Chemistry Commons^™

Preface To The Special Issue On Lithium-Sulfur Batteries, Jia-Jia Chen, Ren-Jie Chen, Zhong Jin

Journal of Electrochemistry

No abstract provided.

Brown Carbon From Photo-Oxidation Of Glyoxal And So2 In Aqueous Aerosol, David O. De Haan, Lelia N. Hawkins, Praveen D. Wickremasinghe, Alyssa D. Andretta, Juliette R. Dignum, Audrey C. De Haan, Hannah G. Welsh, Elyse A. Pennington, Tianqu Cui, Jason D. Surratt, Mathieu Cazaunau, Edouard Pangui, Jean-François Doussin

Chemistry and Biochemistry: Faculty Scholarship

Aqueous-phase dark reactions during the co-oxidation of glyoxal and S(IV) were recently identified as a potential source of brown carbon (BrC). Here, we explore the effects of sunlight and oxidants on aqueous solutions of glyoxal and S(IV), and on aqueous aerosol exposed to glyoxal and SO₂. We find that BrC is able to form in sunlit, bulk-phase, sulfite-containing solutions, albeit more slowly than in the dark. In more atmospherically relevant chamber experiments where suspended aqueous aerosol particles are exposed to gas-phase glyoxal and SO₂, the formation of detectable amounts of BrC requires an OH radical source …

The Role Of Sars-Cov-2 Orf8 Protein Arks Motif On Novobiocin Binding, Si Chun Chiu, My T. Nguyen

Celebrating Scholarship and Creativity Day (2018-)

The discovery of the SARS-CoV-2 virus during the COVID-19 pandemic required scientists to develop medical solutions to reduce infectivity, severity of symptoms, and death. Although vaccines and drugs provided urgent assistance, the need to continue developing better drugs is necessary long term, and understanding the structure of the virus and finding potential inhibitors would prove vital to discovering solutions to this worldwide health problem. This experimental project focuses on targeting the unique accessory protein, Open Reading Frame 8 (ORF8) in SARS-CoV-2 through studying its interactions with a repurposable drug, novobiocin. Importantly, ORF8 specializes in helping evade immune system checks by …

Protein Engineering Of A Fluorescent Watermelon Malate Dehydrogenase, William Yu

Celebrating Scholarship and Creativity Day (2018-)

Malate dehydrogenase (MDH) is an enzyme that is prevalent in many metabolic processes, such as the Krebs cycle and the citric acid cycle4. It reversibly forms oxaloacetate and NADH from (S)-malate and NAD+,1. Tryptophan fluorescence would be ideal to monitor conformational changes of MDH, but watermelon glycosomal MDH does not contain any tryptophan amino acids4. The research question being tested here is whether or not it is possible to mutate MDH to contain a tryptophan while still retaining native-like specific activity. This research question has not been addressed as a literature search has shown no research has been done to …

Synthesis And Evaluation Of 1-Substituted Imidazo[4,5-C] Quinoline Tlr7 Agonists With Improved Potency, Emma Grace Deyoung

Undergraduate Honors Theses

TLR7 agonists are small molecules that are useful within cancer immunotherapy due to their ability to stimulate the TLR7 pathway resulting in NFκB activation, and cytokine release.1 Due to the risk of toxicity when delivered systemically, our team has employed a particular type of drug-delivery technology, Antibody Drug Conjugates (ADCs) to deliver these payloads directly to tumor tissue. The initial focus of this work was on E104 (8a), an imidazoquinoline TLR7 agonist, which was synthesized by the Tumey lab.1 However, the agonist was not sufficiently potent for many of the proposed applications of this technology, prompting a need to develop …

Chemically Responsive Hydrogels, Properties, Pharmaceuticals, And Agricultural Applications: A Review, Mohammad Alrbaihat, Qusay Abu-Afifeh, Firas Al-Zeidaneen

