Chemistry Commons^™

The Investigation Of The Low Temperature Combustion Of Mesitylene And Tert-Amyl Methyl Ether By Synchrotron Photoionization Mass Spectrometry, Martin Yu-Hin Ng

Master's Theses

This thesis describes the combustion experiments performed at the Chemical Dynamics Beamline of the Advanced Light Source (ALS) located at the Lawrence Berkeley National Laboratories (LBNL). The need for renewable fuel sources, the need for the study of their combustion in the contexts of homogenous charge combustion ignition (HCCI) engines can be found in Chapter 1. The components of the experimental set-up used throughout this thesis—time-of-flight mass spectrometer, Excimer laser, vacuum pumps and other components—and the components of ALS responsible in synchrotron radiation generation and processing—the linear accelerator, the booster ring, insertion devices, gas filters and monochromator are explained in …

Nanodiamond Extraction At A Potential Impact Location, Joel Kathan

DePaul Discoveries

Meteoritic or cometary impacts create the temperature and pressure conditions necessary to form nanodiamonds (NDs). The presence of extracted NDs from rocks of the time and locations of extinctions, fires, or known environmental changes are commonly used to confirm that a theorized cosmic impact occurred to trigger those events. Samples were obtained from an archeological site described in the Old Testament of the Bible as having been destroyed by the God of the Old Testament.† To see if the historical description of Biblical events might have been triggered by a cometary impact or explosion, an attempt was made to …

Diol-Mediated Versus Water-Mediated Proton Transfer Reactions, Angela Moses

DePaul Discoveries

The triple-proton-transfer reactions of 8H-1,8-naphthyridin-2-one (8H-naph) have been investigated by employing different ab initio quantum mechanical methods. The proton transfer reactions studied were facilitated through an adjacent 1,3-propanediol molecule or two adjacent water molecules. Identical proton transfer reactions were studied using a model system of 8H-naph to investigate the validity of computational approaches that use model systems to study more complex systems. The solvent effects on the structures were investigated for comparison to the initial gas phase calculations. The potential energy, reaction force, and work profiles were studied along the intrinsic reaction coordinate to monitor the developing proton transfer reactions.

Do Oaks With A Provenance Related To Warmer Climates Emit More Isoprene?, Elizabeth Carter

DePaul Discoveries

The hydrocarbon isoprene plays an important role in atmospheric chemistry, particularly in regards to air pollution and climate change. It is important to know why certain plant species emit isoprene and what factors affect its production in order to predict future air quality. Past research has indicated that isoprene aids in coping with heat stress, so it was hypothesized that source latitude (a proxy for climate) would significantly impact isoprene production by oaks grown in a common location. Twelve bur oaks collected from a latitudinal range (30-45˚) and raised at the Morton Arboretum were assayed for their isoprene emission rate …

Dipole Strength Distributions From Higs Experiments, V. Werner, N. Cooper, P. M. Goddard, P. Humby, R. S. Ilieva, G. Rusev, J. Beller, C. Bernards, B. P. Crider, J. Isaak, J. H. Kelley, E. Kwan, B. Löher, E. E. Peters, N. Pietralla, C. Romig, D. Savran, M. Scheck, A. P. Tonchev, W. Tornow, Steven W. Yates, M. Zweidinger

Chemistry Faculty Publications

A series of photon scattering experiments has been performed on the double-beta decay partners ⁷⁶Ge and ⁷⁶Se, in order to investigate their dipole response up to the neutron separation threshold. Gamma-ray beams from bremsstrahlung at the S-DALINAC and from Compton-backscattering at HIGS have been used to measure absolute cross sections and parities of dipole excited states, respectively. The HIGS data allows for indirect measurement of averaged branching ratios, which leads to significant corrections in the observed excitation cross sections. Results are compared to statistical calculations, to test photon strength functions and the Axel-Brink hypothesis

Descant And Β-Delayed Neutron Measurements At Triumf, V. Bildstein, P. E. Garrett, S. F. Ashley, G. C. Ball, L. Bianco, D. Bandyopadhyay, J. Bangay, B. P. Crider, G. Demand, G. Deng, I. Dillman, A. Finlay, A. B. Garnsworthy, G. Hackman, B. Hadinia, R. Krücken, K. G. Leach, J-P. Martin, Marcus T. Mcellistrem, C. J. Pearson, E. E. Peters, Francisco M. Prados-Estévez, A. Radich, F. Sarazin, C. Sumithrarachchi, C. E. Svensson, J. R. Vanhoy, J. Wong, Steven W. Yates

