Chemistry Commons^™

Enhanced Glucose Electrooxidation At Ni-Cu Binary Oxide Nanocatalyst, Islam M. Al-Akraa, Mahmoud M. Abouzaid Eng, Yaser M. Asal Mr, Ahmad M. Mohammad Prof

Chemical Engineering

The aim of this study is to fabricate a nickel (NiOx) and copper (CuOx) oxide nanocatalyst on a glassy carbon (GC) electrode (will be abbreviated as Ni-Cu/GC) for glucose oxidation (GO). A sequential electrodepositon mode was applied to assemble NiOx and CuOx in the fabrication scheme. The optimization of Ni loading on the GC surface (will be abbreviated as Ni/GC electrode) was achieved first to attain the maximum catalytic efficiency in terms of the specific current toward GO. This (409 Ag1)was obtained by applying 15 mC/cm2 in the deposition of Ni. However, unfortunately the NiOx/GC could not support a long-term …

Effect Of The Electrodeposition Potential Of Platinum On The Catalytic Activity Of A Pt/Gc Catalyst Toward Formic Acid Electro−Oxidation, Islam M. Al-Akraa, Bilquis A. Al-Qodami Ms., Ahmad M. Mohammad Prof

Chemical Engineering

The electrocatalytic activity of platinum (Pt)–modified glassy carbon (GC) (referred as Pt/GC) electrodes toward the formic acid electro−oxidation (FAO) was investigated. The Pt deposition on the GC substrate was carried out by a potentiostatic technique at different potentials (from 0.2 V to −0.2 V vs. Hg/Hg2Cl2/KCl (sat.) reference electrode) and the corresponding influence on the catalytic activity toward FAO was monitored. The electrocatalytic inspection revealed a potential role for the Pt deposition potential in boosting the catalytic efficiency of the catalyst toward FAO and further in mitigating the CO poisoning that eventually deactivate the catalyst. Interestingly, the highest activity toward …

Investigations Of Graphene-Supported Single-Atom Catalyst Model Ions In The Gas Phase, Michael Borrome

Theses and Dissertations

Recent developments in heterogeneous catalysis has led to the conception of single-atom catalysts (SACs), a class of catalysts based on isolated metal atoms anchored to a support scaffold. SACs are often much more reactive and can offer better selectivity when compared to nano-scale catalysts. In order to realize the full potential of SACs, a sound understanding of the underlying catalytic mechanisms is required. However, surface analysis tools can become less effective in studying catalytic mechanisms at the atomic scale. Mass spectrometry has proven to be a robust technique for studying organometallic catalytic mechanisms at the single-molecule level. Using mass spectrometry, …

A Theoretical And Experimental Study Of Charge Transport In Organic Thermoelectric Materials And Charge Transfer States In Organic Photovoltaics, Ashkan Abtahi

Theses and Dissertations--Physics and Astronomy

Applications of organic electronics have increased significantly over the past two decades. Organic semiconductors (OSC) can be used in mechanically flexible devices with potentially lower cost of fabrication than their inorganic counterparts, yet in many cases organic semiconductor-based devices suffer from lower performance and stability. Investigating the doping mechanism, charge transport, and charge transfer in such materials will allow us to address the parameters that limit performance and potentially resolve them. In this dissertation, organic materials are used in three different device structures to investigate charge transport and charge transfer. Chemically doped π-conjugated polymers are promising materials to be used …

Laser Ablation In Liquid For The Controlled Production Of Photoluminescent Graphene Quantum Dots And Upconverting Nanoparticles, Rosemary Lynn Calabro

Theses and Dissertations--Chemistry

Photoluminescent­ (PL) nanomaterials play an important role in areas including displays, sensing, solar, photocatalysis, and bio applications. Traditional methods to prepare PL materials suffer many drawbacks such as harsh chemical precursors, complicated synthetic steps, and production of many byproducts. Laser ablation in liquid (LAL) has emerged as a promising alternative to prepare materials that is single-step, fast, uses fewer precursors, produces fewer side products, and has simple purification steps. During LAL, a solid target is irradiated with a pulsed laser source. The laser pulses cause plasma plumes of the target material to form which are cooled, condensed, and can react …

