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ION MOBILITY AND GAS-PHASE COVALENT LABELING STUDY OF THE STRUCTURE AND REACTIVITY OF GASEOUS UBIQUITIN IONS ELECTROSPRAYED FROM AQUEOUS AND DENATURING SOLUTIONSVeronica Vale Carvalho (11820650) 07 January 2022 (has links)
Gas-phase ion/ion covalent modification was coupled to ion mobility/mass spectrometry
analysis to directly correlate the structure of gaseous ubiquitin to its solution structures with
selective covalent structural probes. Collision cross section (CCS) distributions were measured
prior to ion/ion reactions to ensure the ubiquitin ions were not unfolded when they were introduced
to the gas phase. Ubiquitin ions were electrosprayed from aqueous and methanolic solutions
yielding a range of different charge states that were analyzed by ion mobility and time-of-flight
mass spectrometry. Aqueous solutions stabilizing the native state of ubiquitin generated folded
ubiquitin structures with CCS values consistent with the native state. Denaturing solutions favored
several families of unfolded conformations for most of the charge states evaluated. Gas-phase
covalent labeling via ion/ion reactions was followed by collision induced dissociation of the intact,
labeled protein to determine which residues were labeled. Ubiquitin 5+
and 6+
electrosprayed from
aqueous solutions were covalently modified preferentially at the lysine 29 and arginine 54 residues,
indicating that elements of secondary structure as well as tertiary structure were maintained in the
gas phase. On the other hand, most ubiquitin ions produced in denaturing conditions were labeled
at various other lysine residues, likely due to the availability of additional sites following methanol
and low pH-induced unfolding. These data support the conservation of ubiquitin structural
elements in the gas phase. The research presented here provides the basis for residue-specific
characterization of biomolecules in the gas phase
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Multidimensional Mass Spectrometry of Amphiphilic SystemsAlexander, Nicolas Edward 21 September 2018 (has links)
No description available.
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Microstructure Characterization of Polymers and Polymer-Protein Bioconjugates by Hyphenated Mass SpectrometryGerislioglu, Selim 05 October 2018 (has links)
No description available.
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Development of gerdien condenser for atmospheric pressure plasmas / 大気圧プラズマ診断用ゲルディエンコンデンサの開発 / タイキアツ プラズマ シンダンヨウ ゲルディエン コンデンサ ノ カイハツラクダン マカミール コラレス, Ma Camille Corrales Lacdan 22 March 2017 (has links)
プラズマ診断は,プラズマプロセス中の荷電粒子の役割を理解する上で重要である.しかしながら,一般的なプラズマ診断は低圧の場合に限られているため,大気圧プラズマの特性を把握するためには新たな診断技術の開発が必要である.本論文では,ゲルディエンコンデンサーを用いた大気圧プラズマ診断を提案し,実用上十分な性能を有すことを実証した内容について報告している.さらに測定に影響を及ぼす要因についても調査した. / Plasma diagnostics plays an important part in understanding the role of charged particles during plasma processes. However, since common plasma diagnostic techniques are limited to low-pressure case, there is a need for the development of a new diagnostic method specifically for atmospheric pressure plasma characterization. In this dissertation, a diagnostic technique based on the Gerdien condenser theory is developed for laboratory-produced atmospheric pressure plasma. The Gerdien condenser, which is a classical instrument employed in atmospheric science, is capable in measuring the ion mobility and density from an obtained current-voltage characteristic. The factors that can affect the measurements are also investigated. / 博士(工学) / Doctor of Philosophy in Engineering / 同志社大学 / Doshisha University
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Mass Spectrometry Interfaced with Ion Mobility or Liquid Chromatography Separation for the Analysis of Complex MixturesSmiljanic, Danijela 06 December 2011 (has links)
No description available.
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Novel Applications of Mass Spectrometry on Synthetic Polymeric MaterialsScionti, Vincenzo 02 May 2012 (has links)
No description available.
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Real-Time Wavelet Compression and Self-Modeling Curve Resolution for Ion Mobility SpectrometryChen, Guoxiang 28 April 2003 (has links)
No description available.