Chemistry Faculty Publications

The DESCANT array (Deuterated Scintillator Array for Neutron Tagging) consists of up to 70 detectors, each filled with approximately 2 liters of deuterated benzene. This scintillator material o_ers pulse-shape discrimination (PSD) capabilities to distinguish between neutrons and γ-rays interacting with the scintillator material. In addition, the anisotropic nature of n – d scattering allows for the determination of the neutron energy spectrum directly from the pulse height spectrum, complementing the traditional time-of-flight (ToF) information. DESCANT can be coupled either to the TIGRESS (TRIUMF-ISAC Gamma-Ray Escape …

Inelastic Neutron Scattering Studies Of 76Ge And 76Se: Relevance To Elevance To Neutrinoless Double-Β Decay, B. P. Crider, E. E. Peters, T. J. Ross, Marcus T. Mcellistrem, Francisco M. Prados-Estévez, J. M. Allmond, J. R. Vanhoy, Steven W. Yates

Chemistry Faculty Publications

Inelastic neutron scattering measurements were performed at the University of Kentucky Accelerator Laboratory on enriched ⁷⁶Ge and ⁷⁶Se scattering samples. From measurements at incident neutron energies from 2.0 to 4.0 MeV, many new levels were identified and characterized in each nucleus; level lifetimes, transition probabilities, multipole mixing ratios, and other properties were determined. In addition, γ-ray cross sections for the ⁷⁶Ge(n,n′γ) reaction were measured at neutron energies up to 5.0 MeV, with the goal of determining the cross sections of γ rays in 2040-keV region, which corresponds to the region of interest in the neutrinoless double β …

Inelastic Neutron Scattering Studies Of 132,134Xe: Elucidating Structure In A Transitional Region And Possible Interferences For 0vββ Searches, E. E. Peters, T. J. Ross, B. P. Crider, S. F. Ashley, Anagha Chakraborty, M. D. Hennek, Ajay Kumar, S. H. Liu, Marcus T. Mcellistrem, Francisco M. Prados-Estévez, J. S. Thrasher, Steven W. Yates

Chemistry Faculty Publications

Highly enriched (> 99.9%) ¹³²Xe and ¹³⁴Xe gases were converted to solid ¹³²XeF₂ and ¹³⁴XeF₂ and were used as scattering samples for inelastic neutron scattering measurements at the University of Kentucky Accelerator Laboratory (UKAL). Lifetimes of levels up to 3.5MeV in excitation energy in these xenon isotopes were measured using the Doppler-shift attenuation method, allowing the determination of reduced transition probabilities. Gamma rays corresponding to new transitions and levels have been observed. In particular, tentative new excited 0⁺ states and associated decays have been examined in an effort to elucidate the structure of …

“No-Spin” States And Low-Lying Structures In 130Xe And 136Xe, T. J. Ross, E. E. Peters, Anagha Chakraborty, B. P. Crider, Ajay Kumar, S. H. Liu, Marcus T. Mcellistrem, Francisco M. Prados-Estévez, J. R. Vanhoy, Steven W. Yates

Chemistry Faculty Publications

Inelastic neutron scattering on solid ¹³⁰XeF₂ and ¹³⁶XeF₂ targets was utilized to populate excited levels in ¹³⁰Xe and ¹³⁶Xe. When calculating nuclear matrix elements vital to the understanding of double-beta decay, it is important to have a clear understanding of the low-lying level structure of both the parent and daughter nucleus. Of particular relevance to double-beta decay searches are the assignments of 0⁺ states. We show here that in the case of ¹³⁰Xe there are several discrepancies in the adopted level structure. We found that one previous 0⁺ candidate level (1590 …

Studies Of 54,56Fe Neutron Scattering Cross Sections, S. F. Hicks, J. R. Vanhoy, A. J. French, S. L. Henderson, T. J. Howard, R. L. Pecha, Z. C. Santonil, B. P. Crider, S. Liu, Marcus T. Mcellistrem, E. E. Peters, Francisco M. Prados-Estévez, T. J. Ross, Steven W. Yates

