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Investigating Non-Targeted Screening And Accurate Quantitation Of Trace Surface Water Contaminants Using High-Resolution Mass Spectrometry, Lucas M. Morrison Aug 2018

Investigating Non-Targeted Screening And Accurate Quantitation Of Trace Surface Water Contaminants Using High-Resolution Mass Spectrometry, Lucas M. Morrison

Electronic Thesis and Dissertation Repository

The human impact on surface water is a growing concern and the chemical surveying of contaminants including pharmaceuticals and pesticides is currently lacking. Neonicotinoids in particular, are among the most widely used insecticides that have prompted environmental concern and require monitoring. Chemical contaminants in environmental water samples are commonly analyzed by targeted tandem mass spectrometry. However, this requires a prior knowledge of the contaminants in the area of interest. Here, surface water samples were screened by utilizing optimized data-independent acquisition (DIA) methods and the spectra were databased for future retrospective analysis. This circumvents the requirement for target analytes prior to …


Conformational Dynamics Of Biomolecules By Trapped Ion Mobility Spectrometry Dynamics, Juan Camilo Molano-Arévalo Apr 2018

Conformational Dynamics Of Biomolecules By Trapped Ion Mobility Spectrometry Dynamics, Juan Camilo Molano-Arévalo

FIU Electronic Theses and Dissertations

One of the main goals in structural biology is to understand the folding mechanisms and three-dimensional structure of biomolecules. Many biomolecular systems adopt multiple structures as a function of their microenvironment, which makes them difficult to be characterized by traditional structural biology tools (e.g., NMR, X-ray crystallography). As an alternative, complementary tools that can capture and sample multiple conformations needed to be developed. In the present work, we pioneered the application of a new variant of ion mobility spectrometry, trapped ion mobility spectrometry (TIMS), which provides high mobility resolving power and the possibility to study kinetically trapped intermediates as a …


Discovery And Targeted Monitoring Of Biomarkers Using Liquid Chromatography, Ion Mobility Spectrometry , And Mass Spectrometry, Kendra J. Adams Mar 2018

Discovery And Targeted Monitoring Of Biomarkers Using Liquid Chromatography, Ion Mobility Spectrometry , And Mass Spectrometry, Kendra J. Adams

FIU Electronic Theses and Dissertations

The complexity of biological matrices makes the detection and quantification of compounds of interest challenging. For successful targeted or untargeted identification of compounds within a biological environment, the use of complementary separation techniques is routinely required; in many situations, a single analytical technique is not sufficient. In the present dissertation, a multidimensional analytical technique was developed and evaluated, a combination of new sample preparation/extraction protocols, liquid chromatography, trapped ion mobility and mass spectrometry (e.g., LC-TIMS-MS and LC-TIMS-MS/MS). The performance of these techniques was evaluated for the detection of polybrominated diphenyl ethers metabolites, polychlorinated biphenyls metabolites in human plasma, opioid metabolites …


A Practical Beginner's Guide To Cyclic Voltammetry, Noémie Elgrishi, Kelley J. Rountree, Brian D. Mccarthy, Eric S. Rountree, Thomas T. Eisenhart, Jillian L. Dempsey Feb 2018

A Practical Beginner's Guide To Cyclic Voltammetry, Noémie Elgrishi, Kelley J. Rountree, Brian D. Mccarthy, Eric S. Rountree, Thomas T. Eisenhart, Jillian L. Dempsey

Faculty Publications

© 2017 The American Chemical Society and Division of Chemical Education, Inc. Despite the growing popularity of cyclic voltammetry, many students do not receive formalized training in this technique as part of their coursework. Confronted with self-instruction, students can be left wondering where to start. Here, a short introduction to cyclic voltammetry is provided to help the reader with data acquisition and interpretation. Tips and common pitfalls are provided, and the reader is encouraged to apply what is learned in short, simple training modules provided in the Supporting Information. Armed with the basics, the motivated aspiring electrochemist will find existing …


Chemical And Physical Studies Of Charge Transfer Excited States Of Ruthenium Complexes With Aromatic Ligands, Marim Khalifa Alnaed Jan 2018

Chemical And Physical Studies Of Charge Transfer Excited States Of Ruthenium Complexes With Aromatic Ligands, Marim Khalifa Alnaed

Wayne State University Dissertations

The 3MLCT excited states generated from tris-bipyridineruthenium(II), [Ru(bpy)3]2+ and related complexes was ionized by 405 nm irradiation in ambient, acidic aqueous solutions. The photoionization product was Ru(bpy)3]3+ and an electron with a quantum yield of about 0.040.02 in 0.5 M acid. However, 532 nm radiation does not induce photoionization, and it generates the 3MLCT excited state that can be photoionized by 405 nm irradiation. The proton is a very good electron scavenger, and the rate of phoionization of the 3MLCT excited state was determined to be acid dependent and it increased about ten-fold for acid concentrations beween 0.001 and 4 …