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Forensic and Proteomic Applications of Thermal Desorption Ion Mobility Spectrometry and Matrix-Assisted Laser Desorption/Ionization Time-of-Flight Mass SpectrometryOchoa, Mariela L. 19 April 2005 (has links)
No description available.
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Investigation of Collision Cross Sections & Time-Resolved Structural Modification of Biomolecules, Host-Guest Systems, & Small Molecules Using Ion Mobility & Fourier Transform Ion Cyclotron Resonance Mass SpectrometryMismash, Noah 06 June 2024 (has links) (PDF)
This thesis explores the structures and structural changes of supramolecular host-guest systems, proteins, and other small molecules in the gas phase, utilizing a combination of computational modeling and experimental data. The primary instruments employed were a Fourier transform ion cyclotron resonance mass spectrometer (FTICR-MS) and an ion mobility mass spectrometer (IM-MS). In the IM-MS experiments, the focus was on investigating the binding behavior of cyclodextrin macrocycles—specifically α, β, and γ-cyclodextrin—with per-fluoroalkane substances (PFAS), which are pervasive environmental contaminants. This investigation involved measuring ion-neutral collision cross sections and using computational modeling to determine whether PFAS compounds bind inside or outside the cyclodextrin cavity. The results indicate that only β-cyclodextrin binds PFAS compounds internally, attributed to its seven-fold symmetry and the localized hydrogen bonding network across the macrocycle's secondary face. Conversely, α and γ-cyclodextrin appear to favor collapsing inward, enhancing internal hydrogen bonding while keeping the PFAS bound externally. The FTICR-MS instrument was used for time-resolved CRAFTI (TR-CRAFTI) collision cross section measurements on various systems, including tetraalkylammoniums (TAA), cytochrome C, and β-cyclodextrin host-guest complexes. This involved activating gas-phase ions using sustained off-resonance irradiation (SORI) activation, followed by a variable delay for collisional cooling. Subsequently, a CRAFTI measurement was conducted to obtain a timeresolved view of the collision cross section. Initial findings suggest the feasibility of measuring and modeling structural changes post-activation over varying time scales, ranging from approximately 100 milliseconds to 10 seconds, depending on the size and complexity of the system being studied.
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DEVELOPMENTS AND APPLICATIONS IN AMBIENT MASS SPECTROMETRY IMAGING FOR INCREASED SENSITIVITY AND SPECIFICITYDaniela Mesa Sanchez (14216684) 06 December 2022 (has links)
<p> Mass spectrometry imaging (MSI) is an advanced analytical technique that renders spatially defined images of complex label-free samples. Nanospray desorption electrospray ionization (nano-DESI) MSI is an ambient ionization direct liquid extraction technique in which analytes are extracted by means of a continuous liquid flow between two fused-silica capillaries. The droplet generated between the two capillaries is controlled by a delicate balance of solvent flow, solvent aspiration, capillary angles, and distance from the surface. This technique produces reproducible ion images with up to 10 µm resolution and can be used to identify and quantify multiple analytes on a given surface. This thesis discusses some of the applications of this technique to biological systems, as well as the work done to develop methodology to further improve this technique’s specificity and sensitivity. Herein, applications that push the limits of the current capabilities of nano-DESI are presented, such as the high-resolution imaging of lipid species in skeletal muscle at the single-fiber level, and the quantification of low-abundance drug metabolites. The second theme of this thesis, developing new capabilities, introduces ion mobility mass spectrometry imaging. This integrated technique increases the selectivity previously possible with MSI. To support these efforts, the work in this thesis has generated data analysis workflows that not only make these experiments possible but also further endeavor to increase sensitivity and combat instrument limitations on mobility resolution. Finally, this thesis present streamlined workflows for tandem MS experiments and modifications to a recently introduced microfluidic variant of the nano-DESI technique. In all, this thesis showcases the current capabilities of the nano-DESI technique and lays the groundwork for future improvements and capabilities. </p>
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