Chemistry Commons^™

Powder X-Ray Diffraction Of Fluorometholone, C22h29fo4, Diana Gonzalez '20, Joseph T. Golab, James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton

Student Publications & Research

No abstract provided.

Powder X-Ray Diffraction Of Flucytosine, C4h4fn3o, Nilan V. Patel, Joseph T. Golab, James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton

Student Publications & Research

No abstract provided.

Powder X-Ray Diffraction Of Trimethoprim Form I, C14h18n4o3, Jerry Hong '20, Joseph T. Golab, James A. Kaduk, Amy M. Gindhart, Thomas N. Blanton

Student Publications & Research

No abstract provided.

Valorization Of Carrot Processing Waste, Alexandra M. Duval

Master's Theses

Commercial carrot processors produce up to 175,000 tons of carrot waste annually. Carrot Mash (CM) is the term referring to the waste by-product of peeled baby carrot processing. Transportation of carrot processing waste is expensive due to its high- water content (approx. 83-95%). High in bioactive compounds (carotenoids) and dietary fibers, it is expected that its conversion into a value-added by-product is of interest to the carrot processing industry. Hemicellulose-rich plant materials have proven to be a source of oligosaccharides, which are known for their beneficial prebiotic activity. The objectives of this research were to: 1) determine the effect of …

Infrared Spectroelectrochemistry Of Iron-Nitrosyl Triarylcorroles. Implications For Ligand Noninnocence, Md. Hafizur Rahman, Michael D. Ryan, Hugo Vazquez-Lima, Abraham Alemayehu, Abhik Ghosh

Chemistry Faculty Research and Publications

Recent DFT calculations have suggested that iron nitrosyl triarylcorrole complexes have substantial {FeNO}⁷–corrole^•2– character. With this formulation, reduction of Fe(C)(NO) complexes, where C = triarylcorrole, should be centered on the corrole macrocycle rather than on the {FeNO}⁷ moiety. To verify this proposition, visible and infrared spectroelectrochemical studies of Fe(C)(NO) were carried out and the results were interpreted using DFT (B3LYP/STO-TZP) calculations. The first reduction of Fe(C)(NO) led to significant changes in the Soret and Q-band regions of the visible spectrum as well as to a significant downshift in the ν_NO and changes in the corrole …

Hydrogen Peroxide Triggers An Increase In Cell Surface Expression Of System XC− In Cultured Human Glioma Cells, Leah A. Chase, Mary Verheulen Kleyn, Natasha Schiller, Abby Goltz King, Guillermo Flores, Sasha Balcazar Engelsman, Christina Bowles, Sara Lang Smith, Anne E. Robinson, Jeffrey Rothstein

Faculty Publications

System x_c⁻ exchanges extracellular cystine for intracellular glutamate across the plasma membrane of many cell types. One of the physiological roles of System x_c⁻ is to provide cystine for synthesis of the antioxidant glutathione. Here we report that hydrogen peroxide (H₂O₂) triggers the translocation of System x_c⁻ to the plasma membrane within 10 min of the initial exposure. Specifically, we observed a three-fold increase in ³⁵S-L-cystine uptake following a 10 min exposure to 0.3 mM H₂O₂. This effect was dose-dependent with an EC₅₀ for …

A Halogen Bonding Perspective On Iodothyronine Deiodinase Activity, Eric S. Marsan, Craig A. Bayse

Chemistry & Biochemistry Faculty Publications

Iodothyronine deiodinases (Dios) are involved in the regioselective removal of iodine from thyroid hormones (THs). Deiodination is essential to maintain TH homeostasis, and disruption can have detrimental effects. Halogen bonding (XB) to the selenium of the selenocysteine (Sec) residue in the Dio active site has been proposed to contribute to the mechanism for iodine removal. Polybrominated diphenyl ethers (PBDEs) and polychlorinated biphenyls (PCBs) are known disruptors of various pathways of the endocrine system. Experimental evidence shows PBDEs and their hydroxylated metabolites (OH-BDEs) can inhibit Dio, while data regarding PCB inhibition are limited. These xenobiotics could inhibit Dio activity by competitively …

Evaluation Of The Overall Binding Of Acetohexamide And Tolbutamide With Methyl Glyoxal-Modified Hsa By High-Performance Affinity Chromatography, Ashley G. Woolfork, David S. Hage

