Chemistry Commons^™

Combating The Whitewashing And Male Bias Of The Chemistry Curriculum, Elizabeth Gorton, Harold Gee Iii, Herbert R. Fynewever

Summer Research

There are many more significant chemists of color and female chemists. Most textbooks don't include them, because the curriculum is based toward a white male perspective.

First Ionization Energy As The Asymptotic Limit Of The Average Local Electron Energy, Amer M. El-Samman, Egor Ospadov, Viktor N. Staroverov

Chemistry Publications

The first vertical ionization energy of an atom or molecule is encoded in the rate of exponential decay of the exact natural orbitals. For natural orbitals represented in terms of Gaussian basis functions, this property does not hold even approximately. We show that it is nevertheless possible to deduce the first ionization energy from the long-range behavior of Gaussian-basis-set wavefunc- tions by evaluating the asymptotic limit of a quantity called the average local electron energy (ALEE), provided that the most diffuse functions of the basis set have suitable shape and location. The ALEE method exposes subtle qualitative differences between seemingly …

Asymptotic Behavior Of The Average Local Ionization Energy In Finite Basis Sets, Amer M. El-Samman, Viktor N. Staroverov

Chemistry Publications

The average local ionization energy (ALIE) has important applications in several areas of electronic structure theory. Theoretically, the ALIE should asymptotically approach the first vertical ionization energy (IE) of the system, as implied by the rate of exponential decay of the electron density; for one-determinantal wavefunctions, this IE is the negative of the highest-occupied orbital energy. In practice, finite-basis-set representations of the ALIE exhibit seemingly irregular and sometimes dramatic deviations from the expected asymptotic behavior. We analyze the long-range behavior of the ALIE in finite basis sets and explain the puzzling observations. The findings have implications for practical calculations of …

Solid State Chemi-Resistors: A Promising Solution Of Heavy Metals In Africa, Munirat Idris

Africa Western Collaborations Day 2020 Abstracts

No abstract provided.

Expression And Cell Surface Re-Engineering Of Thrombomodulin On Macrophages, Mallorie L. Boron

ETD Archive

Thrombomodulin (TM) is a transmembrane glycoprotein that is primarily expressed on the surface of endothelial cells, where it serves as a receptor of thrombin for protein C activation, which regulates coagulation and inflammation. Research has revealed that TM is also expressed in immune cells, including monocytes and macrophages, however, its function is unclear. In this dissertation study, the TM expression in THP-1 monocytes upon their differentiation to macrophages was profiled. Due to the beneficial roles of TM, the protein has caught the attention to be used as a therapeutic. A recombinant form of TM can be expressed that contains EGF-like …

Determination Of Dynorphins And Tnf- A By Lc-Ms/Ms In Biological Samples: Applicable To Studying Inflammatory Mechanisms, Karthik Chandu

ETD Archive

Dynorphins are endogenous opioid peptides that have been implicated as initiators ofimmune and inflammatory response through upregulation ofinflammatory cytokine and chemokine production, as well having a role in glutamate-induced neuro-inflammation and neurotoxicity. Being extremely potent peptides, the physiologic concentrations of dynorphins are very low ranging from 0.16 pg/mL during the absence of a stimulus to 23.5 pg/mL when stimulated in disease condition. Previously published HPLC-mass spectrometry techniques have insufficient detection capabilities for quantification and detection ofdynorphins. As a result, immunoassay quantification has been the most utilized technique for analysis of dynorphins in physiologic samples. Although being sensitive, immunoassays have some …

Computational Modeling Of Coumarin Acidity, George Du Laney, Leah Knoor, Mark Muyskens

Summer Research

This summer’s research focused on the photoacidic behavior of hydroxylated coumarins.

A photoacid has two primary pKa values : ground state (pKa ) and excited state (pKa *). Computational modeling was used to predict these values.

Exploring The Scope And Limitations Of The Oxidative Deamination Of N-Acetyl Neuraminic Acid, Mohammed Bakr Hawsawi

Wayne State University Dissertations

Sialic acids are molecules of importance in the fields of carbohydrate chemistry and glycoscience, and their diversity make them even more attractive to scientific research. Modifications of sialic acid derivatives may lead to several biological and chemical features that can be utilized for medicinal purposes. The modern drug therapy is dependent on the chemical discoveries of potent and effective molecules. N-Acetyl neuraminic acid is the parent and most common molecule in sialic acid family that received considerable attention in glycochemical research. This dissertation explores the scope as well as the limitations of the Zbiral oxidative deamination of N-acetyl neuraminic acid …

Majestic - Prappe Metals Data, Brian Majestic

Chemistry and Biochemistry: Data Sets

No abstract provided.

