Chemistry Commons^™

First-Principles Study Of The Electric Field Effect On The Water-Adsorbed Rutile Titanium Dioxide Surface, Abraham L. Hmiel

Legacy Theses & Dissertations (2009 - 2024)

TiO₂ is a semiconducting material that has been used extensively in many industrial applications, and recently has become a candidate for photocatalytic water splitting, fuel cell anode support materials, sensors, and other novel nanodevices. The interface of TiO2 with water, historically well-studied but still poorly understood, presents a ubiquitous environmental challenge towards the ultimate practical usefulness of these technologies. Ground-state density functional theory (DFT) calculations studying the characteristics of molecular adsorption on model surfaces have been studied for decades, showing constant improvement in the description of the energetics and electronic structure at interfaces. These simulations are invaluable in the …

Improving The Microbial Source Tracking Toolbox : Evaluating The Use Of Selective Enrichments And Artificial Sweeteners In A Multi-Tiered Approach, Stacey A. Helming

Legacy Theses & Dissertations (2009 - 2024)

Microbial contamination of surface waters is a public health concern world-wide, with non-point source fecal input contributing to millions of cases of waterborne illness annually. Numerous techniques have been proposed to monitor for non-point source fecal contamination, but few studies have explored the correlation of multiple chemical and microbial fecal source tracking markers in ambient waters. Therefore, the purpose of these studies was to evaluate the use of multiple "ideal" markers of fecal contamination and improve upon any analytical techniques required to identify species-specific fecal contamination in surface waters. The use of selective enrichments to improve the sensitivity of end-point …

Spatial And Seasonal Variability Of Cloud Condensation Nuclei Number Concentrations Over The Extended North African Continent And The Mediterranean, Hesham Abdel-Monem Afify Hassan

Legacy Theses & Dissertations (2009 - 2024)

The spatiotemporal variability of cloud condensation nuclei (CCN) number concentration is investigated over the extended domain of the North African continent and Mediterranean which is an essential step for better understanding of aerosol-cloud interactions and associated climate impacts over the region. The study is performed by analyzing the output for the period from 2004 to 2011 from the well-validated global chemistry and aerosol transport model GEOS-Chem-APM. The analysis shows that the dominant aerosol type for CCN number concentration is secondary particles all over the domain. Spatial analysis reveals the existence of four characteristic subdomains of variability: over the Mediterranean and …

Analysis Of Mass Fragmentation Patterns Using Dart-Ms And Gcms For Drugs Of Abuse, Teresa Anne O'Neill

Legacy Theses & Dissertations (2009 - 2024)

Drugs of abuse have been a major problem for law enforcement departments. The structures of the drugs, as well as the ever changing trends in abuse, make it difficult and time consuming to analyze using modern techniques such as GC-MS. DART-MS is a rapid technique that requires no pre-treatment or re-concentration to analyze a sample. Samples of amphetamines, cathinones and cannabinoids were analyzed using DART-MS and GC-MS in order to provide fragment patterns that would make it easier to identify an unknown drug. Using DART-MS, isomers can be differentiated as well as identified rapidly, which is an advantage over GC-MS. …

Raman Spectroscopy Of Blood Serum And Cerebrospinal Fluid And Multivariate Data Analysis For Alzheimer's Disease Diagnostics, Elena Ryzhikova

Legacy Theses & Dissertations (2009 - 2024)

The efficient and accurate diagnosis at the early stages of dementia is a key moment for effective treatment and productive research to find a new ways to combat the disease. It is especially true for Alzheimer's disease (AD) for which there is no effective cure, but several treatments are known to allow slowing down the degenerative processes. Alzheimer's disease (AD) displays only non-specific clinical symptoms of mental decline for decades after the initiation and is very challenging to differentiate even at the later stages when it becomes very aggressive. Despite the great need, current diagnostic tests are unable to diagnose …

Uncovering Organosulfur Natural Products In The "Shy-Plant" Mimosa Pudica Via Direct Analysis In Real Time Mass Spectrometry : Volatiles Emission From Touch Sensitive Roots, Max Jacob Maron