Chronic Chemogenetic Stimulation Of The Nucleus Accumbens Produces Lasting Reductions In Binge Drinking And Ameliorates Alcohol-Related Morphological And Transcriptional Changes, Dar'ya Y. Pozhidayeva, Sean Farris, Calla Goeke, Evan Firsick, Kayla G. Townsley, Marina Guizzetti, Angela Ozburn

Chemistry Faculty Publications and Presentations

Binge drinking is a dangerous pattern of behavior. We tested whether chronically manipulating nucleus accumbens (NAc) activity (via clozapine-N-oxide (CNO) and Designer Receptors Exclusively Activated by Designer Drugs (DREADD)) could produce lasting eects on ethanol binge-like drinking in mice selectively bred to drink to intoxication. We found chronically increasing NAc activity (4 weeks, via CNO and the excitatory DREADD, hM3Dq) decreased binge-like drinking, but did not observe CNO-induced changes in drinking with the inhibitory DREADD, hM4Di. The CNO/hM3Dq-induced reduction in ethanol drinking persisted for at least one week, suggesting adaptive neuroplasticity via transcriptional and epigenetic mechanisms. Therefore, we defined this …

Factors Influencing Huntingtin Aggregation At Surfaces: Implications For Huntington’S Disease, Sharon E. Groover

Graduate Theses, Dissertations, and Problem Reports

Huntington’s Disease (HD) is a genetic, neurodegenerative disease characterized by an abnormal polyglutamine (polyQ) expansion in the first exon of the huntingtin protein (htt). The polyQ domain facilitates aggregation and initiates the formation of a diverse collection of aggregate species, including fibrils, oligomers and annular aggregates. The first 17 amino acids of htt (Nt17) directly flank the polyQ domain and is a key factor in htt’s association to membranous structures. In addition to Nt17 being an amphipathic αhelix, it also promotes aggregation through self-association and contains numerous posttranslational modifications (PTMs) that can modulate toxicity and subcellular localization. For in depth …

The Effects Of Membrane Physicochemical Properties On Huntingtin Membrane Association And Downstream Aggregation, Maryssa Beasley

Graduate Theses, Dissertations, and Problem Reports

Huntington’s Disease (HD) is a fatal neurodegenerative disorder caused by an expanded glutamine repeat region (polyQ) within the huntingtin protein (htt). As a result of the expanded polyQ domain, htt associates into a variety of toxic aggregate species. The polyQ domain of htt is flanked at the N-terminal end by 17 amino acids (Nt17) that adopt an amphipathic α-helical structure in the presence of binding partners such as lipid membranes. In addition to comprising a lipid binding domain, the Nt17 amphipathic α -helix has been directly implicated in htt aggregation initiation via self-association with other Nt17 α -helices. Due to …

Correlating The Physicochemical Properties Of Magnesium Stearate With Tablet Dissolution And Lubrication, Julie L. Calahan

Theses and Dissertations--Pharmacy

Magnesium stearate (MgSt) is the most commonly used pharmaceutical excipient and is present in over half the tablet formulations on the market. In spite of its popularity as an effective lubricant, it has been repeatedly recognized that there is significant variability between MgSt samples, which can cause inconsistent lubrication between batches of MgSt. The hypothesis of this research is that the batch-to-batch variability in tablet lubrication and dissolution observed in tablet formulations containing different MgSt samples can be correlated with differences in MgSt physicochemical properties (fatty acid salt composition, crystal hydrate form, particle size and surface area). Developing correlations between …

Threshold Ionization Spectroscopy And Spin-Orbit Coupling Of Lanthanide Complexes, Yuchen Zhang

Theses and Dissertations--Chemistry

The C-C and C-H bonds have high bond strength and low polarization, which make many small hydrocarbons too inert to react with other molecules under ambient pressure and temperature conditions. Therefore, activation of these bonds is required to convert such small molecules into other value-added chemicals. Among various bond activation methods, metal activation is widely used and reported in the literature, because of its relatively mild reaction conditions and high selectivity.