Chemistry Faculty Publications

Elastic and inelastic neutron scattering differential cross sections and γ-ray production cross sections have been measured on ^54,56Fe at several incident energies in the fast neutron region between 1.5 and 4.7 MeV. All measurements were completed at the University of Kentucky Accelerator Laboratory (UKAL) using a 7-MV Model CN Van de Graaff accelerator, along with the neutron production and neutron and γ-ray detection systems located there. The facilities at UKAL allow the investigation of both elastic and inelastic scattering with nearly mono-energetic incident neutrons. Time-of-flight techniques were used to detect the scattered neutrons for the differential cross section measurements. …

The Neutron Time-Of-Flight Cross Section Program At The University Of Kentucky - Adventures In Analysis Ii, J. R. Vanhoy, S. F. Hicks, B. C. Combs, B. P. Crider, A. J. French, E. A. Garza, S. L. Henderson, T. J. Howard, S. H. Liu, S. Nigam, R. L. Pecha, E. E. Peters, Francisco M. Prados-Estévez, Marcus T. Mcellistrem, B. J. Rice, T. J. Ross, Z. C. Santonil, L. C. Sidwell, J. L. Steves, Steven W. Yates

Chemistry Faculty Publications

Elastic and inelastic neutron differential cross sections are measured at the University of Kentucky Accelerator Laboratory (www.pa.uky.edu/accelerator/) at incident energies in the fast neutron region. The laboratorys facilities and instrumentation will be described and our measurement and analysis procedures outlined. Many corrections are required for neutron scattering experiments and the analysis utilizes information from many other cross section data sets and model calculations. Exploring and understanding the limitations of the foundational information and procedures are important for controlling the accuracy of the cross section results. We are examining the limitations in neutron detection efficiency, the normalization of (n,n′ …

Surface Plasmon And The Effect Of Coupled Resonances In The Enhancement Of Phonon And Molecular Modes In Semiconductors, Syed Islam

Dissertations, Theses, and Capstone Projects

The presence of surface plasmon resonance in semiconductors is not a typical point of discussion in the research community. While the presence of surface plasmon resonance in metals is widely accepted due to the presence of free electrons in conduction bands, the existence of surface plasmon in semiconductors has been generally ruled out due to the absence of free electrons in conduction bands. In this dissertation, we show that semiconductors are able to support surface plasmon in valence band. We also demonstrate, by using the Mie theory, that semiconductor nanoparticles can be designed so that the surface plasmon can be …

Dynamics And Kinetics Of Singlet Oxygen Mediated Oxidation Of Methionine In The Gas Phase, Hydrated Clusters And Solution, Fangwei Liu

Dissertations, Theses, and Capstone Projects

The reaction between methionine (Met) and electronically excited singlet molecular oxygen (O₂[a¹Δ_g]) has been investigated in a systematic fashion, using a home-built electrospray ionization (ESI) guided-ion-beam tandem mass spectrometer (MS). The study started from probing the reaction dynamics between the isolated protonated/deprotonated methionine ions with ¹O₂ in the gas phase, transited through the same systems micro-solvated with explicit water molecules in gaseous hydrated clusters, and concluded with real-time methionine oxidation kinetics determination in aqueous solution. The reaction products, cross sections, and collision energy dependence were measured by ESI-MS. Density functional theory (DFT) …

Evaluation Of The Feasibility Of Struvite Precipitation From Domestic Wastewater As An Alternative Phosphorus Fertilizer Resource, Amanda R. Bird

Master's Projects and Capstones

Finite phosphate rock ore reserves are estimated to be exhausted in 100 to 150 years. Phosphate rock ore is the single global source material for phosphorus fertilizer production. Once these reserves are gone, agricultural production will be negatively impacted. There are currently no alternative phosphorus resources. However, phosphorus concentrations present in human excrement traveling through domestic wastewater treatment facilities is being disposed of directly to the environment, often resulting in pollution problems. Recovering phosphorus from wastewater with struvite precipitation systems at wastewater treatment plants can alleviate future phosphorus scarcities. Evaluation of phosphorus recovery through struvite precipitation at wastewater treatment plants …

Electrolyte Effects On The Kinetics Of Comproportionation Electron-Transfer Reactions And On Intervalence Charge-Transfer Band Energies Of Binuclear Ruthenium Ammine Complexes, Zhiji Han

Master's Theses

Chapter 1 describes an overview of electron-transfer reactions. The kinetic equations for ET reactions have also been described in detail.

