Digital Commons Network^™

Oil Pollution In Water Bodies Of Restricted Circulation, Michael A. Kruge

Department of Earth and Environmental Studies Faculty Scholarship and Creative Works

Coastal lagoons and embayments near urban centers around the world share many common characteristics and problems. Physical impediments to free water circulation (spits, barrier islands, internal islands, tombolos, submerged sills) often lead to water stagnation and, in the presence of excess nutrients, eutrophication. Urban and industrial activities provoke (usually accidental) spills of hazardous materials into these confined water bodies, such as crude petroleum and refined petroleum products, leading to difficulties for resident biota and potential hazards for human health. The sluggish turnover of these water bodies (or low-energy zones within them) may retard the natural attenuation of the spilled contaminants. …

Computational Approaches To Anti-Toxin Therapies And Biomarker Identification, Rebecca Jane Swett

Wayne State University Dissertations

This work describes the fundamental study of two bacterial toxins with computational methods, the rational design of a potent inhibitor using molecular dynamics, as well as the development of two bioinformatic methods for mining genomic data.

Clostridium difficile is an opportunistic bacillus which produces two large glucosylating toxins. These toxins, TcdA and TcdB cause severe intestinal damage. As Clostridium difficile harbors considerable antibiotic resistance, one treatment strategy is to prevent the tissue damage that the toxins cause. The catalytic glucosyltransferase domain of TcdA and TcdB was studied using molecular dynamics in the presence of both a protein-protein binding partner and …

Synthesis Of 1-Pyrenyldiazomethane For Derivatization Of Short-Chain Fatty Acids, Mary E. Kalvaitis

Senior Honors Theses and Projects

Use of I-pyrenyldiazomethane (PDAM) for derivatizing short-chain fatty acids (SCFA) is a successful way to analyze complex SCF A samples quickly and with minimal sample preparation. The costs associated with ordering PDAM from a commercial source can be high, typically more than $300 not including shipping costs. This project developed a simple two-step synthesis procedure that can be used in undergraduate chemistry laboratories. We found that the PDAM produced by this procedure is pure enough to use for our derivatization needs without further purification. This synthesis can be used to further explore the use of PDAM for fast and simple …

Revisiting The Fundamentals In The Design And Control Of Nanoparticulate Colloids In The Frame Of Soft Chemistry, Vuk Uskoković

Pharmacy Faculty Articles and Research

This review presents thoughts on some of the fundamental features of conceptual models applied in the design of fine particles in the frames of colloid and soft chemistry. A special emphasis is placed on the limitations of these models, an acknowledgment of which is vital in improving their intricacy and effectiveness in predicting the outcomes of the corresponding experimental settings. Thermodynamics of self-assembly phenomena illustrated on the examples of protein assembly and micellization is analyzed in relation to the previously elaborated thesis that each self-assembly in reality presents a co-assembly, since it implies a mutual reorganization of the assembling system …

Ruthenium(Ii) Polypyridyl Complexes As Potential Anticancer Drugs: Synthesis, Characterization, Cell Permeability And Localization, Yanling Chen

Chemistry & Biochemistry Theses - Archive

Research on biological activities of ruthenium polypyridyl complexes (RPCs) continues to attract interest as these complexes have shown promising anticancer activity both in vitro and in vivo.¹⁻³ The mononuclear RPC, [(phen)₂Ru(tatpp)]²⁺ (MP) and related dinuclear complex [(phen)₂Ru(tatpp)Ru(phen)₂]⁴⁺ (P) have been shown to both intercalate with DNA and shown potentiated DNA cleavage under anaerobic and reducing conditions⁴⁻⁵, as well as shown good selectivity and cytotoxicity towards malignant cell lines in vitro and tumors in vivo.⁵ Both complexes contain the redox-active tatpp ligand which is thought to be an essential component for the observed biological activities. This thesis is focused on developing …

Development Of New Stationary Phases And Their Applications In High Performance Liquid Chromatography, Haixiao Qiu

Chemistry & Biochemistry Dissertations - Archive

High performance liquid chromatography (HPLC) has proven to be the most widely applicable and versatile technique in separation science. Hydrophilic interaction liquid chromatography (HILIC) has attracted considerable interest and has become a viable option for the separation of polar compounds. Chirality is another major concern in the modern pharmaceutical industry for two reasons: 1). the majority of bio-organic molecules are chiral; 2). enantiomers of a racemic drug may often exhibit different biological activities, pharmacokinetics, and toxicities. The field of enantiomeric separations has reached a clear level of maturity after approximately 30 years of development. However, with the continued emphasis on …