Al-Bahir Journal for Engineering and Pure Sciences

A review of the literature on chemically responsive hydrogels about the selection of selectivity based on classification, properties, and application is presented in this article. Chemically responsive hydrogels are a type of hydrogel that undergo changes in their properties in response to specific stimuli. These hydrogels have attracted significant attention due to their potential applications in various fields, including pharmaceuticals and agriculture. Chemically crosslinked hydrogels are synthesized by covalent crosslinking of end-functionalized macromeres. Currently, a great deal of research is being conducted on hydrogel networks, also known as smart networks or hungry networks. This is owing to their potential use …

195 - Targeting Telomeric And C-Myc G4 Dna As An Anticancer Approach, Alexander Michaels, Sameela Haidari, Courtney Fetzer

GREAT Day Posters

G-quadruplex (G4) DNA are non-canonical higher order DNA structures formed from guanine rich sequences, made up of stacked G-tetrads stabilized by non-Watson-Crick (Hoogsteen) base pairing and K⁺ ions. Early interests in G4 DNA were spurred on by the revelation that G4 was formed in telomeric DNA sequences at the end of our chromosomes. This was particularly promising given that G4 structures formed in telomeric DNA were also found to inhibit an enzyme known as telomerase, which is overexpressed (>90%) in cancer cells. Cancer cells require telomerase activity for survival and "immortality", therefore stabilization of telomeric G4 can inhibit …

219 - Developing A Portable System Of Environmental Dna (Edna) Surveillance To Monitor Fish Population Dynamics And Detect Invasive Species In Conesus Lake And The Philippine Seas, Karina Mirza, Micah Ford, Morgan Comstock

GREAT Day Posters

Climate change is an increasing threat to many ecosystems worldwide. Due to global warming, many species are under threat of extinction while others are forced into unusual patterns of migration. In the Philippines, the fish Round Scad is a cheap source of protein in the diet of common citizens. Alarmingly, it is rapidly declining in both population and body size. In this project, we aim to develop a cheap, rapid, and sensitive method of monitoring the population dynamics of this fish in the wild. Recently, a new method called environmental DNA (eDNA) metabarcoding has been developed as a cost-effective way …

Probing The Effect Of Nitrogen And Boron Doping On Structures, Properties, And Stability Of C20 Clusters, Ramsay Revennaugh, Martina Kaledin

Symposium of Student Scholars

Fullerenes are carbon molecules arranged in a closed hollow shell to form spherical-like structures. These clusters exist in various sizes, C_n, with the smallest being C₂₀. C₂₀, often when doped with other elements, has shown promise in creating new materials as a catalyst and as energy storage material. Here, we look at the existence of C₂₀ doped with nitrogen or boron atoms using density functional theory (DFT). C₂₀ is doped with one to three boron or nitrogen atoms, respectively, including the five different C₁₈N₂ / C₁₈B_{2 …}

Ab Initio Calculations Of Vibrational Spectra Of Model Peptides, Katheryn Foust, Martina Kaledin

Symposium of Student Scholars

The function of biological molecules is closely related to their spatial structure and conformational dynamics. Therefore, understanding the structure and functions of small peptides contributes to gaining insight into the behavior of more complex systems. The peptide bond (-CO-NH-) is among the very important binding patterns in biochemistry. It links amino acids together, specifies rigidity to the protein backbone, and includes the two essential docking sites for hydrogen-bond-mediated protein folding and protein aggregation, namely, the C=O acceptor and the N-H donor parts. Therefore, the C=O (amide-I) and N-H (amide-A) vibrations provide sensitive and widely used probes into the structure of …

Toward The Design, Synthesis, And Characterization Of Abiotic Coiled-Coil Peptides Via Solid-Phase Copper-Catalyzed Azide-Alkyne Cycloaddition (Sp-Cuaac) Click Reaction For The Preparation Of Controlled Self-Assembly Molecular Building Block, Liaquat Ali

Chemistry Theses

The production of cutting-edge materials, the development of novel medications, drug delivery systems, technological advancements, and biosynthesizing all depend on molecular building blocks. Proteins are required for the creation of intricate, well-organized structures, and coiled-coil protein domains are vital subunits for the oligomerization of protein complexes, gene expression, and the structural components of biological materials. The numerous interactions between a wide variety of amino acids make it difficult to assemble protein complexes with a particular shape. In the current study, we successfully designed and synthesized four different 32-residue peptides, each of which had two modified amino azide residues. These peptides …

