Chemistry Commons^™

Coating Compositions And Methods For Using The Same, Fateme Razaei, Thomas P. Schuman, Glenn C. Morrison

Patents

Coating compositions and methods for using the same are disclosed. The coating compositions can include an aminosilica adsorbent. The coating compositions can adsorb CO2 .

Identification Of Fentanyl And Fentanyl Analogs Found In Human Urine Using Gas Chromatography-Mass Spectrometry, Adam M. Fisher

Electronic Theses & Dissertations (2024 - present)

Identification of fentanyl and its analogs in unknown samples is a frequent practice completed in forensic crime labs, as the fentanyl epidemic continues. With the continued increase in illicit drug use, crime labs are not able to keep up with the flooding of new fentanyl analogs being developed, resulting in new analogs slipping past the crime labs’ authority. This research is to start to develop a database of commonly found fentanyl analogs in New York State. Gas Chromatography-Mass Spectrometry (GC-MS) is a widely used method for the detection and identification of illicit drugs in forensic crime labs. A database that …

Investigation Of The Binding Mechanism Between The Supplemental And Tail Regions Of Mirna And Mrna Within Argonaute 2, Christina Ms Karadiakos

Electronic Theses & Dissertations (2024 - present)

MicroRNAs (miRNA) are a class of small non-coding RNAs that play a key role in gene silencing. miRNAs form an RNA-induced silencing complex (RISC) with the argonaute 2 (AGO2) protein in order to control gene expression through silencing messenger RNAs (mRNA). The ability for a miRNA-mRNA complex to fit into AGO2 and form the RISC is based on the location and characteristics of a central bulge, but the mechanism and interactions that lead to a functional RISC remain unknown. Using available experimental data, we modeled the miR-34 and NOTCH1 duplex inside of AGO2 with only the seed region base paired. …

Enhancing Crispr-Cas12a Activity Through Guide Rna Methylation, Hilal Dagci

Electronic Theses & Dissertations (2024 - present)

CRISPR-Cas12a is a rapidly evolving technology for improved gene editing in cells, as well as in vivo. The system, consisting of Cas12a nuclease and approximately 40-nt long guide RNA (gRNA), can efficiently recognize and cut genomic double-stranded DNA (dsDNA). Chemical modifications to the gRNA can potentially improve its dsDNA binding and enhance Cas12a-mediated nuclease activity. In this work, 5-methyl cytidine (m5C) and N6-methyl adenosine (m6A) were explored to improve the binding between gRNA and target DNA. Phosphoramidites of m5C and m6A were used to construct a library of gRNAs using solid phase RNA synthesis. Tm studies were carried out …

Light-Driven Chemistry: Photoswitch In Rna Activity Control And Development Of Photoredox Catalysis, Juncheng Li

Electronic Theses & Dissertations (2024 - present)

This dissertation is structured into two principal segments. The initial segment elucidates a series of synthetic works involving artificial molecules, specifically featuring the photosensitive azobenzene. These molecules facilitate remote control over the structure and functionality of biomolecules, with subsequent applications in regulating biological processes. The latter segment concentrates on the design and enhancement of organic photocatalysts, utilizing traditional acridine ions as a foundation. This section details the development of diverse organic photocatalyst-promoted processes, including photo Lewis acid catalysis, photo Brønsted acid catalysis, and photoredox reactions.

Synthesis Of Bio-Orthogonal Hydrogels For 3d Cell Culture Via Penicillamine Β-Thiolactone-Mediated Native Chemical Ligation, Kaelin E. Marshall, Matthew E. Currier, Nathan J. Oldenhuis

Honors Theses and Capstones

Many hydrogel systems designed to mimic the extracellular matrix (ECM) employ thiol-based chemistries with undesirable functional groups, including vinyl sulfones and methacrylates. In downstream applications, any unreacted functional groups are problematic and render hydrogels non-viable for human use. Here, we introduce modifications to the Native Chemical Ligation (NCL) mechanism, exploring the elimination of cytotoxic byproducts and increased reaction rate by using a β-thiolactone. The inclusion of the β-thiolactone results in retention of the thiol within the gel, as well as enhanced kinetics due to the thermodynamic favorability of the ring opening and amide formation. We achieved this by functionalizing 4-arm …