Department of Chemistry: Dissertations, Theses, and Student Research

High performance affinity chromatography (HPAC) was used in a zonal competition format to investigate the overall binding of two sulfonylurea drugs with modified human serum albumin (HSA). The in vitro modifications of this protein that were examined included glycation, as occurs in the presence of elevated glucose levels during diabetes, and the formation of advanced glycation end-products (AGEs) due to the reaction of HSA with methylglyoxal (MGo). The sulfonylurea drugs acetohexamide and tolbutamide, which are used to treat type II diabetes, were each injected onto 10 mm x 2.1 mm i.d. affinity microcolumns that contained normal HSA and HSA modified …

Analysis Of Hydroxychloroquine Interaction With Serum Proteins By High Performance Affinity Chromatography, Kyungah Suh, Sadia Sharmeen, David S. Hage

Department of Chemistry: Dissertations, Theses, and Student Research

Personalized medicine or precision medicine has been an emerging market for better treatments of patients under varying physiological conditions.To improve the development of personalized medicine, a higher understanding of drug-protein binding between serum transport proteins and the unbound form of pharmaceuticals is needed. Human Serum Albumin (HSA) and Alpha1-acidglycoprotein (AGP) play a crucial role in pharmacokinetics as they are two most abundant transport serum proteins in body circulatory system. Inter-individual variabilities of serum proteins, such as the physiological condition of patients, have been believed to alter the drug-serum protein binding. Fig. 1 shows an example of the cause of inter-individual …

Chitosan Curcumin Film As A Sensor For Detection Of O-Nitrophenol And Fluoride Ion Using Fluoresce Quenching Technique, Soma Chakraborty, Andrea Paola D. Ilagan

Chemistry Faculty Publications

Curcumin was immobilized in chitosan films fabricated by solvent casting method. The amount of curcumin immobilization was more when methanol was used as a solvent to dissolve curcumin than the butanol solvent. The maximum amount of curcumin immobilized per gram of chitosan film was 0.023 g. Immobilized curcumin was not released back in water even after prolong contact of the films with water. Fluorescence intensity of the films got quenched when these films were in contact with an aqueous solution of o-nitrophenol (ONP) and sodium fluoride (NaF). The extent of quenching depended on the concentration of these attributes. Fluorescence intensity …

An Assessment Of The Spatial Variation Of Isotopic Ratios In A Candu-6 Reactor For Nuclear Treaty Monitoring, Aaron W. Burkhardt

Theses and Dissertations

The Preparatory Commission for the Comprehensive Nuclear Test Ban Treaty Organization developed the International Monitoring System for monitoring for nuclear explosive testing and compliance with nuclear treaties. Many of the International Monitoring System stations are capable of detecting radionuclides that can be used to determine their origin and creation environment. However, there is not a single unique signature associated with each creation environment. Nuclear reactors, for example, can have a wide range of isotopic concentrations caused by spatial variations in neutron flux intensity and energy. As a single sample only provides a single isotopic measurement, this can make disambiguation difficult …

A Machine Learning Approach To Characterizing Particle Morphology In Nuclear Forensics, Daniel A. Gum

Theses and Dissertations

A machine learning approach is taken to characterizing a group of synthetic uranium bearing particles. SEM images of these lab-created particles were converted into a binary representation that captured morphological features in accordance with a guide established by Los Alamos National Laboratory. Each particle in the dataset contains an association with chemical creation conditions: processing method, precipitation temperature and pH, calcination temperature are most closely tied to particle morphology. Additionally, trained classifiers are able to relate final products between particles, implying that morphological features are shared between particles with similar composition.

Hydrophilic Porphyrins Based Chemosensors For First Transition Series Metal Ions [Chemistry], Sunaina Singh

Open Educational Resources

General Chemistry is a two-semester course (General Chemistry I, SCC 201 and General Chemistry II, SCC 202) required for majors in Biology and Environmental Sciences.

