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Photocatalytic Activity: Experimental Features To Report In Heterogeneous Photocatalysis, Md. Ariful Hoque, Marcelo I. Guzman 2018 University of Kentucky

Photocatalytic Activity: Experimental Features To Report In Heterogeneous Photocatalysis, Md. Ariful Hoque, Marcelo I. Guzman

Chemistry Faculty Publications

Heterogeneous photocatalysis is a prominent area of research with major applications in solar energy conversion, air pollution mitigation, and removal of contaminants from water. A large number of scientific papers related to the photocatalysis field and its environmental applications are published in different journals specializing in materials and nanomaterials. However, many problems exist in the conception of papers by authors unfamiliar with standard characterization methods of photocatalysts as well as with the procedures needed to determine photocatalytic activities based on the determination of “apparent quantum efficiencies” within a wavelength interval or “apparent quantum yields” in the case of using monochromatic ...


Hydrogen-Deuterium Exchange Mass Spectrometry And Molecular Dynamics Simulations For Studying Protein Structure And Dynamics, Yiming Xiao 2018 The University of Western Ontario

Hydrogen-Deuterium Exchange Mass Spectrometry And Molecular Dynamics Simulations For Studying Protein Structure And Dynamics, Yiming Xiao

Electronic Thesis and Dissertation Repository

Deciphering properties of proteins are essential for human health and aiding in the development of new pharmaceuticals. This dissertation uses hydrogen-deuterium exchange (HDX) mass spectrometry (MS) and molecular dynamics (MD) simulations to study protein dynamics, for improving the understanding of protein folding/unfolding mechanisms, and ligand binding and allosteric regulation.

Chapter 2 uses HDX-MS for probing the conformational dynamics of myoglobin in the presence of N2 bubbles. We propose a dynamic model that reproduces the observed data: “semi-unfolded” “native” “globally unfolded” -> “aggregated”. Chapter 3 focuses on osteoprotegerin (OPG), which hinders bone resorption by inhibiting RANK/RANKL interactions. The dimerization ...


Mechanism Of Protein Charging And Supercharging In Electrospray Ionization: Molecular Dynamics Simulations And Experimental Investigations, Haidy S. Metwally 2018 The University of Western Ontario

Mechanism Of Protein Charging And Supercharging In Electrospray Ionization: Molecular Dynamics Simulations And Experimental Investigations, Haidy S. Metwally

Electronic Thesis and Dissertation Repository

Electrospray ionization mass spectrometry (ESI-MS) is a powerful technique for investigating protein structures, conformations, and interactions. Despite its widespread use, many fundamental aspects of ESI remain poorly understood. In this thesis, we use a combination of molecular dynamics (MD) simulations and experiments to gain insights into the hidden complexities of ESI-MS.

Chapter 2 discusses the topic of salt-induced protein signal degradation. Salts such as NaCl, CsCl, and tetrabutyl ammonium chloride (NBu4Cl) interfere with MS data acquisition, leading to adduct formation and signal suppression. MD simulations provide an explanation for these salt interferences. Signal suppression can be broken down ...


An Overview Of Dynamic Heterogeneous Oxidations In The Troposphere, Elizabeth A. Pillar-Little, Marcelo I. Guzman 2018 University of Kentucky

An Overview Of Dynamic Heterogeneous Oxidations In The Troposphere, Elizabeth A. Pillar-Little, Marcelo I. Guzman

Chemistry Faculty Publications

Due to the adverse effect of atmospheric aerosols on public health and their ability to affect climate, extensive research has been undertaken in recent decades to understand their sources and sinks, as well as to study their physical and chemical properties. Atmospheric aerosols are important players in the Earth’s radiative budget, affecting incoming and outgoing solar radiation through absorption and scattering by direct and indirect means. While the cooling properties of pure inorganic aerosols are relatively well understood, the impact of organic aerosols on the radiative budget is unclear. Additionally, organic aerosols are transformed through chemical reactions during atmospheric ...


