization (MALDI) mass spectrometry. In particular, this Second Edition highlights how advances in electrospray and MALDI mass spectrometry are supporting important discoveries in new and emerging fields such as proteomics and metabolomics as well as in traditional areas of chemistry and physics research. Electrospray AND MALDI Mass Spectrometry, SECOND EDITION is divided into five parts: Part A, Fundamentals of ES, explains the fundamental phenomena underlying the electrospray process, including selectivity in ionization and inherent electrochemistry, and concludes with a chapter offering a comparative inventory of source hardware Part B, Fundamentals of MALDI, confronts ionization mechanisms, instrument development, and matrix selection, and includes a final chapter that explores the special application of MALDI to obtain two-dimensional images of spatial distributions of compounds on surfaces Part C, ES and MALDI Coupling to Mass Spectrometry Instrumentation, examines the coupling of these ionization techniques to various mass analyzers, including quadrupole ion trap, time-of-flight, Fourier transform ion cyclotron resonance, and ion mobility mass spectrometers Part D, Practical Aspects of ES and MALDI, investigates analytical issues including quantification, charge-state distributions, noncovalent interactions in solution that are preserved as gas-phase ions, and various means of ion excitation in preparation for tandem mass spectrometry, and offers a guide to the interpretation of even-electron mass spectra Part E, Biological Applications of ES and MALDI, examines the role of mass spectrometry in such areas as peptide and protein characterization, carbohydrate analysis, lipid analysis, and drug discovery Written by a team of leading experts, the book not only provides a critical review of the literature, but also presents key concepts in tutorial fashion to help readers take full advantage of the latest technological breakthroughs and applications. As a result, Electrospray and MALDI Mass Spectrometry will help researchers fully leverage the power of electrospray and MALDI mass spectrometry. The judicious compartmentalization of chapters, and the pedagogic presentation style throughout, render the book highly suitable for use as a text for graduate-level courses in advanced mass spectrometry.
Author: A.G. Marshall
Publisher: Elsevier
ISBN: 148329384X
Category : Science
Languages : en
Pages : 470
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Book Description
Written by spectroscopists for spectroscopists, here is a book which is not only a valuable handbook and reference work, but also an ideal teaching text for Fourier transform methods as they are applied in spectroscopy. It offers the first unified treatment of the three most popular types of FT/spectroscopy, with uniform notation and complete indexing of specialized terms. All mathematics is self-contained, and requires only a knowledge of simple calculus. The main emphasis is on pictures and physical analogs rather than detailed algebra. Instructive problems, presented at the end of each chapter, offer extensions of the basic treatment. Solutions are given or outlined for all problems.The book offers a wealth of practical information to spectroscopists. Non-ideal effects are treated in detail: noise (source- and detector-limited); non-linear response; limits to spectrometer performance based on finite detection period, finite data size, mis-phasing, etc. Common puzzles and paradoxes are explained: e.g. use of mathematically complex variables to represent physically real quantities; interpretation of negative frequency signals; on-resonance vs. off-resonance response; interpolation (when it helps and when it doesn't); ultimate accuracy of the data; differences between linearly- and circularly-polarized radiation; multiplex advantage or disadvantage, etc.Chapter 1 introduces the fundamental line shapes encountered in spectroscopy, from a simple classical mass-on-a-spring model. The Fourier transform relationship between the time-domain response to a sudden impulse and the steady-state frequency-domain response (absorption and dispersion spectra) to a continuous oscillation is established and illustrated. Chapters 2 and 3 summarize the basic mathematics (definitions, formulas, theorems, and examples) for continuous (analog) and discrete (digital) Fourier transforms, and their practical implications. Experimental aspects which are common to the signal (Chapter 4) and noise (Chapter 5) in all forms of Fourier transform spectrometry are followed by separate chapters for treatment of those features which are unique to FT/MS, FT/optical, FT/NMR, and other types of FT/spectroscopy.The list of references includes both historical and comprehensive reviews and monographs, along with articles describing several key developments. The appendices provide instant access to FT integrals and fast algorithms as well as a pictorial library of common Fourier transform function pairs. The comprehensive index is designed to enable the reader to locate particular key words, including those with more than one name.