This lab experiment, aligned to LaGuardia Community College’s Inquiry and Problem Solving Core Competency and Written Communication Ability was designed for General Chemistry I (SCC 201 Honors) course. Honors courses in LaGuardia emphasize critical thinking, analytical writing, and introduce students to research. This lab experiment provides an opportunity for students to engage in hands-on laboratory work, to develop laboratory skills, and to conduct research in the classroom by using two water soluble porphyrins to detect …

Synthesis And Fabrication Of Trimetallic (Ru-Mn Co) Catalyst Supported On Tio2 And Ni(Oh)2 Thin Films For Photoelectrochemical Applications, Che Mat Ahmad Nazeer

Student Works (2020-2029)

Anatase supported heterogeneous photocatalyst consisting of RuO2, MnO2 and Co3O4 (1:13:13 ratio) was synthesized by precipitation method. The film of the prepared catalyst was fabricated by electrophoretic deposition technique in an aqueous solution of 0.1 mM ammonia and tested for photoelectrocatalytic (PEC) oxidation of methanol in 0.1M KOH under visible light irradiation. The as-prepared photocatalyst was characterized by FTIR, UV–Vis, XRD, Raman spectroscopy, FESEM/EDX, TEM, BET, XPS and TPR. The PEC study by cyclic voltammetry indicates that the oxidation of methanol to CO2 and H2O upon exposure to visible light occurs between 400 and 800 nm. The smaller value of …

Asking Why: Analyzing Students' Explanations Of Organic Chemistry Reaction Mechanisms Using Lexical Analysis And Predictive Logistic Regression Models, Amber J. Dood

USF Tampa Graduate Theses and Dissertations

In order to evaluate student understanding of chemical reactions and reaction mechanisms, it is necessary to ask students to construct written or oral explanations of mechanistic representations. Studies have shown that students can reproduce pictorial representations of organic chemistry mechanisms without understanding the meaning of the representations. Grading written assessments is time-consuming, which limits their use in large-lecture courses. To address this limitation, lexical analysis and logistic regression techniques can be used to develop models that predict human scoring for constructed-response items. In this dissertation, students’ responses to constructed-response items about what is happening and why in organic chemistry reaction …

Toxic Ketene Gas Forms On Vaping Vitamin E Acetate Prompting Interest In Its Possible Role In The Evali Outbreak, Robert Strongin

Chemistry Faculty Publications and Presentations

Recent efforts by the Centers for Disease Control and Prevention (CDC), the US Food and Drug Administration (FDA), and state authorities have led to the determination that vitamin E acetate (VEA) is strongly associated with e-cigarette or vaping product use-associated lung injury (EVALI) (1). VEA has been found in nearly all patient lung fluid samples analyzed and not observed in lung fluid from healthy cohorts. Despite strong evidence linking VEA to EVALI, its putative role as a causative agent has yet to be determined. To address the key issue of whether VEA is a just marker or a significant mediator …

Inquiry Based Instruction In Chemistry With Games, Karen Ye

Professional Learning Day

Games can be a fun and motivating way to engage students, but they are often used as a means to practice, apply, or review learned content instead of introducing a new concept. In this session, participants will explore the use of common games as a tool for an inquiry-based approach to introducing topics in high school chemistry such as atomic structure and periodic trends.

Inquiry Based Instruction In Chemistry With Games, Karen Ye

Professional Learning Day

Games can be a fun and motivating way to engage students, but they are often used as a means to practice, apply, or review learned content instead of introducing a new concept. In this session, participants will explore the use of common games as a tool for an inquiry-based approach to introducing topics in high school chemistry such as atomic structure and periodic trends.

Structures And Electrochemical Properties Of Sn-Cl Co-Doped Li2Mno3 As Positive Materials For Lithium Ion Batteries, Fei Wang, Huan-Huan Zhai, Du-Dan Wang, Yu-Peng Li, Kang-Hua Chen

Journal of Electrochemistry

Positive material Li₂MnO₃ shows the highest ratio of lithium to manganese among lithium-rich materials and exhibites the theoretical capacity up to 458 mAh·g^-1, making it one of the most promising cathode materials. However, this material has the intrinsic low electrical conductivity and poor cycle stability. In this paper, Li₂MnO₃, the lithium-rich positive material, was prepared by sol-gel method using acetate as raw material and citric acid as a complexing agent. By using SnC₂O₄ as a tin source, Sn⁴⁺ instead of Mn⁴⁺ was introduced to obtain the …