Characterization And Quantification Of Covalent Modification Of Proteins Using Mass Spectrometry, Pratikkumar N. Rathod 2018 The Graduate Center, City University of New York

Characterization And Quantification Of Covalent Modification Of Proteins Using Mass Spectrometry, Pratikkumar N. Rathod

All Dissertations, Theses, and Capstone Projects

Identification and characterization of various post-translational modifications of protein is a key to understanding many unknown cellular processes. In the last few decades, mass spectrometry has evolved as an essential and effective analytical tool for qualitative and quantitative analysis of proteins. In this research, we have developed a novel MALDI-MS2 based quantification method for Desmosine and Isodesmosine, which served as cross-linking amino acids of elastin, in order to measure the elastin degradation in the body. This is the first quantification method that not only illustrates the potential of MALDI-Ion Trap MS2, but also improvement over the current LC-MS ...


Determination Of Polar Solvents By Static Headspace Extraction – Gas Chromatography (She-Gc), Michael Sithersingh 2018 Seton Hall University

Determination Of Polar Solvents By Static Headspace Extraction – Gas Chromatography (She-Gc), Michael Sithersingh

Seton Hall University Dissertations and Theses (ETDs)

ABSTRACT

The term “headspace” is defined as the vapor that forms above or around a liquid or solid sample in a closed container. Usually, the vapor is above the liquid or solid at the top of the container, hence the term headspace. Headspace sampling is a method for separating volatile materials that may be extracted from a more solid sample matrix and then analyzed using gas chromatography. Headspace extraction refers to the collection and analysis of the vapor phase in the container. The Static Headspace Extraction – Gas Chromatography (SHE-GC) technique has been used since the early days of Gas Chromatography ...


Enhanced Acidity Of Acetic And Pyruvic Acids On The Surface Of Water, Alexis J. Eugene, Elizabeth A. Pillar, Agustín J. Colussi, Marcelo I. Guzman 2018 University of Kentucky

Enhanced Acidity Of Acetic And Pyruvic Acids On The Surface Of Water, Alexis J. Eugene, Elizabeth A. Pillar, Agustín J. Colussi, Marcelo I. Guzman

Chemistry Faculty Publications

Understanding the acid–base behavior of carboxylic acids on aqueous interfaces is a fundamental issue in nature. Surface processes involving carboxylic acids such as acetic and pyruvic acids play roles in (1) the transport of nutrients through cell membranes, (2) the cycling of metabolites relevant to the origin of life, and (3) the photooxidative processing of biogenic and anthropogenic emissions in aerosols and atmospheric waters. Here, we report that 50% of gaseous acetic acid and pyruvic acid molecules transfer a proton to the surface of water at pH 2.8 and 1.8 units lower than their respective acidity constants ...


Immobilization Of Gold Nanoparticles On Nitrided Carbon Fiber Ultramicroelectrodes By Direct Reduction, George Affadu-Danful 2018 East Tennessee State University

Immobilization Of Gold Nanoparticles On Nitrided Carbon Fiber Ultramicroelectrodes By Direct Reduction, George Affadu-Danful

Electronic Theses and Dissertations

Due to enhanced properties such as large surface area-to-volume ratio, metal nanoparticles are often employed as catalysts for various applications. However, most studies involving nanoparticle catalysts have been conducted on collections of particles rather than single nanoparticles. Results obtained for ensemble systems can be difficult to interpret due to variations in particle loading and interparticle distance, which are often challenging to control and characterize. In this study, two immobilization strategies for incorporating gold nanoparticles (AuNPs) on carbon fiber ultramicroelectrodes (UMEs) were compared with the goal of extending these techniques to nanoelectrodes for studies of single AuNPs. Both layer-by-layer deposition of ...