Diffusion Of Vitamin B12 Across A Mesoporous Metal Organic Framework, Veronica Valencia

Undergraduate Journal of Mathematical Modeling: One + Two

We measure the rate of uptake and the rate of release of a Vitamin B12 solution (dissolved in water) at 2 different temperatures (room temperature and 37°C) by the mesoporous metal organic framework TbMOF-100 at 1-hour intervals using a spectrophotometer. Using the Beer-Lambert law, we calculate the concentration of the stock solution based on the absorbance values obtained with the spectrophotometer. These values allow for the quantification of the initial rate of uptake and the rate of uptake at a random incubation time of the Vitamin B12 by the TbMOF-100. We also calculate the value of the coefficient of diffusion …

Study Of Dieldrin In Coralville Reservoir, Jeremy Smith

Undergraduate Journal of Mathematical Modeling: One + Two

Using existing experimental data taken over a period of roughly 12 years that documents the concentrations of dieldrin levels in the environment and fatty tissue of the fish, we construct a model of the total dieldrin concentration decline. Comparisons between the experimental data and speculative data can be made using calculus and elements of statistics in order to better understand the movement of dieldrin in the reservoir. Because of the potentially harmful exposure effects of dieldrin to humans as well as the environment, it is important to be able to predict when stability has been restored to the ecosystem.

2013 Ii Cu Suri (Common Poster), Vanessa Selimovic, Loriann Reese, Ruthie Nelson, Emma Sleeman, Hibery Ho, Maria Polozova

CUP Undergraduate Research

A common poster providing information for several research projects: aerosol particles, deoxycytidine kinase, squaraine rotaxanes, glycol nucleic acied, and Kombucha.

Drug Delivery Via Nanoparticles, Laura Ward

Natural Sciences Student Research Presentations

Much research is being conducted to investigate the potential use of nanoparticles as an efficient drug delivery system. Important characteristics of nanoparticles that affect how they interact with biological systems include size, composition ,surface characteristics and shape. One of the many potential medical uses of nanoparticles is targeted drug delivery; nanoparticles have the potential to deliver concentrated amounts of medication to select areas of the body, reducing toxic effects in healthy areas of the body.

Synthesis And Evaluation Of Some 17-Acetamidoandrostane And N,N-Dimethyl-7-Deoxycholic Amide Derivatives As Cytotoxic Agents: Structure/Activity Studies, Yanmin Huang, Jianguo Cui, Linyi Jia, Chunfang Gan, Huacan Song, Chun Zeng, Aimin Zhou

Chemistry Faculty Publications

Using pregnenolone and 7-deoxycholic acid as starting materials, some 17-acetamidoandrostane and N,N-dimethyl-7-deoxycholic amide derivatives were synthesized. The cytotoxicity of the synthesized compounds was tested in vitro against two tumor cell lines: SGC 7901 (human gastric carcinoma) and Bel 7404 (human liver carcinoma). The result showed that the blockage of the interaction of the amide group with outside groups might cause a decrease of the cytotoxicity, and an O-benzyloximino group at the 3-position of N,N-dimethyl-7-deoxycholic amide could enhance the cytotoxic activity of the compound. The information obtained from the studies provides the structure-activity relationship for these compounds and may be useful …

Chem 109: General Chemistry I—A Peer Review Of Teaching Project Benchmark Portfolio, Eric D. Dodds

UNL Faculty Course Portfolios

This portfolio has been developed for CHEM 109: General Chemistry I. The course is the first of a freshman level two semester sequence in General Chemistry taken by students with majors in a wide variety of technical and scientific disciplines. CHEM 109 is a high enrollment class, with class sizes for individual sections nearing 200 students. The development of this portfolio was conducted with the following objectives: 1. Clearly identify, justify, and codify the major learning objectives for this course, 2. Describe and rationalize the course structure and learning assessment methods, 3. Analyze and reflect on student achievement in the …

Light-Matter Interactions Of Plasmonic Nanostructures, Jennifer Reed

Electronic Theses and Dissertations

Light interaction with matter has long been an area of interest throughout history, spanning many fields of study. In recent decades, the investigation of light-matter interactions with nanostructures has become an intense area of research in the field of photonics. Metallic nanostructures, in particular, are of interest due to the interesting properties that arise when interacting with light. The properties are a result of the excitation of surface plasmons which are the collective oscillation of the conduction electrons in the metal. Since the conduction electrons can be thought of as harmonic oscillators, they are quantized in a similar fashion. Just …