Electrochemical Impedance Spectroscopy For Electrocatalytic Interfaces And Reactions: Classics Never Die, Jun Huang

Journal of Electrochemistry

This review article recapitulates electrochemical impedance spectroscopy (EIS) studies in the field of electrocatalysis. The history of this specialized field, ranging from the beginning of the twentieth century to now, is outlined. We then chronicle milestones of the impedance theory. Special emphases are put on the Dolin-Ershler model, the prevailing model for analyzing adsorption impedance data. Afterwards, we narrow into a very specific and fundamental topic, the double-layer capacitance at platinum (Pt) single crystals. We discuss the challenges in experimentation and theoretical understanding thereof. We cast doubts into the validity of using the Dolin-Ershler model to obtain the double-layer capacitance …

Electrochemical Preparations And Applications Of Nano-Catalysts With High-Index Facets, Chi Xiao, Na Tian, Zhi-You Zhou, Shi-Gang Sun

Journal of Electrochemistry

The performance of catalysts highly depends on their surface structure and composition. Nanocrystals bounded by high-index facets usually exhibit high catalytic activity due to their high-density low-coordinated step atoms with high reactivity. In this paper, we have reviewed the preparations of noble metals (e.g., Pt, Pd and Rh) nanocatalysts with high-index facets by electrochemical square-wave potential method developed in our group. The square-wave potential method includes a nucleation procedure to generate nuclei, followed by a square-wave potential procedure for a certain period of time for the growth of nuclei into nanocrystals. The formation mechanism of high-index facets is also discussed. …

Insight Into The Important Solid/Liquid Double Layer From First-Principles Calculations, Ya-Hui Fang, Zhi-Pan Liu

Journal of Electrochemistry

Solid/liquid double layer is of fundamental importance in electrochemistry. It has been a challenge and focus to understand the equilibrium and the dynamic phenomena (e.g., chemical reactions) at the electrode/electrolyte double layer in a unified theoretical framework. In recent years, rapid expansion and development have been done in the application of first principles density function theory (DFT) simulation on the double layer. This article reviews the current theoretical methods for electrochemistry modeling, such as reaction center model, thermodynamic method and double reference model. The progress in the computation procedures based on first principles periodic continuum solvation method (DFT/CM-MPB) for obtaining …

Recent Progress In The Mechanistic Understanding Of Co2 Reduction On Copper, Matthew M Sartin, Wei Chen, Fan He, Yan-Xia Chen

Journal of Electrochemistry

In this review, we present the major developments in the understanding of the mechanisms of the electrochemical reduction of CO₂ from a historical perspective. Most of the work discussed in this review was carried out at copper electrodes, as this is the only material at which hydrocarbons are produced in reasonable quantities. The emphasis focuses on the differentiation of mechanisms for the generation of C1 and C2 products as well as factors and methods for controlling the product selectivity of CO₂ reduction. We have highlighted ambiguities, assumptions, and important methodologies, such as differential electrochemical mass spectrometry and electrochemical …

Effect Of Nitrogen Content In Catalyst Precursor On Activity Of Fen/C Catalyst For Oxygen Reduction Reaction, Zhi Yang, Ya-Yun Shen, E Zhou, Cheng-Ling Wei, Hao-Li Qin, Juan Tian

Journal of Electrochemistry

Non-noble metal catalysts with high activity and low cost have attracted increasing interest as potential catalysts for oxygen reduction reaction (ORR) to replace Pt-based catalysts. In this paper, the effect of nitrogen content in catalyst precursor on ORR activity of FeN/C catalyst was investigated by X-ray diffraction (XRD), Brunauer-Emmet-Teller (BET) surface area and pore size distribution measurements, transmission electron microscope (TEM), thermogravimetric analysis (TGA), and rotating disk electrode (RDE) techniques. The results show that the most active catalyst was obtained by pyrolysis in argon at 1050 °C with a catalyst precursor containing 20wt% 1,10-phenanthroline, 1wt% Fe and Black Pearl 2000. …

Lithium Storage Performance Of High Capacity Material Si@CPzs In Lithium Ion Batteries, Qing-Nuan Zhang, Fang-Fang Zhang, Hong-Xia Li, Bing-Jun Yang, Xiao-Cheng Li, Juan Yang