Comparing Laser Assisted Pulling And Chemical Vapor Deposition Methods In The Fabrication Of Carbon Ultramicro- And Nanoelectrodes, Theophilus Neequaye 2018 East Tennessee State University

Comparing Laser Assisted Pulling And Chemical Vapor Deposition Methods In The Fabrication Of Carbon Ultramicro- And Nanoelectrodes, Theophilus Neequaye

Electronic Theses and Dissertations

Ultramicroelectrodes (UMEs) (limiting dimensions <~25 μm) and nanoelectrodes (<~100 nm) exhibit enhanced electrochemical properties compared to macroscopic electrodes. Their small sizes and enhanced properties make them well-suited for various interesting and important applications such as measuring redox-active species in nonaqueous solvents, studying intermediates of fast electrochemical reactions, and investigating electrochemical and electrocatalytic properties of single nanoparticles. While UMEs are commercially available, nanoelectrode fabrication is still largely confined to research labs. Various methods for constructing nanoelectrodes have been reported and continue to be developed, but most require considerable expertise, and comparisons between different fabrication processes are lacking. In this work, a comparison of laser-assisted pulling and chemical vapor deposition (CVD) methods of electrode fabrication is made with the aim of optimizing production of carbon nanoelectrodes for single nanoparticle electrochemical measurements. By examining effects of pulling parameters, post-pulling treatments, and CVD processing, electrodes as small as ~50 nm were successfully produced.


Hydrolysis Of Cellulose And Biomass Using Blue Molybdenum, Farouk Awudu 2018 East Tennessee State University

Hydrolysis Of Cellulose And Biomass Using Blue Molybdenum, Farouk Awudu

Electronic Theses and Dissertations

Hydrolysis of cellulosic biomass is an important and ongoing subject of research due to generating precursors for biofuel synthesis. This work involves hydrolysis of microcrystalline cellulose and Arundo donax to glucose. Methods for acid hydrolysis include the use of sulfuric acid, phosphomolybdic acid, blue molybdenum using low concentrations at 40-100 °C. For comparison purposes, enzymatic hydrolysis was also carried out using cellulase. Products were quantified by measuring total organic carbon and reducible sugars using dinitrosalicylic acid. Use of phosphomolybdic acid, blue molybdenum and sulfuric acid even at 6.0 M did not increase the amount of glucose compared to using ...


3d-Printed Fluidic Devices And Incorporated Graphite Electrodes For Electrochemical Immunoassay Of Biomarker Proteins, Abdulhameed Alabdulwaheed 2018 East Tennessee State University

3d-Printed Fluidic Devices And Incorporated Graphite Electrodes For Electrochemical Immunoassay Of Biomarker Proteins, Abdulhameed Alabdulwaheed

Electronic Theses and Dissertations

Biomarkers are measurable indicators of health status or disease state that can be used for diagnosis and may help guide patient treatment strategies. Enzyme-linked immunosorbent assays (ELISA) and other many clinical techniques currently used for measuring biomarker proteins lack sensitivity, demand high analysis cost, are often not well-suited for measuring multiple biomarkers in a single sample, and require long analysis times. Here, we demonstrate simple, low-cost 3D-printed flow-through devices with integrated electrodes modified with gold nanoparticles (AuNPs) for electrochemical immunoassays of S100B, a biomarker protein related to conditions like skin cancer and brain injuries. Flow-through devices are fabricated from photocurable-resin ...


Manganese Oxide/Hemin-Functionalized Graphene As A Platform For Peroxynitrite Sensing, Haitham F. Kalil, Shaimaa Maher, Tiyash Bose, Mekki Bayachou 2018 Cleveland State University

Manganese Oxide/Hemin-Functionalized Graphene As A Platform For Peroxynitrite Sensing, Haitham F. Kalil, Shaimaa Maher, Tiyash Bose, Mekki Bayachou

Chemistry Faculty Publications

Peroxynitrite (ONOO−, PON) is a powerful oxidizing agent generated in vivo by the diffusion-limited reaction of nitric oxide (NO) and superoxide (O2˙) radicals. Under oxidative stress, cumulated peroxynitrite levels are associated with chronic inflammatory disorders and other pathophysiological conditions. The accurate detection of peroxynitrite in biological systems is important, not only to understand the genesis and development of diseases, but also to explore and design potential therapeutics. Herein, a manganese oxide/hemin-modified graphene interface is explored as a platform for peroxynitrite amperometric detection. Hemin-functionalized reduced graphene oxide was further modified with manganese oxide nanoparticles to provide a composite material ...