In this work, Ce atom reactions with several small hydrocarbons are carried out in a pulsed laser vaporization supersonic molecular beam source, and Ce -hydrocarbon species are observed with …

Towards The Rational Design Of Organic Semiconductors Through Computational Approaches, Qianxiang Ai

Theses and Dissertations--Chemistry

Though organic semiconductors have illustrated potential as industry-relevant materials for electronics applications, there are few guidelines that can take one from molecular design to functional materials. This limitation is, in part, due to incomplete understanding as to how the atomic-scale construction of the π-conjugated molecules that comprise the organic semiconductors determines the nature and strength of both the noncovalent intramolecular interactions that govern molecular conformation and noncovalent intermolecular interactions that regulate the energetic preference for solid-state packing. Hence, there remain several fundamental questions that need to be resolved in order to design organic semiconductors from a priori knowledge, including: What …

Structural Investigation On The Thermal Degradation Of Aqueous Amines In Post-Combustion Co2 Capture, Jeffrey Alexander Laub

Online Theses and Dissertations

One of the major issues concerning the increase in global temperature is with the elevating levels of CO2 in the atmosphere. Combustion of fossil fuels in power plants is a leading contributor to the elevated anthropogenic CO2 concentration. To help alleviate this issue, the investigation of aqueous amines being implemented for the capture of CO2 in the post-combustion carbon capture (PCCC) in power plants has been a growing interest to chemists. One of the concerns with aqueous amines, is their ability to thermally degrade. Thermal degradation is a prominent aspect for the loss of aqueous amines during the stripper process …

Ni-Au Anodic Nano-Electrocatalyst For Direct Glucose Fuel Cells, Islam M. Al-Akraa, Aya S. Abdulhalim Eng, Yassr M. Asal Mr, Ahmad M. Mohammad Prof

Chemical Engineering

This study aims at the sequential assembling of a nickel oxide (NiOx: cauliflower-like nanostructure, 90 nm) and gold (Au; spherical, 95 nm in an average particle size) onto the GC surface nanocatalyst on a glassy carbon (GC) electrode (will be abbreviated as Ni-Au/GC) for the glucose electro−oxidation (GO); the principal anodic reaction in the direct glucose fuel cells (DGFCs). The charge of the Ni deposition on the GC surface (will be abbreviated as Ni/GC electrode) was initially optimized to obtain the highest catalytic activity toward GO which attained at (339.8 Ag−1) by applying 15 mC in the Ni deposition. Yet, …

Development Of Novel Adsorbent For Industrial Waste Water Treatment, Islam M. Al-Akraa, Hassan M. Shehata Eng, Dalia A. Ali Eng., Hoda A. Elsawy Dr

Chemical Engineering

The main objective of this research project is to perform some experimental procedures to inform the ability of the novel adsorbent used in this project. The chemical modification of the adsorbent is the chemical oxidation of pure powder chitosan using some specific redox pairs which are potassium dichromate and sodium bisulphite. After preparing the modified chitosan, there are some parameters that must be discussed during the adsorption process. The first parameter is the time parameter, showing experimentally the optimum time for adsorption under certain conditions by collecting values of absorbance and concentration of thymol blue adsorbed after the process from …

Stimuli-Responsive Gelators From Carbamoyl Sugar Derivatives And Their Responses To Metal Ions And Tetrabutylammonium Salts, Dan Wang, Anji Chen, Joedian Morris, Guijun Wang

Chemistry & Biochemistry Faculty Publications

Carbohydrate-based low molecular weight gelators (LMWGs) are interesting compounds with a variety of applications. In this research, a library of nineteen carbamate derivatives of N-acetyl-D-glucosamine were synthesized and characterized, and several derivatives were found to be effective LMWGs. They formed gels in pump oils as well as mixtures of water with ethanol or water with DMSO. The structures of the carbamoyl chains played an important role in the gelation properties, short chain aliphatic derivatives and phenyl carbamates formed gels in more solvents than certain aromatic and dimeric carbamates. The phenyl carbamate gelator was also selected for the encapsulation of …

Designing Metal-Halide Perovskites With Enhanced Optical Properties And Stability Using Surface Ligands, Md Aslam Uddin