Journal of Electrochemistry

Carbon layers with different thicknesses were introduced into the surfaces of silicon (Si) nanoparticles by sol-gel method using poly (cyclotriphosphazene-co-4, 4'-sulfonyldiphenol) as the carbon source. Technologies of X-ray diffraction, thermo-gravimetric analysis, Brunauer-Emmett-Teller and transmission electron microscopy were employed to analyze the structures and components of the as-prepared Si@C_PZS composites. Electrochemical performance of Si@C_PZS with different carbon thicknesses was studied. The results showed that Si@C_PZS with carbon thickness of 10 nm possessed the best performance. Its capacity remained 940 mAh·g^-1 after 290 cycles under 500 mA·g^-1. As the addictive, the graphite-based anode contained 30% of …

In-Situ Raman Spectroscopic Study Of Electrochemical Reactions At Single Crystal Surfaces, Min Su, Jin-Chao Dong, Jian-Feng Li

Journal of Electrochemistry

Since the 1970s, in-situ spectroscopy (Raman, infrared, etc.) has been used to systematically study the electrochemical interfacial reactions which can provide more information about surface reactions and reveal the mechanisms from microscopic view due to its excellent surface sensitivity and energy resolution. With the development of nano-technology, surface-enhanced Raman scattering effect spectroscopy has made rapid progress. Recently, the emergence of SHINERS provides a good in-situ spectroscopic technique for the study of catalytic reactions on single crystal model electrodes with deterministic surface structure. In this paper, we have summarized the application of SHINERS in the study of …

Encouraging More Frogs In Electrochemistry, Yan-Xia Chen, Jun Huang, Dong-Ping Zhan

Journal of Electrochemistry

No abstract provided.

Research Progresses In Ni-Co-Mn/Al Ternary Concentration Gradient Cathode Materials For Li-Ion Batteries, Chun-Fang Zhang, Wen-Gao Zhao, Shi-Yao Zheng, Yi-Xiao Li, Zheng-Liang Gong, Zhong-Ru Zhang, Yong Yang

Journal of Electrochemistry

Nickel-rich ternary materials with large reversible capacity as well as high operating voltage are considered as the most promising candidate for next generation lithium-ion batteries (LIBs). However, the inferior cycle stability and thermal stability have limited their widely commercial applications. Concentration gradient design of Ni-Co-Mn/Al ternary concentration gradient materials have been extensively studied in the past decade, which can ensure high cycle capacity while maintaining excellent cycle stability. In this paper, the latest research progresses in Ni-Co-Mn/Al ternary concentration gradient materials for LIBs are reviewed. Firstly, we summarize the different synthesis methods of ternary concentration-gradient materials, especially focusing on the …

Challenges In The Activity And Stability Of Pt-Based Catalysts Toward Orr, Tuo Zhao, Er-Gui Luo, Xian Wang, Jun-Jie Ge, Chang-Peng Liu, Wei Xing

Journal of Electrochemistry

The development of highly efficient oxygen reduction reaction (ORR) catalysts is the key to the commercialization of fuel cells, where the sluggish ORR reaction rate needs to be overcome by adjusting the intermediates adsorption energies on the catalytic surfaces. To-date, platinum (Pt)-based materials are the-state-of-the-art catalysts in terms of both activity and stability in ORR, making them the preferred choice for commercial applications. However, the high cost of Pt-based catalysts limits their widespread use, leading to massive effects paid in reducing Pt loading, improving catalyst activity and stability. This article illustrates the challenges in the ORR reaction and introduces the …

Research Progresses In Polymeric Proton Exchange Membranes For Fuel Cells, Xu-Po Liu, Yun-Feng Zhang, Shao-Feng Deng, De-Li Wang, Han-Song Cheng

Journal of Electrochemistry

Proton exchange membrane (PEM) is one of the key components in PEM fuel cells, which possesses the function of separating the cathode and anode, affording proton transport channels and preventing fuel permeability. The property of PEM significantly influences the performance and service life of fuel cells. Nowadays, the commercially used Nafion membranes have the shortcomings of serious fuel permeability, low proton conductivity at elevated temperature and high price, which limits the rapid development of PEM fuel cells. Therefore, it seems to be urgent to develop novel PEMs with low cost and good comprehensive properties. Polymeric proton exchange membrane is an …