Legacy Theses & Dissertations (2009 - 2024)

Mimosa pudica L. (Mimosaceae) is a small shrub endemic to South America, now pantropically distributed. M. pudica displays the properties of seismonasty where the leaves fold and stems droop in response to both touch, as well as nyctinasty, a type of circadian rhythm. It was previously reported that the principal component of the odor that is produced when M. pudica is uprooted is caused by CS2 and COS, both of which were detected by GC-MS. The present study has found that the roots emit a foul odor in response to direct root stimulation. Further, neither CS2 nor COS were observed …

Quantification Of Free Sialic Acid In Human Plasma Through A Robust Quinoxalinone Derivatization And Lc–Ms/Ms Using Isotope-Labeled Standard Calibration, Dan Wang, Xiang Zhou, Lin Wang, Sihe Wang, Xue-Long Sun

Chemistry Faculty Publications

We report an accurate quantification of free sialic acid (SA) in human plasma using LC–MS/MS method with isotope-labeled standard calibration (ILSC) and robust derivatization. Specifically, derivatization of SA with a stable and inexpensive 3,4-diaminotoluene (DAT) provides a stable product of SA with high MS response, proving a convenient and cost-effective LC–MS/MS analysis of free SA. In addition, the use of ¹³C₃-SA as calibration standard ensured the accuracy for the measurement. This assay used ultra high performance liquid chromatography (UHPLC) for separation of native/labeled SA and IS from matrix interference, and employed mass spectrometry in multiple reaction monitoring …

Injectable Versus Inhalational Anesthesia In Veterinary Medicine, Samantha D. Christ

Natural Sciences Student Research Presentations

Is the better, safer choice in small animal surgery injectible or inhalational anesthsesia? This poster outlines the advantages and disadvantages of the two, with a focus on two widely-used anesthetics, Ketamine and Isoflurane. This project is from the Natural Science Poster Session at Parkland College

Periactin, Sarah A. Johnson

Natural Sciences Student Research Presentations

Poster examines the chemical makeup of Periactin, generic name Cyproheptadine Hydrocholoride. Classified as an antihistamine or antipruritic, the labeled uses for Periactin are for symptomatic relief of various allergic conditions. Periactin can also be used for the following unlabeled uses: Cushing's disease, carcinoid syndrome, vascular headaches, and as an appetite stimulant.

Basic Mosfet Fabrication, Daniel A. Ivy

Natural Sciences Student Research Presentations

The MOSFET, or metal-oxide-semiconductor field-effect transistor, are the sole entities responsible for processing in microchips of everyday electronics, yet they have become extremely small. How can one manufacture such a small, powerful product? By using the simple process of pushing ions away with a nearby electric charge, a switch can be compressed down to unimaginable sizes.

Is Your Wine Breathing Too Much?, Madison L. Cooper

Natural Sciences Student Research Presentations

This poster compares two studies on oxygen concentration in wine, one by Dr. Milena Lambri and the other by Nikolaos Kontoudakis. This is a poster for the Natural Sciences Poster Session at Parkland College

Focalin Xr: Dexmethylphenidate Hydrochloride, Andrea L. Sullivan

Natural Sciences Student Research Presentations

This poster presented at the Natural Sciences Poster Session features the cerebral stimulant Focalin XR, or Dexmethylphenidate Hydrochloride. It identifies names and uses, and illustrates its chemical makeup.

How Environmental Conditions Affect Cattle Diets, Kalynne R. Ewerks

Natural Sciences Student Research Presentations

This poster presented at the Natural Sciences Poster Session at Parkland College, outlines a study that shows that protein content in animal feed is decreased by increased temperatures and briefly identifies measures that might be taken to counteract an impact on food supply.

Gertrude B. Elion, Kelli N. Brost

Natural Sciences Student Research Presentations

This poster for the Natural Sciences Poster Session at Parkland College describes the accomplishments of Gertrude B. Elion, a biochemist and pharmacologist. Elion developed multiple anticancer, antivirals, and autoimmune drugs.