Genetically Modified Myoglobin As A Mimic For Heme Enzymes, Subhash Chand

Chemistry & Biochemistry Dissertations - Archive

This study addresses the mechanistic relationships between formation of reactive oxygen species (ROS) and their catalytic oxidation functions in oxygenation and peroxygenation reactions in heme enzymes. Even though both cytochrome P450s (CYP P450s) and peroxidases have different catalytic activities, the involvement of common ROS (Compound 0 and Compound I) have been proposed. Therefore, to understand the generation and activation of peroxide to form ROS, genetically-engineered myoglobin (Mb) mutants were created by incorporating redox-sensitive 3-amino-L-tyrosine (NH2Tyr) or L-3, 4-dihydroxyphenylalanine (DOPA) into its active site. Distal His 64 replaced with redox amino acids mutant Mb showed excellent turnover rates for thioanisole and …

Investigation Of Drinking Water/Beverage Contaminants Within The Beverage Industry, Elizabeth Hobbs

Theses

The impact of water resource quality has influenced the community worldwide. It is an on-going target for water suppliers to produce suitable drinking water and the beverage industry to provide suitable water for the production of beverages. This diligence will ensure the consumer is provided with a product safe for consumption. The research and analytical techniques explored in this thesis may be of benefit to the beverage industry for the monitoring of inorganic contaminants present in water and carbonated soft drinks. The occurrence of certain contaminants in drinking water has become a major issue in the water industry in recent …

In Vivo Ultrasonic Detection Of Polyurea Crosslinked Silica Aerogel Implants, Firouzeh Sabri, Merry E. Sebelik, Ryan K. Meacham, John Dudley Boughter, Mitchell J. Challis, Nicholas Leventis

Chemistry Faculty Research & Creative Works

Background:Polyurea crosslinked silica aerogels are highly porous, lightweight, and mechanically strong materials with great potential for in vivo applications. Recent in vivo and in vitro studies have demonstrated the biocompatibility of this type of aerogel. the highly porous nature of aerogels allows for exceptional thermal, electric, and acoustic insulating capabilities that can be taken advantage of for non-invasive external imaging techniques. Sound-based detection of implants is a low cost, non-invasive, portable, and rapid technique that is routinely used and readily available in major clinics and hospitals.Methodology:In this study the first in vivo ultrasound response of polyurea crosslinked silica aerogel implants …

Kamlet Laboratories And Clinitest: Idea To Product, Dean F. Martin, Brodie A. Reiger

Chemistry Faculty Publications

This paper examines the process of development of Clinitest pills that could be used in clinics or physicians' offices for rapid, convenient analysis of glucose and other components of clinical interest. It was invented by Dr. Jonas Kamlet. We were able to follow the process because his papers are accessible (as The Kamlet Laboratories Collection) at the University of South Florida Library. The accessibility of these papers gives an opportunity to see steps in the development of a successful product from conception to patent and commercialization. Kamlet, a consulting chemist, took the invention to Miles Laboratories of Elkhart, Indiana, in …

Investigating The Interaction Of Zinc-Finger Peptides And Nicked Dna Using Phage Display, Rachel Maria Guerra

Honors Theses

Recognition of structural features of DNA such as gaps, nicks and abasic sites is critical for many DNA-binding proteins, such as those involved in DNA damage repair. This study explores a novel strategy to model these protein-DNA interactions using phage display. Phage display has been commonly used to identity zinc fingers that bind to DNA sequences, but selection of peptides that binding to specific DNA structures has not been reported in the literature. A phage library of 109 variants was created based on one of three zinc finger domains of the DNA repair protein poly (ADP-ribose) polymerase I. The library, …

Studies Of The Structural Boundaries Of Solid-State Photodimerization Reactions Via Isocoumarins And Heteromeric Assemblies, Mihiri S. Weerasinghe

Masters Theses

The study of molecules in crystals has gained considerable attention in the field of structural chemistry. Much interest has focused on the use of molecular crystals for the construction of materials with specific functional properties. Because the design of such materials requires a critical understanding of intermolecular interactions, use of the building-block approach continues to offer an important strategy to multimolecular frameworks. Though the use of template and metal-ligand interactions has provided successful opportunities to organize chemical reactions in solids, these methods require secondary molecules and are limited to achiral starting materials. As such, exploring chiral synthesis with simplified precursors …

The Effects Of Chemical Treatment And Light Exposure On Pah Concentrations In Biochar, Fathima Nadheesha Muhammed Khalid

Masters Theses

A series of experiments quantifying extractable polycyclic aromatic hydrocarbons (PAHs) in biochar before and after various treatments were conducted. The analytical approach included solvent extraction of PAHs with toluene, further isolation and column cleanup before gas chromatography mass spectroscopy (GC-MS) analysis. The treatment methods include exposing biochar samples to sunlight and UV radiation with and without additives and reacting with hydrogen peroxide.