Chapter 2 describes a series of novel kinetic accelerations which deviate strongly from the predictions of the classical Debye-Huckle theory with a range of different added “inert” electrolytes. The greater catalytic effects seen with the heavier halides and other catalytic electrolytes (especially certain dicarboxylates) indicate an important role for hole-transfer superexchange in the ET transition state. The hypothesis of a catalytic ternary association complex, [RuII--X--RuIII] has also been explored by kinetic modeling of the reaction. An increasing ratio of anion-catalyzed …

Furanic Molecules: Multiplexed Synchrotron Photoionization Investigations And Aerosol Studies, Audrey R. Smith

Master's Theses

The oxidation reactions of 2-methylfuran (2MF) and 2-ethylfuran (2EF) initiated by Cl radicals is studied at the low temperatures, in addition to the determination of the absolute photoionization cross-sections of 2EF, 2-acetylfuran, and furfural. These experiments are carried out using synchrotron photoionization mass spectrometry (SPIMS) with an orthogonal time-of-flight spectrometer used for mass analysis at the Advanced Light Source of Lawrence Berkeley National Laboratory. CBS-QB3 calculated adiabatic ionization energies (AIE) agree well with the experimental results and published literature values. Furfural is found to be the dominant product of 2MF oxidation, with 2-acetylfuran and 2-vinylfuran being the dominant products of …

Investigations Of Thioether Generation For S-D-Ribosyl-L-Homocysteine Synthesis, Brendan Corcoran

Master's Theses

Creation of the thioether linkage is a fundamental step for the chemical preparation of the bacterial quorum sensing molecule S-D-ribosyl-L-homocysteine (SRH). Although previous preparations of SRH and its analogues have been reported in the literature, they employ assorted methods with varied results. Therefore, a reassessment of the methodology used for synthetic preparation of the thioether bond in SRH-like molecules is here considered. This work examines four methods of thioether generation following two mechanisms, bimolecular nucleophilic substitution (S_N2) and radical-initiated thiol-ene coupling, in an attempt to generate SRH in a more efficient and reproducible manner. Both mechanisms address …

Mixed Quantum/Classical Approach For Description Of Molecular Collisions In Astrophysical Environments, Alexander Semenov, Dmitri Babikov

Chemistry Faculty Research and Publications

An efficient and accurate mixed quantum/classical theory approach for computational treatment of inelastic scattering is extended to describe collision of an atom with a general asymmetric-top rotor polyatomic molecule. Quantum mechanics, employed to describe transitions between the internal states of the molecule, and classical mechanics, employed for description of scattering of the atom, are used in a self-consistent manner. Such calculations for rotational excitation of HCOOCH₃ in collisions with He produce accurate results at scattering energies above 15 cm^–1, although resonances near threshold, below 5 cm^–1, cannot be reproduced. Importantly, the method remains computationally affordable …

Direct, Biomimetic Synthesis Of (+)-Artemone Via A Stereoselective, Organocatalytic Cyclization, Eric D. Nacsa, Brian C. Fielder, Shannon P. Wetzler, Veerasak Srisuknimit, Jonathan P. Litz, Mary J. Van Vleet, Kim Quach, David A. Vosburg

All HMC Faculty Publications and Research

We present a four-step synthesis of (+)-artemone from (–)- linalool, featuring iminium organocatalysis of a doubly diastereoselective conjugate addition reaction. The strategy follows a proposed biosynthetic pathway, rapidly generates stereochemical complexity, uses no protecting groups, and minimizes redox manipulations.

Investigation Of Oxidopyrylium-Alkene [ 5 +2 ] Cycloaddition Conjugate Addition Cascades And Extension To Chiral Auxiliary-Based Variants, Chunyin Marshall Law

Theses and Dissertations

Oxidopyrylium-based [5+2] cycloadditions have been extensively utilized to construct oxabridged seven-membered ring systems that often serve as the core structures in numerous biologically active natural products. By investigating these processes, we hope to reveal the highest potentials of [5+2] cycloaddition as a synthetic tool.