Theses and Dissertations--Chemistry

Metal-halide perovskites (MHPs), with formula ABX₃ (A = methylammonium, formamidinium, or Cs⁺; B = Sn²⁺ or Pb²⁺; and X = Cl^-, Br^-, or I^-) are versatile and attractive materials because of their tunable optical and electronic properties. These optical and electronic properties include tunable direct band gaps, high absorption coefficients, low exciton binding energies, relatively high electron and hole mobilities, narrow emission line-widths, and high photoluminescence (PL) quantum yields (Φ_PL). Much of the initial excitement around organic metal-halide perovskites focused on their application in photovoltaics (PVs) …

Structure, Surface, And Interfacial Modifications Of Carbon And Supported-Metal Electrodes For Electrochemical Carbon Dioxide Conversion, Namal Wanninayake

Theses and Dissertations--Chemistry

Currently, the global emission of greenhouse CO₂ is over 36 billion tons per year. Consequently, the atmosphere's CO₂ concentrations have exceeded 400 ppm, which is the highest reported in the last three million years. The accumulation of CO₂ is the most critical origin for today's climate change; thus, closing the carbon cycle is vital to reverse the detrimental impacts of climate change. Under this goal, the electrochemical reduction of CO₂ into commodity fuels and chemicals via renewable energy is one of the most promising strategies to recycle CO₂. Despite significant progress made in electrocatalysis, …

Multiscale Modeling Of Structure-Function Relationships Of Organic Semiconductors, Shi Li

Theses and Dissertations--Chemistry

While optoelectronic devices built from organic semiconductors (OSC) continue to find their way into the commercial landscape, there remain numerous challenges to overcome to supplant traditional semiconductors in many technologies. Chief among these are low performance metrics relative to devices with conventional semiconductors and device stability. In order to overcome these challenges, a wide range of new OSC and processing technologies have been developed. However, there remains limited fundamental understanding of the relationship between molecular structure, packing in the solid state, and the resulting materials properties. Here, we make use of multiscale molecular models and utilize classical all-atom molecular dynamic …

Open Ensemble Modeling Of Confined Electrolytes, Serban Zamfir

Theses and Dissertations

The main purpose of my study was to work towards better understanding the behavior of salt solutions in nanoconfinements and its causes. To this end I have developed an in-house C++ code that can perform notoriously challenging open ensemble Monte Carlo molecular simulations, calculate relevant thermodynamic and extract structural information about each system. I use this code in my first project which deals with the intrusion/extrusion of aqueous NaCl into a nanopore open to a pressurized bulk environment. For my second project, I study the effect of explicitly accounting for intramolecular polarization and accompanying multi-body interactions on the uptake, structure, …

Metal-Oxide Nanostructures Fabricated From Reactive Laser Ablation In Liquid, Mallory G. John

Theses and Dissertations

The development of metal-oxide nanostructures is a growing area due to their applications in diverse fields spanning energy conversion and storage, chemical manufacturing, and en- vironmental technology. This interest in catalytically active nanomaterials has prompted the synthesis and investigation of highly functionalized nanoparticles (NPs), including core- shell, silicate-stabilized, and bi- and multi-metallic nanocomposites. While wet-chemical synthesis methods of metal-oxide nanostructures have led to several morphologies, compositions, and shapes, these syntheses often require high temperatures, toxic solvents or reducing agents, and long reaction times.

Laser synthesis and processing of colloids (LSPC) encompasses both ‘top down’ and ‘bottom up’ approaches to synthesize …

Probing Vibrational Wave Packets In Organophoshorous Molecules Using Femtosecond Time-Resolved Mass Spectrometry (Ftrms), Derrick Ampadu Boateng

Theses and Dissertations

The study of organophosphorus and nitroaromatic compounds is essential due to their suitability as models for understanding the dynamics of radiation induce damage to DNA sugar-phosphate backbone, and the detection of chemical warfare agents as well as nitroaromatic explosives (such as TNT). The ultrafast dynamics of these polyatomic radicals were studied using femtosecond time-resolved mass spectrometry (FTRMS), a versatile method that is capable of monitoring the ultrafast dynamics of rapid dissociation in the gas phase after the removal of an electron. The method uses a technique called pump-probe, which makes use of two time-delayed laser pulses. In this work, the …