Two biochar samples from the Eastern Illinois University bench-type gasifier and commercial biochar were analyzed. Analyzing of three biochar types revealed that plant biochar has lower total PAH concentration than wood (W) biochar or wood and plant (giant …

Membrane Surface Charges Attracted Protons Are Not Relevant To Proton Motive Force, James Weifu Lee

Chemistry & Biochemistry Faculty Publications

[First Paragraph] Only a half-century ago, British scientist Peter Mitchell proposed the conceptual scheme known as "chemiosmotic theory" that identified the role of proton coupling in the formation of ATP in cells [1,2]. Mitchell's delocalized proton-coupling chemiosmotic theory was initially quite controversial. But it would win for him the Nobel Prize in Chemistry in 1978. However, questions about Mitchell's chemiosmotic hypothesis have never gone away and a number of credible studies indicated the full extent of Mitchell's idea didn't always hold up to experience.

Removal Of Cr(Iii) And Cu(Ii) Using Oly(2-Chloroaniline)/Polyvinylidenefluoride Composite Cation-Exchange Membranes By Donnan Dialysis, Esengül Kir, Sabri̇ye Perçi̇n Özkorucuklu, Tuğba Sardohan Köseoğlu, Esi̇n Karamizrak

Turkish Journal of Chemistry

P2ClAn/PVDF composite membranes were prepared utilizing cation-exchange groups in the PVDF (polyvinylidenefluoride) membrane matrix by casting method. The poly(2-chloroaniline) (P2ClAn) was chemically synthesized with different dopant anions such as o-aminobenzene sulfonic acid (ABS) and sodium dodecyl sulfate (SDS). P2ClAn/PVDF membranes were extensively characterized for their surface morphology, thickness, ion-exchange capacity, SEM, AFM, and FTIR-ATR measurements. The SEM, AFM and FTIR-ATR pictures, comparing the original PVDF membrane support sheet to P2ClAn/PVDF composite membranes, indicate that the morphologies of the membranes are different. The membrane potential measurements were performed in various electrolyte solutions in order to observe the selectivity and stability of …

New Synthetic Methodology For Construction Of The 3,4-Dihydroquinolin-2-One Skeleton, Çağatay Dengi̇z, Meti̇n Balci

Turkish Journal of Chemistry

We hereby report a new method for preparation of 3,4-dihydroquinolin-2(2H)-one starting from the methyl 2-(2-carboxyethyl)benzoic acid. The acid functionality, adjacent to the methylene, was regiospecifically converted to the desired methyl ester and the remaining acid functionality was transferred into acyl azide. Curtius rearrangement of acyl azide followed by trapping with aniline and alcohols provided the corresponding urea and urethane derivatives. Hydrolysis of methyl ester groups gave the acids. Ring closure in the presence of thionyl chloride resulted in the formation of the 3,4-dihydroquinolin-2(2H)-one skeleton.

A One-Pot Strategy For Regioselective Synthesis Of 6-Aryl-3-Oxo-2,3-Dihydropyridazine-4-Carbohydrazides, Mehdi Rimaz, Hossein Mousavi

Turkish Journal of Chemistry

A simple and efficient method for the synthesis of 6-aryl-3-oxo-2,3-dihydropyridazine-4-carbohydrazide derivatives was developed. The synthesis was achieved via one-pot multicomponent reaction of arylglyoxals, dialkylmalonates, and hydrazine hydrate in pyridine at room temperature. This procedure features high regioselectivity, generally good to excellent yields, the use of easily available starting materials, and operational simplicity. This chemistry provides an efficient and promising synthetic strategy for diversity-oriented construction of the 6-arylpyridazinone skeleton.