A novel oxidopyrylium-alkene [5+2] cycloaddition conjugate addition cascade (C3) sequence, which allows rapid build-up of molecular complexity with excellent diastereocontrol, was investigated. The scope and limitation of this process were explored as mixed results were shown for various acetoxypyranone-alkene substrates. In addition, oxidopyrylium [5+2] cycloadditions of ï?¢-silyloxy-ï?§-pyrones were investigated which revealed the accelerating role of carbonyl …

Quechers (Quick, Easy, Cheap, Effective, Rugged, And Safe) Extraction – Gas Chromatography For The Analysis Of Drugs, Michelle L. Schmidt

Seton Hall University Dissertations and Theses (ETDs)

QuEChERS (Quick, Easy, Cheap, Effective, Rugged, and Safe) is an extraction technique developed by Anastassiades and co-workers initially for the extraction of veterinary drugs from animal tissue. Since its inception, it was discovered that this method is particularly adept for the extraction of polar and basic compounds, thus the majority of research previously performed using QuEChERS involves the extraction of pesticides from various matrices, especially fruits, vegetables, and other food products. Combining a liquid-liquid extraction (LLE) and a dispersive solid phase extraction (d-SPE) clean up, QuEChERS provides a clean sample for analysis by gas chromatography (GC) or liquid chromatography (LC) …

Monitoring Dissolution Of Nonsteroidal Anti-Inflammatory Drugs Using Infrared Spectroscopy, Julianne Berger

Seton Hall University Dissertations and Theses (ETDs)

A comparison study was conducted to look at the formulation of three brands of naproxen sodium. These brands included Bayer Aleve ®, CVS All Day Pain Relief and Walgreens All Day Pain Relief. The active and inactive ingredients were the same yet the size and shape of the tablets differ among the three brands. S-naproxen was extracted from the tablets and evaluated by GC-MS to determine the purity of naproxen in the tablets. Dissolution was monitored by an IR probe for eight hours while using 0.1M phosphate buffer pH 7.4, 0.05M phosphate buffer pH 4.5 and simulated gastric fluid pH …

A Study Whether Humans Can Produce Free Fatty Acids For Tasting, Emily Bacher

Student Scholarship

A growing concern throughout the world, especially the United States, is the health of our population. According to the National Health and Nutrition Examination Survey (NHANES) performed in 2009-2010, approximately 35% of both men and women in the United States are obese (Flegal, 2012). In 2005, more than 300,000 deaths in the United States were attributed to obesity. However, the World Health Organization listed obesity as one of ten most preventable health risks (Wilborn, 2005).
Why, then, do we as a society struggle so much with our weight? Some, such as Swinburn, believe this trend of obesity can be attributed …

Development And Application Of Mass Spectrometry-Based Biophysical Approaches, Ying Zhang

Arts & Sciences Graduate Student Theses and Dissertations

Mass spectrometry (MS)-based biophysical approaches are new "tools" for protein characterization owing to its capability to analyze proteins and protein complexes that range in molecular weight from kDa to MDa. Protein characterization requires more than identifying the primary structure. More importantly, protein high order structures (i.e., secondary, tertiary and quaternary structures) are needed for biological studies. MS has become the major tool in studies of protein primary structure and post translational modifications (PTMs) over the past two decades. Because MS has high sensitivity and fast turnaround, more and more biophysical approaches rely on MS to generate information for protein higher …

An Unprecedented Nadph Domain Conformation In Lysine Monooxygenase Nbtg Provides Insights Into Uncoupling Of Oxygen Consumption From Substrate Hydroxylation, Claudia Binda, Reeder M. Robinson, Julia S. Martin Del Campo, Nicholas D. Keul, Pedro J. Rodriguez, Howard H. Robinson, Andrea Mattevi, Pablo Sobrado

Chemistry Faculty Research & Creative Works

N-Hydroxylating monooxygenases are involved in the biosynthesis of iron-chelating hydroxamate-containing siderophores that play a role in microbial virulence. These flavoenzymes catalyze the NADPH-and oxygen-dependent hydroxylation of amines such as those found on the side chains of lysine and ornithine. In this work we report the biochemical and structural characterization of Nocardia farcinica Lys monooxygenase (NbtG), which has similar biochemical properties to mycobacterial homologs. NbtG is also active on D-Lys, although it binds L-Lys with a higher affinity. Differently from the ornithine monooxygenases PvdA, SidA, and KtzI, NbtG can use both NADH and NADPH and is highly uncoupled, producing more superoxide …

Synthesis, Structure, Spectroscopy, And Reactivity Of Azapentadienyl-Ruthenium-Phosphine Complexes, Meghan Leigh Stouffer