Leukeran, Leslie R. Hunt

Natural Sciences Student Research Presentations

Leukeran (generic name Chlorambucil) is used alone or with other antineoplastics to treat chronic lymphocytic leukemia, malignant lymphomas, Hodgkin's disease, giant follicular lymphoma, and cancers of the ovaries, breast, and testes. Unlabled uses include treatment of nonneoplastic conditions such as vasculitis complicating rheumatoid arthritis, autoimmune hemolytic anemias associated with cold agglutinins, lupus glomerulonephritis, idiopathic nephrotic syndrome, polycythenmia vera, and macroglobulinemia.

Caffeine + L-Theanine: Uses And Effects, Julia Dueease

Natural Sciences Student Research Presentations

When combined caffeine and l-theanine, two prominent components found in tea, create better reaction times, accuracy, and positive moods. This is a Powerpoint presentation created for the Natural Science Poster Session at Parkland College

Murchison Chondrite, Marisol Chirinos

Natural Sciences Student Research Presentations

Murchson Chondrite is a carbonaceous meteorite that fell in a small town called Murchson in Victoria, Australia, on September 28, 1969. It is believed to be one of the most primitive meteorites to fall on earth. Amino acides found in Murchison differ in structures from amino acids found on Earth. While the carbon atom in the carboxylic acid and amion group of biological terrestrial amino acids have a hydrogen atom attached to it, the Murchison's amino acids have a methyl group instead.

An Inexpensive, Temporally Integrated System For Monitoring Occurrence And Biological Effects Of Aquatic Contaminants In The Field, Michael D. Kahl, Daniel L. Vileneuve, Kyle Stevens, Anthony Schroeder, Elizabeth A. Makynen, Carlie A. Lalone, Kathleen M. Jensen, Meagan Hughes, Bruce A. Holmen, Evan Eid, Elizabeth J. Durhan, Jenna E. Cavallin, Jason Berninger, Gerald T. Ankley

United States Environmental Protection Agency: Publications

Assessment of potential risks of complex contaminant mixtures in the environment requires integrated chemical and biological approaches. In support of the US Great Lakes Restoration Initiative, the US Environmental Protection Agency lab in Duluth, MN, is developing these types of methods for assessing possible risks of aquatic contaminants in near-shore Great Lakes (USA) sites. One component involves an exposure system for caged fathead minnow (Pimephales promelas) adults suitable for the wide range of habitat and deployment situations encountered in and around the Great Lakes. To complement the fish exposure system, the authors developed an automated device for collection of composite …

Atmospheric Mercury Species In Northern Mississippi: Concentrations, Sources, Temporal Patterns, And Soil-Air Exchange, Yi Jiang

Electronic Theses and Dissertations

Mercury is a highly toxic element that is found both naturally and as an introduced contaminant in the environment. The majority of Mercury released to the environment is into the atmosphere, where because of its high volatility and long residence time is dispersed globally. In order to better understand the factors controlling the distribution and temporal patterns of atmospheric Mercury species, as well as the sources of airborne Mercury in the mid-south region, concentrations of gaseous elemental mercury (gem), gaseous oxidized mercury (gom), and particulate-bound mercury (pbm), along with meteorological parameters and other ancillary data, were collected for more than …

Noncovalent Interactions Involving Microsolvated Networks Of Trimethylamine N-Oxide, Kristina Andrea Cuellar

Electronic Theses and Dissertations

This thesis research focuses on the effects of the formation of hydrogen-bonded networks with the important osmolyte trimethylamine N-oxide (TMAO). Vibrational spectroscopy, in this case Raman spectroscopy, is used to interpret the effects of noncovalent interactions by solvation with select hydrogen bond donors such as water, methanol, ethanol and ethylene glycol in the form of slight changes in vibrational frequencies. Spectral shifts in the experimental Raman spectra of interacting molecules are compared to the results of electronic structure calculations on explicit hydrogen bonded molecular clusters. The similarities in the Raman spectra of microsolvated TMAO using a variety of hydrogen bond …