Novel Relative Spontaneous Ignition Temperature Determination Using Carbon Dioxide Onset With Sta/Ir, Antonio David Trevino 2018 Stephen F. Austin State University

Novel Relative Spontaneous Ignition Temperature Determination Using Carbon Dioxide Onset With Sta/Ir, Antonio David Trevino

Electronic Theses and Dissertations

Simultaneous thermal analysis, coupled with infrared spectroscopy (STA/IR), was utilized to monitor the evolution of gaseous products during the thermal degradation of samples from Triadica sebifera (Chinese tallow), Ligustrum sinense (Chinese privet), and Ilex vomitoria (yaupon) plants. Identification of carbon dioxide was successful with a spectral match of 90.2 percent and further used in the determination of relative spontaneous ignition temperature, or RSIT. The RSIT value during the growing season for Chinese tallow, Chinese tallow stem, Chinese privet, and Yaupon were 208.4°C, 250.3°C, 210.1°C, and 232.3°C respectively. During the dormant ...


Bayesian Analytical Approaches For Metabolomics : A Novel Method For Molecular Structure-Informed Metabolite Interaction Modeling, A Novel Diagnostic Model For Differentiating Myocardial Infarction Type, And Approaches For Compound Identification Given Mass Spectrometry Data., Patrick J. Trainor 2018 University of Louisville

Bayesian Analytical Approaches For Metabolomics : A Novel Method For Molecular Structure-Informed Metabolite Interaction Modeling, A Novel Diagnostic Model For Differentiating Myocardial Infarction Type, And Approaches For Compound Identification Given Mass Spectrometry Data., Patrick J. Trainor

Electronic Theses and Dissertations

Metabolomics, the study of small molecules in biological systems, has enjoyed great success in enabling researchers to examine disease-associated metabolic dysregulation and has been utilized for the discovery biomarkers of disease and phenotypic states. In spite of recent technological advances in the analytical platforms utilized in metabolomics and the proliferation of tools for the analysis of metabolomics data, significant challenges in metabolomics data analyses remain. In this dissertation, we present three of these challenges and Bayesian methodological solutions for each. In the first part we develop a new methodology to serve a basis for making higher order inferences in metabolomics ...


Investigation Of Vaporization Enthalpies And Vapor Pressures Of Organic Compounds By Correlation Gas Chromatography, Carissa Nelson 2018 University of Missouri, St. Louis

Investigation Of Vaporization Enthalpies And Vapor Pressures Of Organic Compounds By Correlation Gas Chromatography, Carissa Nelson

Dissertations

Thermodynamic properties of organic compounds are useful to scientists and manufacturers in many areas of research and technology. This work focuses on measuring and reporting these properties on materials of commercial, environmental and scientific interest. Vaporization enthalpies and vapor pressures of several organic compounds have been studied using correlation gas chromatography (CGC) and are reported here as well as in recent publications. The CGC method allows for the indirect measurement of these properties in instances where these materials are available only in mixtures or in very small amounts.

The qualities of these measurements for any chosen target are directly related ...


Advances In Amino Acid Analysis For Marine Related Matrices And Its Application To Coastal Shelf Settings In The Canadian Arctic, Rachel M. McMahon 2018 Old Dominion University

Advances In Amino Acid Analysis For Marine Related Matrices And Its Application To Coastal Shelf Settings In The Canadian Arctic, Rachel M. Mcmahon

OEAS Theses and Dissertations

Amino acids comprise up to 50% of organic matter in cellular material and are a major fraction of oceanic organic carbon. Amino acids are also considered highly labile during organic matter recycling, making them useful proxies for organic carbon cycling. Nevertheless, analysis of individual amino acids has been burdened by lengthy derivatization and complex analysis since the 1950s. In this thesis, I describe the modification of advanced analytical techniques, developed in the biomedical field, for analysis of marine matrices which allow the determination of at least 40 amino acids without the need for lengthy sample preparation and derivatization, twice the ...