Exploring Distinct Binding Site Regions Of \Beta_2-Adrenergic Receptor Via Coarse-Grained Molecular Dynamics Simulations, Si̇bel Çakan, Ebru Demet Akdoğan

Turkish Journal of Chemistry

\beta_2-Adrenergic receptor (\beta_2AR) is a G protein- coupled receptor that is highly flexible and able to recognize a wide range of ligands through its conformational variations. Active and inactive conformations revealed by recent crystallographic experiments do not provide a complete dynamic picture of the receptor, especially in the binding site. In this study, molecular dynamics (MD) simulation through a residue-based coarse-grained model is used as an alternative and efficient method to explore a wider conformational search space. The system was composed of \beta_2AR embedded into a 1-palmitoyl-2-oleoyl-phosphatidylcholine membrane bilayer with surrounding water. A total of 6 \mu s of simulation …

Asymmetric Synthesis Of \Alpha-(Heteroaryl)Alkylamines And \Alpha -Amino Acids Via Nucleophilic 1,2-Addition Of Lithiated Heterocycles To Aldehyde Samp-Hydrazones, Dieter Enders, Giuseppe Del Signore, Gerhard Raabe

Turkish Journal of Chemistry

The asymmetric synthesis of \alpha-(heteroaryl)alkylamines was accomplished by employing a diastereoselective nucleophilic 1,2-addition of lithiated aromatic heterocycles to aldehyde SAMP-hydrazones, followed by BH_3 . THF or SmI_2 promoted removal of the chiral auxiliary. The CBz or benzoyl-protected amines were obtained in good yields (40\%--78\%) and excellent enantiomeric excesses (ee = 88\%--99\%). The methodology can be applied to the synthesis of highly enantioenriched \alpha-amino acids (ee = 90\%--99\%).

Dft Study Of Tautomerism In Aklavinone, Burhan Lemi̇ Türker

Turkish Journal of Chemistry

Aklavinone has an anthraquinone-based chromophore and its backbone highly resembles the kernel of some anthracycline antibiotics that possess anticancer activity, e.g., daunomycin. Since aklavinone's structure possesses many --OH groups and 2 keto groups, it is quite probable that certain tautomeric equilibria may occur. Presently, aklavinone prototropic tautomers possessing embedded anthraquinone moiety have been investigated quantum chemically by using density functional theory at the levels of RB3LYP/6-31G(d) and RB3LYP/6-31G(d,p). Additionally, IR spectra of the tautomers were calculated. Moreover, the phenolate ions obtained from the most stable tautomer in water were considered, and the protonation of this tautomer at various possible sites …

Calixarene-Based Receptors For Molecular Recognition, Mustafa Yilmaz, Serkan Erdemi̇r

Turkish Journal of Chemistry

Calixarene-based molecular receptors have been a widely developing area in material science and technology for the last few decades. Due to their bowl-shaped geometry, calixarene macrocycles are used as hosts allowing organic and inorganic guests to coordinate/sorb onto their cavity. This work briefly reviews the recent development of calixarenes.

Terpenoids, Essential Oil Composition, Fatty Acid Profile, And Biological Activities Of Anatolian Salvia Fruticosa Mill., Gülaçti Topçu, Mehmet Öztürk, Tuba Kuşman, Ayşe Asli Barla Demi̇rkoz, Ufuk Kolak, Ayhan Ulubelen

Turkish Journal of Chemistry

The hexane and dichloromethane extracts, obtained by re-extraction of the methanol extract of Salvia fruticosa Mill., afforded 7 diterpenoids (carnosol, carnosic acid, carnosic acid 12-methyl ether, rosmadial, isorosmanol, ferruginol, and manool), 4 triterpenoids (\alpha -amyryltetracosanoate, oleanolic acid, ursolic acid, and erythrodiol), a steroid (3-acetylsitosterol), and a flavone (salvigenin). The galls (apples) of the collected plant were separately extracted with hexane to afford fatty acids composed mainly of oleic acid (29\%), palmitoleic acid (29\%), and stearic acid (23.20\%), which exhibited high anticholinesterase activity, particularly against BChE. The essential oil, obtained from the aerial parts of the plant, exhibited high AChE inhibitory …

Optimization Of A Gas Chromatography--Mass Spectrometry Method Using Chemometric Techniques For The Determination Of Ezetimibe In Human Plasma, Ebru Uçaktürk, Nuran Özaltin

Turkish Journal of Chemistry

A new, rapid, and sensitive gas chromatography--mass spectrometry (GC-MS) method was developed for the determination of ezetimibe (EZE) in human plasma. EZE was derivatized prior to GC-MS analysis. Various derivatization techniques such as acetylation, methylation, and silylation were tried. EZE was extracted from plasma with high recovery (94.39%--97.57%) using methyl tertbutyl ether and carbonate buffer (pH 9). Chromatographic conditions were optimized using chemometric methods. In the first step, optimization with factorial design, chromatographic variables (initial and final column temperature, oven ramp rate, and flow rate of gas) were screened to select important variables for the retention of EZE. In the …