Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FTICR-MS) for the Study of Noncovalent Complexes PDF Download

Author: Brittany L. Heath
Publisher:
ISBN: 9780494856758
Category :
Languages : en
Pages :

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Author: Philippe Schmitt-Kopplin
Publisher: Elsevier
ISBN: 0128140143
Category : Science
Languages : en
Pages : 778

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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: Michelle Margaret Sweeney
Publisher:
ISBN:
Category :
Languages : en
Pages :

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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: Bruce Asamoto
Publisher: Wiley-VCH
ISBN:
Category : Science
Languages : en
Pages : 328

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Author: B. Asamoto
Publisher: Wiley
ISBN: 9780471187349
Category : Science
Languages : en
Pages : 306

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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: Hoan Vu
Publisher:
ISBN:
Category : Electronic dissertations
Languages : en
Pages :

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Abstract: The search for new drugs in natural products involves the screening of natural product extracts on therapeutic targets for the presence of active compounds and subsequent investigation of their biological activities. Towards this end, a rapid and effective strategy to identify the noncovalent interactions between active ligands from natural product extracts with therapeutic protein targets without false positive or negative results is critical. The current thesis presents the outcomes of research exploring a novel approach of biological screening of natural product extracts using bioaffinity ESI-FTICR-MS as a detection means. A research plan containing three major steps has been undertaken in this study. Step one examines the current challenges in identifying protein complexes by ESI-MS and developing optimized conditions for ESI-FTICR-MS. Step two involves the development of methods for identifying complexes of targets with various molecular mass values (600 66,000 Da) in the setting of crude extracts. Step three uses these methods to screen natural product extracts and identify active natural product compound protein complexes, obtaining accurate molecular mass of active compounds and their mass fingerprint. On this basis, a mass-directed purification experiment was performed to isolate the identified active compounds. The binding of the pure active compounds with the protein target was then confirmed by competition experiments with a specific inhibitor of the protein. The procedure to achieve the optimal ESI-MS condition for detecting protein - small molecule complex has been successfully developed using bCA II as the test target protein and fractional factorial design (FFD) approach. Key instrumental factors controlling the desolvation process, as well as the interactions between these factors, have been identified using FFD experiment. It has been found that flow rate, nebulizer gas pressure and drying gas flow rate are factors that greatly affect the sensitivity of the complex detection. Capillary exit voltage also has a great effect on the desolvation in vacuum and on the preservation of the complex. These factors have been found to interact with each other and contribute to the final response, and therefore, have been incorporated in a second FFD experiment which focuses on minimum moment aberration. It has been found that the best condition is achieved when the capillary exit voltage is at the highest setting, and the flow rate, drying gas flow rate and nebulizing gas are at medium settings. The development of ESI-FTICR-MS methods for identifying noncovalent complexes in the environment of crude extracts has been accomplished using targets with various molecular mass values. In particular, ESI-FTICR-MS has been used to successfully detect hemin (

Author: Maria Paula Da Silva
Publisher:
ISBN:
Category :
Languages : de
Pages : 0

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Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 42

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An external source electrospray ionization (ESI) Fourier transform ion cyclotron resonance (FTICR) mass spectrometer has been used to study the organometallic complexes Ag2(DPM)2(BF4)2 (where DPM = bis-diphenylphosphino- methane), Ag2(DPM)3(BF4)2 and Ru(II)(bp)3(PF6)2 (where bpy = 2,2'-bipyridyl). The high mass resolution and accurate mass assignment of parent and collisionally induced dissociation (CID) fragment ions provided structural information on these organometallic complexes. CID in the capillary/skimmer region and inside the FTICR analyzer cell were performed on these complexes and results from each type of experiment were compared. Important fragmentation pathways and reaction types, including bond cleavage, ligand loss, and ligand substitution were identified. Electrospray ionization, Organometallic complexes, Fourier transform ion cyclotron resonance mass spectrometry.