In Situ Cultivation Of Potential Pah Degrading Bacteria From Coastal Sediment, Kyle Benkel

Honors Undergraduate Theses

Oil spills can introduce potentially carcinogenic pollutants, such as polycyclic aromatic hydrocarbons (PAHs), into coastal environments. Bioremediation uses the natural microorganisms in the environment to remove these pollutants. Traditional studies of these organisms are limited in the types of bacteria isolated due to the limitations of traditional culturing methods. In this study, diffusion chambers were used to culture and isolate potential PAH degrading bacteria from the coastal sediment obtained from the Chandeleur Islands. The diffusion chambers trapped bacteria in agar that contained 1 ppm benzo[a]pyrene. The bacteria were isolated from the diffusion chambers, and the 16S rRNA gene was sequenced …

Detection Of A Peptide Hormone - Somatostatin - Label-Free Split-Aptameric Probes, Charles A. Dowis

Honors Undergraduate Theses

Peptide hormones are important biomolecules that transduce downstream effects such as cell proliferation, regulation, and gene expression. Their levels have been upregulated in various disorders such as cancer, yet detection methods are lacking. We designed two split aptamer-based assays for the detection of a peptide hormone – Somatostatin (SST) – with different signal readouts: fluorescent readout based on light-up aptamers and the colorimetric readout of ABTS peroxidation from a G-quadruplex. We used an already selected split-aptamer –SSTA5–for SST for our designs and we had expected the developed detection systems to exhibit detection and quantification capabilities that would hopefully allow their …

Development Of A Computer Algorithm For Generation Of Primers For Nucleic Acid Sequence Based Amplification (Nasba), Rohit Karnati

Honors Undergraduate Theses

Nucleic acid sequence based amplification (NASBA) is a primer based isothermal method of RNA/DNA amplification. Currently, primer design for NASBA has been restricted to hand creating sequences of oligonucleotides that must follow a set of rules to be compatible for the amplification process. This process of hand-creating primers is prone to error and time intensive. The detection of mutants, post amplification, also offers a benefit in point of care scenarios and the design of hybridization probes for sequences in the region of amplification is also an erroneous and time intensive process. By creating a program to design primers and hybridization …

Synthesis Of Polyacrylic Acid - Dopamine Nanoparticles As Radical Scavengers For Antioxidant Applications, Russell D. Cox

Honors Undergraduate Theses

The antioxidant activity of novel drugs has been of increasing interest in recent years. Free radicals are linked as a cause to many diseases such as atherosclerosis and cancer,1 so development of drugs that can scavenge and break down free radicals is needed. One such potential solution is using dopamine, which is water-soluble and an antioxidant. However, the tendency of antioxidant drugs reacting undesirably with proteins and other biochemical compounds is a big issue for the drugs' antioxidant potential. One solution is by encapsulating the antioxidant compound in biocompatible polymer nanoparticles. In this project, dopamine is bound to the polymer …

Chemometric Analysis Of Multidimensional Fluorescence Data Recorded From Benzo[A]Pyrene Metabolites In Shpol'skii Like Matrixes, Mohammadreza Chehelamirani

Electronic Theses and Dissertations, 2020-2023

This dissertation extends the application of Shpol'skii spectroscopy to polar metabolites in polar organic solvents. For the first-time, we reported experimental evidence on the line-narrowing effect caused by primary alcohols on the spectral features of PAH metabolites at 77 K and 4.2 K. The effect of primary alcohols (RCH2OH) on the 77 K and 4.2 K fluorescence characteristics of PAH metabolites showed the best spectral narrowing when matching the length of the alkyl group (R) of the primary alcohol to the length of the n-alkane that best fitted the dimensions of the parent PAH. The spectral narrowing and the fluorescence …

Thermal Atomic Layer Deposition Of Silver Metal Films: Synthesis And Characterization Of Thermally Stable Silver Metal Precursors, Harshani Jayabahu Arachchilage

Wayne State University Dissertations

ABSTRACT

THERMAL ATOMIC LAYER DEPOSITION OF SILVER METAL FILMS: SYNTHESIS AND CHARACTERIZATION OF THERMALLY STABLE SILVER METAL PRECURSORS

by

HARSHANI JAYABAHU ARACHCHILAGE

August 2020

Advisor: Professor Charles H. Winter

Major: Chemistry (Inorganic)

Degree: Doctor of Philosophy

Traditional film deposition techniques such as PVD and CVD are widely used in the microelectronics industry. However, the lack of thickness control and conformality requirements limit these techniques for current and future applications. By contrast, ALD offers the deposition of ultra-thin conformal films with accurate thickness control due to the self-limiting growth behavior. Ag metal has the lowest resistivity (1.59 µΩ cm) of all …

Cr Reprograms Acetyl-Coa Metabolism And Induces Long-Chain Acyl-Coa Dehydrogenase And Crat Expression, Volha Mezhnina, Ryan Pearce, Allan Poe, Nikkhil Velingkaar, Artem Astafev, Oghogho P. Ebeigbe, Kuldeep Makwana, Yana Sandlers, Roman V. Kondratov