Methods For Increasing The Electron Richness Of Iron Tricarbonyl Diimine Complexes, Francesca Lombardi, Joseph Maher, Sean Peloquin

Chemistry & Biochemistry Student Scholarship

Francesca Lombardi ’24, Major: Chemistry

Joseph Maher ’25, Major: Chemistry

Sean Peloquin ’26, Major: Biochemistry

Faculty Mentor: Dr. Maria Carroll, Chemistry and Biochemistry

The goal of our research is to synthesize new iron complexes that can reduce carbon dioxide. Increasing the electron richness of iron tricarbonyl diimine complexes, which have been synthesized previously in the Carroll research group, will increase the likelihood of a reaction with carbon dioxide occurring. We have taken two approaches to changing the electron density in the complexes. First, we reacted the complex Fe((CF3)2ArDABMe)(CO)¬3 with the reducing agent potassium on graphite, in order to reduce either …

Surface Characterization Of Mixed-Mode Adsorbents Using Bet C-Constant Energy Scale, Dinah C. Lee

Seton Hall University Dissertations and Theses (ETDs)

Mixed-mode chromatography is a chromatographic method in which solutes interact with stationary phase through more than one interaction mode or mechanism. It is because of these multiple complex interactions, which makes it difficult to predict chromatographic behavior of analytes on Mixed-mode columns. In order to fully understand the retention mechanisms on Mixed-mode columns, the packing material properties must be well characterized since each characteristic may contribute to the overall chromatographic performance of the column. Many non-chromatographic and chromatographic techniques are available to characterize and compare Mixed-mode columns in terms of their interaction abilities, retentivity, surface chemistry, chemical properties and geometry. …

Actualistic Testing Of The Influence Of Groundwater Chemistry On Degradation Of Collagen I In Bone, Paul V. Ullmann, Kristyn K. Voegele, Kenneth Lacovara

School of Earth & Environment Faculty Scholarship

Recent experiments have heightened our understanding of reactions which can stabilize biomolecules during early diagenesis, yet little remains known about how groundwater chemistry can aid or hinder molecular preservation within a bone through geologic time. To elucidate this issue, we conducted actualistic experiments of bone decay employing varied fluid compositions to simulate a suite of groundwaters. Modern domestic chicken (Gallus gallus) femora were placed in a matrix of compositionally- and texturally-mature, fluvially-deposited sand. To simulate groundwater flow, deionized water or solutions enriched in calcium carbonate, phosphate, or iron were percolated through separate trials for a period of 90 days. After …

School Of Stem Poster Session, Keith Schimmel

Scholar Week 2016 - present

Location: Reed 2^nd floor Tech Center and lobby

This poster session will include displays of work from the School of STEM - Engineering Senior Design and Freshman Design Projects along with Undergraduate Research.

Senior Design Projects

(1) Holland - Shear-Die [Nathan Marks, Nolan Paape, Seth Beyer]

(2) Aginno - Solar-Powered Fish Pond Aeration System [Hoai Do, Bella Lopez, Kendyl Clark, Megan Schroeder]

(3) Peddinghaus - Tube Conveyor [Carson Caldwell, Alisha Wright, Michael Rollberg, Rebecca Witvoet]

(4) American Institute of Chemical Engineers (AIChE) Student Design Problem [Marissa Anderson, Brady Chambers, Cam Steele]

(5) Kankakee Elks Country Club and Golf …

A Highly Charged Topic: Intrinsically Disordered Proteins And Protein Pka Values, Carter J. Wilson

Electronic Thesis and Dissertation Repository

Intrinsically disordered proteins (IDPs) are known not only for their roles in disease but also for their conformational flexibility, which makes them elusive for experimentation. We consider the role played by theory and simulation in resolving important questions pertaining to IDP structure and dynamics, as well as the nature of the charged residues (e.g., glutamate, lysine, etc.) that enrich them. Specifically, we investigated how the deep learning trained AlphaFold2 (AF2) predictor estimates disorder content, revealing both strong performance in relation to conventional approaches and an important relationship between the AF2 confidence metric and IDP dynamics. We also assessed how modern …