Structural Analysis Of Bulky Thiolate-Protected Gold Nanomolecules, David Walton Crasto

Electronic Theses and Dissertations

Routine preparation of thiolate-protected gold nanomolecules involves, most commonly, straight-chain organic thiolate ligands for which the sulfhydryl `head' group is bound to a primary carbon atom. The primary connectivity of these sulfur atoms, such as for the case of n-hexanethiol and phenylethanethiol, allows for even packing, and the relative ease of formation of gold-thiolate oligomers about the surface monolayer in the formation of Au-SR bonds. Moreover, these straight-chain ligands routinely support the formation of an icosahedron-based series of core-size gold nanomolecules. Within this series of nanoparticles, Au25(SR)18 and Au38(SR)24 are among the most commonly studied core-sizes; Au25(SR)18 is situated upon …

Synthesis And Electrochemical And Spectroelectrochemical Characterization Of Chloromanganese(Iii) Phthalocyanines, Mukaddes Özçeşmeci̇, Ilgin Nar, Esi̇n Hamuryudan

Turkish Journal of Chemistry

The synthesis of novel, symmetrical, tetrasubstituted manganese phthalocyanine complexes bearing 4 hexylthio, 2',3',4',5',6'-pentafluorobenzyloxy, 2',3',5',6'-tetrafluoro-4'-hexylthio-benzyloxy, and 2',3',5',6'-tetrafluoro-4'-pentoxy-benzyloxy units is reported. The new compounds have been characterized by using elemental analyses and UV-Vis, FT-IR, and mass spectroscopic data. The electrochemical properties of the manganese phthalocyanine complexes were investigated by cyclic and square wave voltammetry and the nature of the observed redox processes was studied by spectroelectrochemistry.

Synthesis Of 4'-O-Glycopyranosyl Paromomycin Aminoglycoside Antibiotics: Influence Of The Glycoside On Antiribosomal, Antibacterial Activity And Utilization Of Electrospray Ionization Mass Spectrometry To Evaluate Reactivity Of Glycosyl Phosphate, Weiwei Chen

Wayne State University Theses

The data in this thesis is trying to address two problems. The first problem is paromomycin associated ototoxicity; the second problem is the lack of precise reactivity data of glycosyl donors in one-pot synthesis.

Paromomycin is out of the market as an antibiotic due to its ototoxicity. Previous work done by Vasella and Böttger's groups identified 4'-O position of paromomycin as a promising site of modification to reduce the side effect. A series of 4'-O-glycopyranosyl paromomycin has been synthesized and tested for their biological activity and selectivity. From the results of anti bacterial ribosomal activity, anti hybrid ribosomal activity and …

Biophysical Studies Of Mutant H69 Rna Constructs, Daya Nidhi Kharel

Wayne State University Theses

The importance of helix 69 (H69) of the large ribosomal subunit is emphasized by its location in the ribosome and key contacts with protein factors and tRNAs during different steps of protein synthesis. The presence of three highly conserved pseudouridine modifications in H69 has a significant impact on modulation of the ribosome conformations. Specific nucleotides of H69 may be necessary for the function of this helix-loop RNA, as some mutations are deleterious to bacterial growth. In this study, we investigated the effects of single nucleotide mutations in a 19-nucleotide H69 construct with and without pseudouridines on the RNA stability and …

Genetic And Biochemical Studies Of Human Apobec3h Enzyme, Thisari Sachithra Aluthgama Guruge

Wayne State University Theses

The AID/APOBEC enzymes are DNA/RNA cytosine deaminases with important functions in innate and adaptive immunity. APOBEC3 enzymes play a crucial role in restricting the replication of exogenous retroviruses such HIV-1 and endogenous retrotransposition events. In particular, APOBEC3 enzymes have evolved in humans by gene duplication to compose seven members. APOBEC3H is highly diverse in its allelic sequence and the distribution is population-specific. It has evolved under strong positive selection over millions of years. To study the catalytic mechanism, structure, function and the underlying cause of its high diversity, a high resolution crystal or NMR structure is required are not yet …