Chemistry Faculty Publications

© 2020 The Authors. Aging Cell published by the Anatomical Society and John Wiley & Sons Ltd. Calorie restriction (CR), an age delaying diet, affects fat oxidation through poorly understood mechanisms. We investigated the effect of CR on fat metabolism gene expression and intermediate metabolites of fatty acid oxidation in the liver. We found that CR changed the liver acylcarnitine profile: acetylcarnitine, short-chain acylcarnitines, and long-chain 3-hydroxy-acylcarnitines increased, and several long-chain acylcarnitines decreased. Acetyl-CoA and short-chain acyl-CoAs were also increased in CR. CR did not affect the expression of CPT1 and upregulated the expression of long-chain and very-long-chain Acyl-CoA dehydrogenases …

Combined Ligand And Structure-Based Virtual Screening Approaches For Identification Of Novel Ache Inhibitors, Kader Şahi̇n, Serdar Durdaği

Turkish Journal of Chemistry

The excessive activity of acetylcholinesterase enzyme (AChE) causes different neuronal problems, especially dementia and neuronal cell deaths. Food and Drug Administration (FDA) approved drugs donepezil, rivastigmine, tacrine and galantamine are AChE inhibitors and in the treatment of Alzheimer's disease (AD) these drugs are currently prescribed. However, these inhibitors have various adverse side effects. Therefore, there is a great need for the novel selective AChE inhibitors with fewer adverse side effects for the effective treatment. In this study, combined ligand-based and structure-based virtual screening approaches were used to identify new hit compounds from small molecules library of National Cancer Institute (NCI) …

Analysis Of Electrochemical Impedance Spectroscopy Response For Commercial Lithium-Ion Batteries: Modeling Of Equivalent Circuit Elements, Uğur Morali, Sali̇m Erol

Turkish Journal of Chemistry

Electrochemical impedance spectroscopy measurements were performed to capture the physically meaningful parameters of commercially available 18650 cylindrical and 2032 coin cells by using the equivalent circuit model. The impedance response of the batteries was systematically investigated and discussed. A detailed analysis was achieved providing a determination of influential factors on the equivalent circuit parameters. The results suggested that the cell type tested here influenced the equivalent circuit elements profoundly. Taguchi analysis indicated that state-of-charge had the highest effect on the cathodic constant-phase-element exponent. The results contribute to full electrochemical analysis that is required for battery characterization.

Preliminary Isolation And Characterization Of Root Extract Components Of Dalea Jamesii, Hyojin Ahn

Undergraduate Honors Theses

The plant genus Dalea (Fabaceae) has been found to be prolific in its production of phenolic secondary metabolites including flavonoids, isoflavonoids, chalcones, pterocarpans, stilbenes, and other biosynthetically related compounds. Biological testing has revealed wide-ranging activities for these metabolites in many prior reports. Dalea jamesii has not yet been investigated for its chemical content. This study will be conducted with the hypothesis that unique phenolic secondary metabolites will be produced in the roots of D. jamesii. It will be of interest to determine if the isolated metabolites exhibit biomedically related activities. It will also be of interest to investigate whether the …

Environmental Forensics Of Complexly Contaminated Sites: A Complimentary Fingerprinting Approach, Michael A. Kruge, Azucena Lara-Gonzalo, José Luis Gallego

Department of Earth and Environmental Studies Faculty Scholarship and Creative Works

The environmental forensics approach is most often applied in petroleum and fuel spill incidents, for which sophisticated chemical fingerprinting procedures have evolved. In cases in which pollutant discharges occur in settings with prior contamination, more care must be taken in source discrimination, requiring further advances in methodology. Additional obstacles can arise if the spill is an atypical industrial discharge. This would necessitate painstaking characterization of unfamiliar substances lying outside of existing regulatory regimes and thus overlooked by mandated analytical protocols (i.e., contaminants of emerging concern). Towards these ends, this paper presents a systematic, multi-faceted GC-MS approach using the saturated, aromatic, …

Characterization Of Coal Particles In The Soil Of A Former Rail Yard And Urban Brownfield: Liberty State Park, Jersey City (Nj), Usa, Diane F. Hagmann, Michael A. Kruge, Nina M. Goodey, Jennifer Adams Krumins

Department of Earth and Environmental Studies Faculty Scholarship and Creative Works

From the 1850's until the 1960's, the Central Railroad of New Jersey was among several major railways shipping anthracite and bituminous coal to the New York City area, transferring coal from railcar to barge at its extensive rail yard and port facility in Jersey City. The 490 ha Liberty State Park was developed on the site after the rail yard closed, but a ca. 100 ha brownfield zone within the park remains off limits to visitors pending future remediation. As part of an environmental forensic and industrial archeological investigation of this zone, the present study characterizes anthracite and bituminous coal …

New Innovation In The Flipped Chemistry Classroom

The Graduate Review

No abstract provided.