Lead-Free Alternatives And Toxicity Mitigation Strategies For Sustainable Perovskite Solar Cells: A Critical Review, Md Helal Miah, Mayeen Uddin Khandaker, Md Jakir Hossen, None Noor-E-Ashrafi, Ismat Jahan, Md Shahinuzzaman, Mohammad Nur-E-Alam, Mohamed Y. Hanfi, Md Habib Ullah, Mohammad Aminul Islam

Research outputs 2022 to 2026

The growing global energy demand has prompted an increase in research into renewable energy conversion technologies. Although lead-based perovskite solar cells (PSCs) offer high efficiency as well as low manufacturing costs, the toxicity of the material is still a serious hurdle to their commercialization and widespread adoption. Amid ongoing efforts to develop lead-free perovskites, over the last few years, growing attention on mitigating the toxicity of lead by inhibiting the leakage of lead from PSCs has been observed. This review discusses the potential replacement of lead from PSCs and explores various approaches to mitigate lead leakage from PSCs. In addition, …

Synthesis Of Fe3o4@Mil-101-Oh/Chitosan For Adsorption And Release Of Doxorubicin, Iman Najafipour, Nafiseh Emami, Pegah Sadeh, Adonis Amoli, Sareh Mosleh-Shirazi, Ali Mohammad Amani, Hesam Kamyab, Shreeshivadasan Chelliapan, Seyed Reza Kasaee, Ehsan Vafa

Michigan Tech Publications

This study reports the synthesis and characterization of a magnetic composite metal-organic framework, The Fe3O4@MIL-101-OH/Chitosan nanocomposite was used for the first time to adsorb and release the drug doxorubicin (DOX). The nanocomposite was characterized using scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), Brunauer-Emmett-Teller (BET), X-ray diffraction (XRD), and vibrating sample magnetometry (VSM). The characterization results showed that the synthesized nanocomposite has a crystalline structure and good magnetic properties. Also, this nanocomposite has a high specific surface area (610.36 m2/g). In this article, the effect of pH, contact time, and drug concentration on DOX adsorption were investigated, and the …

Extreme Value Theory Analysis Of High Emitter Trends Across Four Us Cities From 1995 To 2021, M. Matti Maricq, Gary A. Bishop

Fuel Efficiency Automobile Test Publications

Extreme value theory provides a direct means to characterize the distribution of high emitters within a vehicle fleet and calculate statistical confidence intervals for comparisons. Defining a “high emitter” as the maximum emitter in a random sample of N vehicles implies in the limit of large N that high emitters follow an extreme value distribution, comprised of three distinct domains. The analysis of over twenty years of roadside remote sensing emissions measurements in Chicago, Denver, Los Angeles and Tulsa reveals clear differences between gasoline vehicle high emitter distributions across pollutants (hydrocarbons (HC), carbon monoxide (CO) and nitric oxide (NO)), but …

Functionalized 2d Hexaazatriphenylene As Hydrogen Storage Platform: A Dft-Guided Design Approach, Islam Gomaa

Nanotechnology Research Centre

No abstract provided.

Nontoxic High Temperature Resistant Hydrogels, Thomas P. Schuman, Baujun Bai, Buddhabhushan Pundlik Salunkhe

Patents

Compositions of swellable non-toxic hydro gels and their use in conformance control are described herein. More specifically, the present invention generally relates to the hydro gels compositions that can be used to treat the oil reservoirs having high temperature and high salinity conditions. The compositions generally comprise a plurality of swellable particles having one or more crosslinkers interspersed within a polymer matrix. The compositions can also be used in biomedical, agricultural, fracking and similar applications wherein thermally-stable, nontoxic hydrogels are required.