Evaluation Of A Small Molecule Agonist Of Epha2 Receptor Tyrosine Kinase And Copalic Acid Analogs As Prostate Cancer Therapeutics, Nethrie Idippily Jan 2018

Evaluation Of A Small Molecule Agonist Of Epha2 Receptor Tyrosine Kinase And Copalic Acid Analogs As Prostate Cancer Therapeutics, Nethrie Idippily

ETD Archive

Project I: Chemotherapeutic drugs have many side effects that are undesirable and are highly toxic. Therefore, there is a growing need for the development of drugs with enhanced efficacy, specificity, and potency to provide cancer patients with a better prognosis. It was discovered that a member of the Receptor Tyrosine Kinase family, EphA2, may prove to be a viable target in developing anti-cancer agents. In the presence of its ligand, EphA2 receptor is responsible for apoptotic and anti-migratory activity. However, in the absence of ligand, EphA2 is able to stimulate cell migration and therefore tumorigenic activity. These conflicting roles of …


Development Of Bioanalytical Methods For Quantitative Measurement Of Anticancer Agents, Sandeep R. Kunati Jan 2018

Development Of Bioanalytical Methods For Quantitative Measurement Of Anticancer Agents, Sandeep R. Kunati

ETD Archive

The ever-growing need to develop new anticancer agents due to increased incidence of cancer and its recurrence has led to a broad range of investigational efforts in anticancer research. Drug discovery and development processes involve evaluations of pharmacokinetic and pharmacodynamic parameters of potential drug candidates in order to assess their safety, toxicity, and efficacy profiles. By providing sensitivity, assay precision, reliability, and high-throughput, mass spectrometry has become an indispensable tool in quantitative and qualitative analysis, from early-stage drug discovery and development processes to routine laboratory analysis. Development of bioanalytical methods requires knowledge of separation science with instrumentation, data interpretation and …


A Broadly Tunable Surface Plasmon-Coupled Wavelength Filter For Visible And Near Infrared Hyperspectral Imaging, Ajaykumar Zalavadia Jan 2018

A Broadly Tunable Surface Plasmon-Coupled Wavelength Filter For Visible And Near Infrared Hyperspectral Imaging, Ajaykumar Zalavadia

ETD Archive

Hyperspectral imaging is a set of techniques that has contributed to the study of advanced materials, pharmaceuticals, semiconductors, ceramics, polymers, biological specimens, and geological samples. Its use for remote sensing has advanced our understanding of agriculture, forestry, the Earth, environmental science, and the universe. The development of ultra-compact handheld hyperspectral imagers has been impeded by the scarcity of small widefield tunable wavelength filters. The widefield modality is preferred for handheld imaging applications in which image registration can be performed to counter scene shift caused by irregular user motions that would thwart scanning approaches. In the work presented here an electronically …


Quantitative Analysis Of Bleomycin In Rat Plasma By Lc-Ms/Ms, Huawen Li Jan 2018

Quantitative Analysis Of Bleomycin In Rat Plasma By Lc-Ms/Ms, Huawen Li

ETD Archive

Bleomycin is the most commonly used compound in its group of antineoplastic drugs. It works on tumor cells by single and double stranded DNA cleavage after its activation, in which it blocks tumor cells’ DNA replication or transcription activities to inhibit tumor cells’ growth. Bleomycin sulfate (Blenoxane) is the most popular preparation used in clinical research, and contains Bleomycin fractions of A2 and B2, which causes difficulties in quantitative analysis. This work uses the metal chelating property of Bleomycin as an advantage to simplify and improve sensitivity of existing quantitative methods. Copper was spiked in excess to plasma samples, followed …


The Separation Of The Polar Constituents Of Petroleum, William Robson Jan 2018

The Separation Of The Polar Constituents Of Petroleum, William Robson

School of Geography, Earth and Environmental Sciences Theses

Identification of the heteroatom (nitrogen, sulphur, and oxygen; NSO)-containing compounds of petroleum is of key importance when considering industrial and environmental issues associated with crude oil production. The inherent molecular complexity of petroleum is such that detailed compositional investigations must ideally be preceded by some form of pre-fractionation. However, the more commonly performed methods of crude oil fractionation are often insufficient in the extent to which they separate oils, not allowing defined “molecular” fractions to be obtained and thus hindering more detailed investigations. The following work therefore focused on the development of chromatographic methods to aid in the characterisation of …