The Effects Of Coordination Environment On The Spectroscopic And Electrochemical Properties Of Divalent Lanthanides, Tyler C. Jenks

Wayne State University Dissertations

The research projects in this dissertation pertain to the properties of molecular divalent lanthanide complexes with a focus on luminescence properties in solution. Most available research in lanthanide chemistry focuses on either the trivalent oxidation state or the divalent oxidation state in solid inorganic host matrices. The results described herein contribute to the body of knowledge regarding the effects of coordination environment on the spectroscopic and electrochemical properties of divalent lanthanides in solvated molecular complexes.

The divalent-europium-containing complex Eu(II)23 was evaluated as a visible-light-excited photoredox precatalyst. Stoichiometric and catalytic carbon–carbon bond forming reactions of Eu(II)23 with benzyl chloride in the …

Parahydrogen Hyperpolarized Multi-Nuclear Contrast Agents For Potential Mri Applications, Nuwandi Maduranga Ariyasingha Uragoda Wiyannalage

Wayne State University Dissertations

ABSTRACT

PARAHYDROGEN HYPERPOLARIZED MULTI-NUCLEAR CONTRAST AGENTS FOR POTENTIAL MRI APPLICATIONS

by

NUWANDI M. ARIYASINGHA

December 2020

Advisor: Dr. Eduard Chekmenev

Major: Chemistry (Physical)

Degree: Doctor of Philosophy

There have been numerous studies to develop fast, cost effective hyperpolaried (HP) contrast agents with higher polarization values that can be potentially employed for magnetic resonance clinical imaging. Some of the currently used contrast agents are based on 129Xe hyperpolarized nucleus. However, one of the problems associated with this approach, is the high cost of the produced hyperpolarized contrast agents. In addition, the other important practical problem is that the currently used clinical …

Synthesis And Reactivity Of A New Platinum(Ii) Complex, Maria Lew

Scripps Senior Theses

Alkanes are some of the most abundant organic molecules, yet currently there are no efficient ways of directly converting them to more functional molecules. One viable method of direct functionalization is C–H bond activation by transition metal catalysts. The focus of this research has been the synthesis of a new Pt(II) pincer complex to be used in mechanistic investigations of C–H activation, as well as the beginnings of those investigations. The complex [NN^ON]PtMe was successfully synthesized. Reactions with various acids indicated that [NN^ON]PtMe is capable of reductively eliminating methane after addition of two equivalents of acid. …

Development Of Novel Analytical Methods For Detection And Determination Of Tamoxifen In Oral Fluid And Discrimination Between Regioisomeric Aromatase Inhibitors For Doping Control Purposes, Brooke A. Sutton

Online Theses and Dissertations

The use of SERMs (Selective Estrogen Receptor Modulators) – most notably the drug Tamoxifen – has significantly increased among athletes over the past decade to enhance athletic performance and/or negate certain side effects of using anabolic steroids. This “doping” is always banned by WADA (World Anti-Doping Agency) for all athletes, but SERMs can naturally increase testosterone production so they are a tempting alternative to using steroids or androgenic supplements that can cause significant health problems (e.g. acne, breast development, frequent urge to urinate, low libido, etc.). Similarly, the use of AIs (Aromatase Inhibitors) has also increased among athletes for identical …

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 …

Effects Of Nutrient Overload And Environmental Conditions On Algal Bloom Formation: A Case Study Of Water Sources In Eastern Kentucky, Lauren Sutton

Online Theses and Dissertations

Eastern Kentucky is home to many private ponds used for agricultural and recreational purposes. Each year, the owners of these ponds observe harmful algal blooms (HABs) that release toxins into the water, potentially limiting the use of these ponds. A pilot study in summer 2018 observed a harmful algal bloom (HAB) occurring in one pond in Madison Country that roughly correlated with a rise in water sulfate levels with no detectable levels of nitrate or phosphate present. A follow-up study of this pond and others in the area was conducted during Summer 2019. The purpose of this project was three-fold: …

Climate Change Instruction In Higher Education: Pre-Service Teachers’ Engagement In An Interdisciplinary Pop-Up Learning Community, Mary Charlotte Bautistia

Master's Theses and Doctoral Dissertations

An interdisciplinary pop-up learning community (PLC) allowed students from various disciplines with different levels of content knowledge to discuss their perspectives and beliefs on climate change. The impact of this event on students was gauged by a survey from the Yale Project on Climate Change Communication. Furthermore, this project focuses on pre-service teachers who participated in the PLC. In order to investigate how pre-service teachers understand climate change and how they may or may not integrate these issues into their own instruction, individual interviews were conducted prior to and after the PLC to determine if the event had an impact …

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, …