Quantifying Inositol Phosphate Dephosphorylation To Understand The Role Of Recalcitrant Organic Phosphorus Forms On Harmful Algal Blooms In Freshwater Systems, Iffat Tasnim

College of Graduate Studies: Theses & Dissertations

Organophosphorus such as phytic acid, a surrogate species of inositol phosphate (IP), may serve as a source for orthophosphate (OP) in freshwater. In absence of OP, competent aquatic microorganisms upregulate the production of specialized enzymes to obtain growth-sustaining OP from organic phosphorus (org-P) forms. The contribution of recalcitrant org-P to the OP pool has been overlooked due to the lack of capable tools to measure OP production from org-P accurately. The objective of this study was to quantify OP production from phytic acid (a surrogate form of recalcitrant org-P) to assess the contribution of recalcitrant org-P forms to the total …

A New Paradigm For The Supramolecular Structure Of Laterally Offset Diarenes: Polymorphs Ii Of Para-Substituted Acetophenone Azines, Yp.Ph.(Me)C.N.N.C(Me).Ph.Yp (Y = Cl, Br, Ch3), Harmeet Bhoday, Kaidi Yang, Steven P. Kelley, Rainer Glaser

Chemistry Faculty Research & Creative Works

The crystal structures of polymorphs II of acetophenone azines Y_pPhRCNNCRPhY_p with R = CH₃ and Y = Cl (1M), Br (2M), and CH₃ (8M) are discussed. The azine molecules in polymorphs II are Ci-symmetric with trans-azine moieties and conrotatory phenyl twists. Polymorphs 1M-I and 2M-I contain C2-symmetric enantiomers with pronounced azine twists and disrotatory phenyl twists and allow for strong lateral double T-contacts. The three polymorphs II exemplify the new Paradigm IV for the supramolecular architectures of "laterally offset diarenes" and result in "shiplap/flat" idioteloamphiphile monolayers. Intralayer lateral attraction is provided by edge-to-face arene-arene contacts …

Multiscale Computational Chemistry Studies Of The Catalytic Mechanisms Of Non-Heme Fe(Ii)/2-Oxoglutarate-Dependent Oxygenases, Simahudeen Bathir Jaber Sathik Rifayee

Dissertations, Master's Theses and Master's Reports

Enzymes catalyze complex biological transformations. Non-heme Fe(II)/2-oxoglutarate (2OG)–dependent enzymes are highly versatile catalysts capable of selective C–H oxidation, enabling transformations such as hydroxylation, halogenation, desaturation, demethylation, ring rearrangements, epoxidation, and electrophilic aromatic substitution. These enzymes are involved in various biological processes, including fatty acid metabolism, hypoxic signaling, collagen maturation, and transcriptional regulation. Computational Modeling provides detailed knowledge of the enzymes including atomistic details of the important catalytic species, conformational and electronic effects, which are crucial to enzyme engineering and drug design efforts. This dissertation implements advanced multi-scale molecular modelling techniques including Molecular dynamics and Quantum Mechanic / Molecular Mechanics calculations …

New Psychoactive Substances Detected In Wastewater Samples Collected Along The Interstate Highway Rest Areas In Kentucky, Durga Prasad Kodati

Murray State Theses and Dissertations

The rapid emergence and proliferation of new psychoactive substances (NPS) pose significant challenges to public health and law enforcement. The potential for abuse and toxicity of these substances, which are intended to mimic the effects of controlled drugs, has been raising concerns as these compounds are designed to evade being regulated. There are traditional methods of tracking NPS, such as seizures and forensic toxicology, but they are delayed and seldom effective because these substances continue to evolve rapidly. Wastewater-based epidemiology (WBE) has emerged as a promising tool for real-time surveillance of drug consumption. The primary objective of this research was …

Synthesis Of Noval Hydroxy Chalcone And Study Of Fluorescent Properties, Margaret Hilliker

Williams Honors College, Honors Research Projects

Chalcones are a class of naturally occurring compounds found in plants, which have a general structure of Ar–CO–CH=CH–Ar’. They have shown significant potential as tunable organic fluorophores due to their extended π-conjugation and structural simplicity. In this study, a 2-hydroxy-substituted chalcone featuring a terminal dimethylamino group was synthesized via a pyrrolidine-catalyzed aldol condensation and characterized for its photophysical properties. The electron-donating and -accepting ends of the molecule establish an intramolecular charge transfer (ICT) pathway, while the hydroxyl group enables excited state intramolecular proton transfer (ESIPT), leading to complex emission behavior. Room temperature fluorescence analysis revealed broad, featureless emission, while low-temperature …