Characterization Of Shinella 6-Hydroxy-(L)-Nicotine Oxidase (6hlno-Se), Kaitrin Funckes

Honors Theses

6-hydroxy-(L)-nicotine oxidase, isolated from the organism Shinella sp. HZN7 (6HLNO-SE), is an enzyme that during the catabolism of nicotine catalyzes the oxidation of (S)-6-hydroxynicotine to 6-hydroxypseudeooxynicotine. This enzyme is a member of the monoamine oxidase (MAO) structural family of flavoproteins, which contain a highly conserved FAD-binding domain. Within the binding domain is a conserved lysine residue that can be traced throughout evolutionary history in this family. 6HLNO isolated from Arthrobacter nicotinovorans serves as a model enzyme for the one isolated from Shinella as both catalyze the same reaction in this biochemical pathway and much has been studied about the Arthrobacter …

Synthesis And Characterization Of Some Disubstituted Cyclopentadienyl Rhenium Complexes As Potential Candidates In Semiconductive Materials, Chloe Vernon

Liberty University Research Week

Undergraduate

Three Minute Thesis

Thp-1 Monocytes As A Model For The Characterization Of Potential Agents For Hypersensitization Observed In Ags?, Colin Baker

Liberty University Research Week

Undergraduate

Three Minute Thesis

Incorporation Of Thiophenes And Benzothiophenes Into Novel Pi-Extended Dibenzophosphole Systems, Joshua Kim, Conner Schell

Campus Research Day

Dibenzophospholes are molecules with extended pi conjugation. This project aims to incorporate thiophenes and benzothiophenes into dibenzophosphole systems by using 2-bromothiophene, 2-bromobenzothiophene, and 3-bromobenzothiophene as starting materials. An ethyne intermediate is created via the Sonagashira reaction, which is further reacted to form the novel dibenzophosphole system. The ultimate goal is to fuse the newly incorporated functional groups, creating an even greater degree of conjugation.

Computational Study Of The Rotational Barrier In Indole Derivatives, Javaughn Martinez

Honors Theses

The purpose of this computational study is to understand the rotational barrier in indole derivatives, leading to stereoisomers, specifically atropisomers, which will impact the research direction focused on the development of a porphyrin hosts in Professor Starnes’s group. The Starnes research group is working to synthesize a porphyrin host that can function as a sensor or to remove harmful and deleterious anions such as phosphate and nitrates (Busschaert, et al, 2015). We will utilize the data provided to understand the required energy to restrict a rotation around the indole-benzene bond. To do so, the indole derivatives will be studied using …

Computational Design And Molecular Modeling Of Morphine Derivatives For Preferential Binding In Inflamed Tissue, Makena Augenstein, Nayiri Alexander, Matthew Gartner

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

The opioid epidemic has impacted over 10 million Americans in 2019. Opioids, like morphine, bind non-selectively in both peripheral tissue, leading to effective pain relief, and central tissue, resulting in dangerous side effects and addiction. The inflamed conditions of injured tissues have a lower pH (pH = 6–6.5) environment than healthy tissue (pH = 7.4). We aim to design a morphine derivative that binds selectively within inflamed tissue using molecular extension and dissection techniques. Morphine binds to the μ-opioid receptor (MOR) when the biochemically active amine group is protonated. Fluorination of a β-carbon from the tertiary amine group led to …

Bacterial-Mediated Photocatalytic Organic Oxidation, Peter J. Pellegrinelli

Theses and Dissertations

Bacteria, though well-known and widespread in scientific application, have plenty more opportunity to grow in the field of organic synthesis. The primary objective of this project was to apply the use of bioluminescent bacteria in an organic photoredox reaction intending to use the bacteria as a renewable source of light. This sustainable method, as opposed to high wattage bulbs, paves a green pathway for organic photocatalytic reactions. Using bioluminescent E. coli, the focus was on performing organic oxidation reactions with a recyclable photocatalyst. When using bacteria in conjunction with chemicals like nitromethane, it was an obstacle to keep the E. …

Development Of New Synthetic Routes For Ebselen In Pursuit Of The First Synthesis Of Ebtellur, Elijah Kellner, Creed Poppler