Hydrophilic Interaction Liquid Chromatography-Electrospray Ionization Mass Spectrometry For Therapeutic Drug Monitoring Of Metformin And Rosuvastatin In Human Plasma, Nikolaos Antonopoulos, Giorgos Machairas, George Migias, Ariadni Vonaparti, Vasiliki Brakoulia, Constantinos Pistos, Dimitra Gennimata, Irene Panderi 2018 National and Kapodistrian University of Athens

Hydrophilic Interaction Liquid Chromatography-Electrospray Ionization Mass Spectrometry For Therapeutic Drug Monitoring Of Metformin And Rosuvastatin In Human Plasma, Nikolaos Antonopoulos, Giorgos Machairas, George Migias, Ariadni Vonaparti, Vasiliki Brakoulia, Constantinos Pistos, Dimitra Gennimata, Irene Panderi

Chemistry

In this work a hydrophilic interaction liquid chromatography/positive ion electrospray mass spectrometric assay (HILIC/ESI-MS) has been developed and fully validated for the quantitation of metformin and rosuvastatin in human plasma. Sample preparation involved the use of 100 µL of human plasma, following protein precipitation and filtration. Metformin, rosuvastatin and 4-[2-(propylamino) ethyl] indoline 2 one hydrochloride (internal standard) were separated by using an X-Bridge-HILIC BEH analytical column (150.0 × 2.1 mm i.d., particle size 3.5 µm) with isocratic elution. A mobile phase consisting of 12% (v/v) 15 mM ammonium formate water solution in ...


Steric Effects Of Alkyl Ammonium Salts On The Combustion Of Exchanged Smectite Clays, Celeste A. Keith 2018 Stephen F. Austin State University

Steric Effects Of Alkyl Ammonium Salts On The Combustion Of Exchanged Smectite Clays, Celeste A. Keith

Electronic Theses and Dissertations

Bomb calorimetry was explored as a new method for determining the cation exchange capacity (CEC) of clays. Smectite clays were modified with several alkyl ammonium salts varying in number of carbons and the spatial orientation of the carbons about the central nitrogen atom. The clays used, standards purchased from the Source Clay Repository, have CECs of 44, 80, 88, and 120 meq/100 g. Theoretically, the combustion energy of the organo-clays should be approximately the same for each salt. Any differences in energy would be due to the different structures of the salts and how they are oriented in the ...


Removal Of Pb2+ Ions From Consuming Water Using A Fabricated Water Filter For Home Use, Pantaree Sodkhoksoong, Papidchaya Chanpong, Thunyarus Rodsawatchuchoke 2018 Mahidol Wittayanusorn School

Removal Of Pb2+ Ions From Consuming Water Using A Fabricated Water Filter For Home Use, Pantaree Sodkhoksoong, Papidchaya Chanpong, Thunyarus Rodsawatchuchoke

The International Student Science Fair 2018

Lead contamination in water is one of the worldwide concerned environmental problems. For example, lead leaking from pipe corrosion and solder has been found contaminated in consuming water in many U.S. areas. The uncontrolled release of effluents containing lead from various industries has also caused lead-contaminated water in Thailand. Exposing to lead-contaminated water can lead to serious symptoms (e.g. fatigue, headaches, abdominal pain, irritability, depression, and seizures) or even death. Therefore, the elimination of lead ions (Pb2+) from consuming water or from effluents before releasing into the environment is necessary. The selection of adsorbents and the fabrication ...


Synthesis And Characterization Of Organically Modified Hectorites For Sequestration Of Pfaas From Contaminated Drinking Water, Alexandra Pagano 2018 Union College

Synthesis And Characterization Of Organically Modified Hectorites For Sequestration Of Pfaas From Contaminated Drinking Water, Alexandra Pagano

Honors Theses

Perfluoroalkyl Acids (PFAAs), a family of industrial chemicals, are found in household products such as pizza boxes, microwave popcorn bags, and non-stick pans. PFAAs of different carbon chain lengths and ionic head groups exist, such as PFOA (perfluorooctanoic acid) and PFOS (perfluorooctane sulfonic acid). Used without regulation in industry for decades, PFAAs only recently became recognized as contaminants of emerging concern, since they are bioaccumulative in organisms, persistent in the environment, and toxic. PFAAs are known to accumulate in the blood, liver and kidneys, and drinking water contaminated with PFAAs has been linked to certain types of cancer. Therefore, it ...


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