The Development Of A One Pot, Two Reaction Synthetic Preparation Of 1,2,4-Oxadiazole, And Synthesis Of Ataluren, A Novel Drug In The Fight Against Duchenne Muscular Dystrophy. Efforts Towards The Synthesis Of A Potential Protease Inhibitor Against The Main Protease (3clpro) Of Covid-19, Austin J. Carter

Theses and Dissertations

1,2,4-Oxadiazoles are five-membered heterocyclic structures first synthesized by Tiemann and Krüger in 1884. Recent discoveries suggest an array of useful biological properties.In preparation of 1,2,4-oxadiazoles, the most prevalent precursors are amidoximes, which can be created via the reaction of nitriles with hydroxylamine hydrochloride and a base. The amidoximes are reacted with an activated carboxylic acid to yield an acylated intermediate. This intermediate can be exposed to a base to cyclize into the 1,2,4-oxadiazole. This thesis describes the efforts in combining these three steps into a unified one-pot synthesis.

Currently, there are a significant number of commercially available FDA approved and …

Asymmetric Synthesis Of The Hiv Protease Inhibitor Tmc-126 And An Anti-Malarial Agent Via A Titanium Tetrachloride Mediated Asymmetric Glycolate Aldol Addition Reaction. Redefining The Curtius Rearrangement Reaction Via Dehomologation Of Carboxylic Acids Bearing Alpha-Leaving Groups, Kweku Amaning Affram

Theses and Dissertations

Acquired Immune Deficiency Syndrome (AIDS) and malaria are two devastating infectious diseases caused by HIV and Plasmodium parasites. AIDS is caused by HIV-1 and HIV-2, transmitted through sexual contact, blood transfusions, needle sharing, and perinatal routes. Malaria, caused by plasmodium parasites through mosquito bites. Today, millions of people around the world have been infected with HIV and malaria and much research has been done to treat it. However, despite advancements in therapeutic options, these diseases remain a significant global health threat, particularly in developing countries due to the emergence of drug-resistant strains for both HIV and malaria complicating eradication efforts. …

Site-Specific Modification Of Antibodies Utilizing Microbial Transglutaminase For Improved Immunoassay Performance, Emily Beitello

Theses and Dissertations

Immobilization strategies used for fixing antibodies to solid phase surfaces significantly contribute to the antigen capture capacity and influences the performance and sensitivity of immunoassays. Traditional methodologies result in the random orientation and/or the weak attachment of immobilized antibodies. Different formats of immunoassays scope in applicability to many fields of research and everyday use. Improving the efficiency of immobilizing antibodies in immunoassays is a beneficial endeavor to increase assay sensitivity. Here, we investigated the use of enzyme-mediated conjugation of antibodies to facilitate a highly oriented immobilization. Microbial transglutaminase (mTG) catalyzes the covalent bond formation between a plethora of primary amine …

Electrochemical Observation And Ph Dependence Of All Three Expected Redox Couples In An Extremophilic Bifurcating Electron Transfer Flavoprotein With Fused Subunits, Debarati Das, Wassim El Housseini, Monica Brachi, Shelley D. Minteer, Anne Frances Miller

Chemistry Faculty Research & Creative Works

Bifurcating enzymes employ energy from a favorable electron transfer to drive unfavorable transfer of a second electron, thereby generating a more reactive product. They are therefore highly desirable in catalytic systems, for example, to drive challenging reactions such as nitrogen fixation. While most bifurcating enzymes contain air-sensitive metal centers, bifurcating electron transfer flavoproteins (bETFs) employ flavins. However, they have not been successfully deployed on electrodes. Herein, we demonstrate immobilization and expected thermodynamic reactivity of a bETF from a hyperthermophilic archaeon, Sulfolobus acidocaldarius (SaETF). SaETF differs from previously biochemically characterized bETFs in being a single protein, representing a concatenation of the …

Scalable Fabrication Of High-Payload Dendrimer-Based Nanoparticles For Targeted Atherosclerosis Therapy, Huari Kou, Lin Qi, Da Huang, Jiandong Wu, Honglan Shi, Hu Yang