Author: Ragulan Ramanathan
Publisher:
ISBN: 9780530004860
Category : Science
Languages : en
Pages : 290

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Abstract: Design, development, and coupling of an electrospray ionization (ESI) source with a Fourier Transform Ion Cyclotron (FTICR) Mass Spectrometer (MS). Developed ESI source was used for detection and characterization of small and large molecules. Dissertation Discovery Company and University of Florida are dedicated to making scholarly works more discoverable and accessible throughout the world. This dissertation, "Internal and External Source Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry" by Ragulan Ramanathan, was obtained from University of Florida and is being sold with permission from the author. A digital copy of this work may also be found in the university's institutional repository, IR@UF. The content of this dissertation has not been altered in any way. We have altered the formatting in order to facilitate the ease of printing and reading of the dissertation.

Author: Sydney Faye Niles
Publisher:
ISBN:
Category : Analytical chemistry
Languages : en
Pages : 0

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Society today is still very dependent on petroleum, the most complex naturally occurring mixture on the planet. Ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) has been employed to comprehensively characterize petroleum, because of its ability to resolve and identify hundreds of thousands of compounds in complex mixtures. However, despite advances in the chemical knowledge of fossil fuels, many questions remain unanswered regarding their behavior in the environment. Oil spills, such as Deepwater Horizon (DWH) are harmful to coastal and marine ecosystems, as well as public health, however, are inevitable in an oil-dependent world. Therefore, understanding the molecular composition of petroleum and how it transforms in the environment is crucial for the development of better clean-up methodologies. Specifically, photooxidation from sunlight has been indicated as a primary source of weathering of spilled fossil fuels. This process increases the oxygen content of hydrocarbons, which leads to an increase in its interaction with water. This can lead to the formation of emulsions, which were observed in the Gulf of Mexico after DWH and made clean-up more difficult, due to their resistance to dispersants. Extensive photooxidation of petroleum has been shown to cause dissolution in water; the production of water-soluble hydrocarbons can harm ecosystems due to their likely toxicity. Furthermore, asphaltenes, the alkane-insoluble fraction of crude oil, have high oxygen content before photooxidation, and therefore are especially important in the formation of emulsions and water-soluble species through photochemical reactions. Asphaltenes are comprised of highly aromatic structures which can undergo photooxidation and photofragmentation to produce abundant water-soluble compounds; moreover, these compounds make up a large portion of materials extensively used in the built environment, such as road asphalt and roofing tiles. Chapter 1 provides an introduction to FT-ICR MS and explains why it is crucial for analysis of petroleum. Chapter 2 discusses the identification of ketones as photooxidation products from petroleum in laboratory studies and DWH field samples; aromatic ketones are of interest due to their demonstrated toxicity in animals. In Chapter 3, the effect of sulfur-containing compounds on photochemistry of light and heavy crude oils is compared; sulfur species (e.g. sulfides) are known for their toxicity and are thus important to understanding environmental impacts in spills. Chapter 4 expands studies to determine the role of molecular structure in the formation of oil- and water-soluble photoproducts through the isolation and solar irradiation of compounds with varying numbers of aromatic rings. Chapter 5 demonstrates how advanced ion isolation methods coupled with MS/MS can provide structural information about asphaltenes from petroleum and coal, which is central to understanding the role of molecular structure in the production of water-soluble compounds. Thus, Chapter 6 covers the effect of asphaltene structure on the molecular composition of the photooxidation products. Asphaltene samples enriched with different structural motifs, island vs. archipelago, were photoirradiated. The results demonstrate that only archipelago structures contribute to the significant production of water-soluble compounds. The leachable photoproducts formed through solar irradiation of road asphalt are described in Chapter 7. Finally, it is important to highlight that petroleum photooxidation increases the concentration of interfacial material (IM). IM consists of highly oxygenated compounds that interact strongly with water and therefore contribute to emulsion formation / stability in the environment as well as refinery processes. Chapter 8 identifies emulsion-promoting compounds and investigates improved methodologies for the isolation of these species from petroleum and field samples.