Arts & Sciences Graduate Student Theses and Dissertations

This dissertation focuses on the systematic synthesis of ¬bis-azapentadienyl-ruthenium-phosphine complexes. The synthetic approach involves the treatment of Cl2Ru(PPh3)3 with potassium tert-butylazapentadienide reagent. The reactivity of this parent compound with other 2e- donor ligands is investigated. These resultant complexes' reactivity with triflic acid is also studied.Treatment of Cl2Ru(PPh3)3 with potassium tert-butylazapentadienide produces [(1,2,3-η3)-5-tert-butylazapentadienyl]2Ru(PPh3)2 (1). Compound 1 undergoes single substitution of one of the triphenylphosphines when treated with PMe3, dmpe, P(OMe)3, CNCMe3, CO, and PEt3 at room temperature, resulting in [(1,2,3-η3)-5-tert-butylazapentadienyl]2Ru(PPh3)(L) (2, L = PMe3; 3, L= dmpe; 4, L = P(OMe)3; 5, L = CNCMe3; 6, L = CO; 7, L …

Benzo-Fused Lactams From A Diversity-Oriented Synthesis (Dos) Library As Inhibitors Of Scavenger Receptor Bi (Sr-Bi)-Mediated Lipid Uptake, Chris Dockendorff, Patrick W. Faloon, Jun Pu, Miao Yu, Stephen Johnston, Melissa Bennion, Marsha Penman, Thomas J.F. Nieland, Sivaraman Dandapani, José R. Perez, Benito Munoz, Michelle A. Palmer, Stuart L. Schreiber, Monty Krieger

Chemistry Faculty Research and Publications

We report a new series of 8-membered benzo-fused lactams that inhibit cellular lipid uptake from HDL particles mediated by Scavenger Receptor, Class B, Type I (SR-BI). The series was identified via a high-throughput screen of the National Institutes of Health Molecular Libraries Small Molecule Repository (NIH MLSMR), measuring the transfer of the fluorescent lipid DiI from HDL particles to CHO cells overexpressing SR-BI. The series is part of a previously reported diversity-oriented synthesis (DOS) library prepared via a build-couple-pair approach. Detailed structure–activity relationship (SAR) studies were performed with a selection of the original library, as well as additional analogs prepared …

New Dion-Jacobson And Ruddlesden- Popper Layered Perovskites Prepared By Topochemical Methods, Dariush Montasserasadi

LSU New Orleans Theses and Dissertations

Layered perovskites can be classified in three major groups: Dion-Jacobson AA′_n-1B_nO_3n+1, Ruddlesden-Popper A₂A′_n-1B_nO_3n+1,and Aurivillius phase (Bi₂O₂)A′_n-1B_nO_3n+1. (A: Alkali metal, Alkali-earth metal; A′: Lanthanides and Bi; B: Ti, Nb, Ta; n: thickness of slabs). For more than two decades researchers have shown much interest in this series because of their magnetic and electrical properties. Tuning synthesis parameters such as temperature, time, and host structure can be used to direct such properties. Low temperature synthetic methods (topochemical methods) allow …

Surface-Engineered Magnetic Nanoparticles For Sample Preparation And Analysis Of Proteins And Peptides, Parisa Pirani

LSU New Orleans Theses and Dissertations

Sample preparation as an essential step in mass spectrometry-based analysis, plays a critical role in proteomics studies. Magnetic nanoparticles (MNPs) have been widely used in protein and peptide sample preparation due to their magnetic properties, biocompatibility, easy synthesis and surface functionalization. MNPs loaded with analyte or analyte modification reagent can be easily separated from the reaction medium by an externally applied magnetic field. The small size of MNPs provides high analyte loading and extraction capacity. Additionally, MNP can be decorated with different functional groups to achieve selective modification or extraction of analyte. In this study we have utilized silica coated …

Mass Spectrometry-Based Strategies For Biomolecular Structure Analysis: Steroid Metabolites Structures And Protein-Protein Interactions, Yuetian Yan

Arts & Sciences Graduate Student Theses and Dissertations

Mass spectrometry is an important method for studying the structure of both small molecules and large biomolecules (e.g., proteins). The majority of the applications prior to 1970 were focused on small molecules, owing to the limited ionization methods which posed difficulties in producing gas-phase ions for large biomolecules then. Beginning in the 1980's, with the introduction of new ionization methods (ESI and MALDI), the applications have gradually switched to biological science measuring large bioorganic molecules. Today, with the developing interest in metabolomics and proteomics, and ongoing improvement in MS-based techniques, mass spectrometry is extensively applied in the study of both …