Chemistry Faculty Research & Creative Works

Nanoparticle-based therapeutics hold promise for the treatment of atherosclerosis, but challenges such as low drug-loading capacity and a lack of scalable, controllable production hinder their clinical translation. Flash nanoprecipitation, a continuous synthesis method, offers a potential solution for scalable and reproducible nanoparticle production. In this study, we employed a custom-designed multi-inlet vortex mixer to perform cross-linking reaction-enabled flash nanoprecipitation, facilitating controlled and scalable synthesis of cross-linked Poly amidoamine (PAMAM) dendrimer nanoparticles. Notably, this approach allows simultaneous nanoparticle cross-linking and drug loading in a single step. The mannose moiety enabled specific targeting of macrophages via mannose receptors, enhancing the localization of …

Enhanced Biofuel Cells Based On A Hybrid Enzymatic/Bimetallic Composite For Complete Lactate Catalytic Electrooxidation, Jefferson Honorio Franco, João Victor Bonaldo, Shelley D. Minteer, Adalgisa R. De Andrade

Chemistry Faculty Research & Creative Works

We describe complete lactate electrooxidation in an enzymatic biofuel cell that combines the catalytic action of the bimetallic composite Ru@Pt-CNT and the enzyme oxalate oxidase (OxOx). The Ru@Pt-CNT/OxOx hybrid electrode was 2.0-fold more catalytically active than the electrode containing the bimetallic composite only. During chronoamperometric experiments, the hybrid electrode achieved a 35% higher maximum current density (2.65 ± 0.15 mA cm^-2) than the Ru@Pt-CNT electrode. Electrochemical impedance spectroscopy showed that the hybrid electrode had lower charge transfer resistance than the Ru@Pt-CNT electrode, confirming that OxOx had a high affinity for lactate during the bioelectrocatalytic reaction on the electrode …

Microwave Assisted Syntheses And Characterizations Of Near-Infrared Ratiometric Probes For Mitochondrial Ph Detection And Monitoring, Ronald J. Schwandt

Dissertations, Master's Theses and Master's Reports

Within the field of biochemistry, there has been a significant development of ratiometric fluorescent probes designed for mitochondrial pH detection; however, many of these probes have emissions within the visible spectrum and require long synthesis times with low-yield reactions. However, in recent years, microwave-assisted syntheses of organic molecules have led to significant increases in reaction yields and quicker reaction times. In this work, two common reactions in probe synthesis, Heck coupling, and Knoevenagel condensations are investigated using microwave-assisted synthesis. It was found the low-concentration Heck coupling reactions using palladium (II) acetate led to extremely efficient Heck coupling. Also, a novel …

Towards Developing Glut2 Specific Probes For Biochemical And Biomedical Applications, Abdelrahman Ismail

Dissertations, Master's Theses and Master's Reports

Facilitated Glucose transporters (GLUTs) are membrane proteins responsible for the uptake of simple sugars and other structurally similar metabolites in all mammalian cells. One of the hallmarks of cancer is dysfunctional sugar metabolism, known as the Warburg effect, and one of the manifestations of that effect is abnormal GLUT expression. There are 14 known GLUT proteins with different expression patterns in different tissues, and tumors tend to express certain GLUTs that are not present in surrounding healthy tissue. Therefore, selective targeting of GLUTs presents a potentially powerful tool for diagnostics and treatment of cancer and other diseases. This has been …

Near-Infrared Fluorescent Cyanine Probes For Monitoring Nad(P)H Dynamics In Living Cells And Drosophila Larvae, May Waters

Dissertations, Master's Theses and Master's Reports

Nicotinamide adenine dinucleotide (NAD+/NADH) plays a critical role in cellular metabolism, with abnormally elevated NADH levels linked to disrupted metabolic processes and cancer. In this study, we developed near-infrared fluorescent probes to selectively measure NADH concentrations. We present five cyanine-based probes, which were optimized by modifying the connection bridges to fine tune electronics. Two NAD(P)H-biosensing probes consisting of 1,3,3-trimethyl-3H-indolium and 3-quinolinium acceptors, linked by thiophene, A, and 3,4-ethylenedioxythiophene, B, bridges are detailed. They exhibit near-infrared fluorescence at 742.1 nm and 727.2 nm for probes A and B, respectively, and generate absorbance signals at 690.6 nm and 685.9 nm. Probe A …