Synthesis And Characterization Of Brain Penetrant Prodrug Of Neuroprotective D264: Potential Disease Modifying Treatment Agent For Parkinson's Disease, Fahd Shamoon Dholkawala

Wayne State University Theses

Parkinson's disease (PD) is a complex neurodegenerative disorder with progressive loss of dopamanergic neurons in the substantia nigra region of the brain and accumulation of intracytoplasmic inclusions called `Lewy bodies'. PD is characterized by tremors, rigidity, slowness of movement, bradykinesia and postural imbalances. Although the etiology of PD is not well understood, it is well established that oxidative stress, mitochondrial dysfunction, alpha-synuclein aggregation play a central role in the pathogenesis of PD. Current treatment methods are based on symptomatic relief without addressing the underlying pathophysiological factors responsible for the disease. It is important to develop therapies which can address these …

The Use Of Liquid Chromatography And Subcritical Fluid Chromatography For Chiral Separations Using Macrocyclic Chiral Stationary Phases: Insights Into Mechanisms Of Retention And Chiral Discrimination, Ross M. Woods

Chemistry & Biochemistry Dissertations - Archive

Enantiomeric separations are an essential component of pharmaceutical drug development, not only at the analytical scale, but also to separate usable quantities for further analysis. The field of asymmetric synthesis is also heavily dependent on chromatographic methods to separate and quantitate the results of asymmetric transformations as well as characterize new ligands and catalysts. This dissertation focuses on the use of macrocyclic chiral stationary phases for use in high performance liquid chromatography as well as subcritical fluid chromatography to separate individual enantiomers of molecules of importance to the scientific community. Optimized separation conditions are provided for many of these important …

The Ph Dependence Of Photosystem Ii Oxygen-Evolving Complex Assembly, Emilee Hope Cook

Theses, Dissertations and Capstones

Photosystem II (PSII) research has gained interest in recent years due to the need for energy production. However the mechanisms of photosystem II photoassembly and water oxidation are not well understood. Therefore the main goal of my research was to understand photoassembly better by determining the pH dependence of oxygen evolving complex (OEC) assembly. These experiments could help to gain a better understanding of D1 (a subunit of photosystem II) degradation and PSII repair as well as determine the amino acid residues involved in the process. However, we had several issues with photoassembly along the way that had to be …

N-Heterocyclic Carbene (Nhc) Palladium(Ii) Complexes Bearing Chiral Oxazoline Ligands And Their Catalytic Activities In Allylic Alkylation Reactions, Serpi̇l Deni̇zalti, Hayati̇ Türkmen, Beki̇r Çeti̇nkaya

Turkish Journal of Chemistry

NHC--Pd(II) complexes bearing a chiral oxazoline ligand (IIIa--f) were synthesized by cleavage of dimeric palladium complexes with the oxazoline ligand. They were fully characterized by ^1H and ^{13}C NMR and elemental analyses. The catalytic activity of the complexes (IIIa--f) in allylic alkylation reactions was evaluated. The complex IIIa was found to be the most active catalyst. Very low ee values indicate that the oxazoline is dissociated from the active catalytic species.

Nature Of Second-Order Nonlinear Optical Response In Phthalocyanine Derivatives: A Density Functional Theory Study, Chiming Wang, Chao Chen, Qingqi Zhang, Dongdong Qi, Jianzhuang Jiang

Turkish Journal of Chemistry

Density functional theory was employed to investigate a series of phthalocyanine derivatives, discovering the limitation when the expansion of the conjugated system was employed to improve the hyper-Rayleigh scattering response coefficient. Furthermore, an unusually C_{\infty v}-type octupolar population was found by electrostatic potential analysis. In addition, the dynamic and static hyper-Rayleigh scattering responses (\beta_{HRS}) were simulated using the coupled perturbed density functional theory, showing an increasing dynamic \beta_{HRS} value along with an increase in incident light energy.