Development Of Near-Infrared Probe For The Detection Of Nadh And Nad(P)H In Live Cells And D. Melanogaster Larvae, Sophia J. Jaeger

Dissertations, Master's Theses and Master's Reports

A near-infrared fluorescent probe, A, was designed by substituting the carbonyl group of the coumarin dye’s lactone with a 4-cyano-1-methylpyridinium methylene group and then attaching an electron-withdrawing NADH-sensing methylquinolinium acceptor via a vinyl bond linkage to the coumarin dye at the 4-position. The probe exhibits primary absorption maxima at 603, 428, and 361 nm, and fluoresces weakly at 703 nm. The addition of NAD(P)H results in a significant blue shift in the fluorescence peak from 703 to 670 nm, accompanied an increase in fluorescence intensity. This spectral shift is attributed to the transformation of A−π–A−π–D configuration to D−π–A−π–D pyridinium platform …

Metal-Free Photoredox Catalysis For The S-Trifluoromethylation Of Thiols And Investigation Of Ph-Dependent Decontamination Of Dimethyl Chlorophosphate, A Nerve Agent Simulant, Via Hydrolysis With Azoles, Raheemat Rafiu

Doctoral Dissertations

"Organofluorine chemistry plays a critical role in synthetic chemistry due to the unique properties of fluorine. However, the S-trifluoromethylation of thiols remains underexplored, with existing methods often relying on toxic and expensive organometallic catalysts. Given the advantages of S-trifluoromethylated compounds, including enhanced pharmacological activity and improved metabolic stability, we developed a green and cost-effective method for the synthesis of S-CF3 compounds using diacetyl as the organic catalyst and Langloi's reagent as the trifluoromethylating reagent. This reaction, which proceeds under mild conditions using visible light photoredox catalysis, works across various substrate scopes, including aromatic, heteroaromatic, and aliphatic thiols.

Chemical Warfare Agents …

Design And Synthesis Of Organocatalyts For Efficient Decontamination Of Organophosphate-Based Nerve Agents And Pesticides, Emmanuel Kingsley Darkwah

Doctoral Dissertations

Exposure to organophosphate-based nerve agents and pesticides poses significant health and security threats to civilians, soldiers, and first responders. Despite extensive efforts to develop chemical detoxification agents for use in topical applications on exposed skin surfaces and for intravenous injections, there remains an unmet need for effective, non-hazardous decontaminating agents. The current state-of-the-art decontaminating agent, Dekon-139 (2,3-butanedione oxime, potassium salt), exhibits adverse effects when applied to the skin.

In this study, we designed and synthesized pharmaceutically relevant aminoguanidine-derived aldimines that are relatively non-toxic and substantially more effective at decontaminating nerve agents and pesticides compared to existing agents, and they act …

Evaluation Of Practical Methods To Determine If A Karst Creek Is Gaining Or Losing: Case Study Of Leith Creek, Elizabeth Jones

Graduate Theses/Dissertations

Karst landscapes are abundant in Missouri, with features such as caves, springs, and sinkholes that form through the dissolution of limestone. Leith Creek is a small stream in Polk County, Missouri fed by two springs and the shallow unconfined Springfield Plateau aquifer, a highly karstified aquifer which is made up of limestone and minor interbedded shale-mudstone units. To determine if Leith Creek is gaining or losing, stream flow, water chemistry and temperature sensors were monitored. Stream flow results required multiple visits to take measurements while temperature sensors required two visits, one to install the dataloggers and another to remove the …

Surface Modifications Of Titanium Alloys For Biomedical Applications, Justynne Fabian

Doctoral

Hip implant failure remains a critical concern in healthcare, primarily driven by poor bone integration and bacterial infection. These issues contribute to a rising number of revision surgeries, posing significant challenges that must be addressed, particularly in light of an ageing global population. Titanium surface anodisation emerges as a promising solution for biomedical applications, offering a cost-effective, controllable, and efficient process. The anodisation technique results in the formation of titanium dioxide nanotubes (TiO2 NTs) on the metal surface. These nanostructures offer several advantages, including enhanced mechanical properties, and potential for surface modification through the incorporation of antibacterial and osteoinductive properties. …