Research & Creative Achievement Day

Ebselen, N-phenyl-1,2-benzoisoselenazol-3(2H)-one, an established anti-oxidant and cytoprotective agent, has been assessed for an array of pharmaceutical applications in treating a multitude of disorders and maladies. It has further been identified as an anti-microbial and anti-viral agent against multiple infectious agents and has even been FDA-approved for a variety of these applications. While ebselen has captured pharmaceutical interest, its tellurium analogue, ebtellur, has yet to be successfully obtained, and in only one case was an attempt to obtain ebtellur reported. We have developed multiple new synthetic routes specifically targeting the first synthesis of ebtellur and discuss the viability of each pathway …

Hplc And Cms Analysis Of Clomipramine Metabolism: A Multi-Drug Study, Tess E. Buescher, Tu Khiem Ho, Kyler Ford

Research & Creative Achievement Day

Daily use of multiple medications is commonplace for many Americans. While pharmacists monitor prescriptions for drug interactions, consumers rarely check the possible side effects when using an over-the-counter product. In this fictional case study, Sam is prescribed clomipramine and ciprofloxacin, while also taking Tylenol PM. All three medications are orally administered, and drug metabolism is catalyzed in the liver by cytochrome P450 enzymes (CYP450). CYP isoenzymes CYP1A2, CYP3A4 and CYP2C19 are responsible for clomipramine metabolism and formation of major bioactive metabolite desmethylclomipramine, while CYP2D6 hydroxylates clomipramine and metabolite into hydroxyclomipramine and hydroxydesmethylclomipramine, respectively. Multi-drug use can inhibit or induce metabolic …

Exploration Of Known Disease-Causing Vrk1 Mutants, Madelyn M. Degenhardt

Research & Creative Achievement Day

VRK1 is a vaccinia-related serine/threonine kinase that contributes to the regulation of cell proliferation. Point mutations within the VRK1 sequence are associated with a variety of complex neurodegenerative disorders which previous research suggests are due to changes in kinase activity and/or structure and stability. Point mutations seen with VRK1 may affect how a tail on the C-terminus of the protein interacts with the protein's active site, possibly altering the ability of the protein to bind to specific substrates.  This study looked specifically at the point mutation D263G and its effect on protein stability and ability to bind substrates at its …

Development Of Biomolecule Nanoparticle Conjugate For Targeted Delivery Of Therapeutics, Peidong Wu

Doctoral Dissertations

Delivery of therapeutics specifically to the disease site is the final goal for the field of drug discovery. Considerable efforts in understanding disease biology have contributed to identifying novel therapeutics such as small molecules, proteolysis targeting chimeras (PROTACs), peptides, proteins, and nucleic acids. However, improving their efficacy as well as minimizing their off-target toxicity remains challenging. Developing vectors that could not only efficiently encapsulate these therapeutics but also direct these therapeutics to the target site is a potential solution to address these challenges. In this dissertation, a block-copolymer-based nanoparticle platform has been developed optimized, and decorated with various kinds of …

Synthesis Of Activated Carbon From Spent Coffee Beans, Alyssa Priebe, Jennifer Zemke

Research & Creative Achievement Day

Activated carbon is a material that is used in various industries. An important way that activated carbon is used, is to remove impurities and contaminants from water. Activated carbon is used to filter out odors and pollutants such as organic compounds by adsorbing and trapping these molecules within the structure of the carbon. The goal of this research is to synthesize activated carbon from spent coffee grounds. To this end, we are developing and tuning a protocol for the synthesis of activated carbon via a Microwave-Assisted Reaction System (MARS-TA). Variables investigated in this study are the amount of phosphoric acid …

Utilizing Macroinvertebrate Communities And Chloride Levels To Evaluate Water Quality In Three Streams Near Winona, Minnesota, Amelia Engman, Izabella Setla

Research & Creative Achievement Day

Certain water quality and chloride levels are ideal for specific macroinvertebrate species. This study evaluates the water quality of three streams in and around Winona, Minnesota, using the macroinvertebrate communities present and chloride levels as indicators. Three upstream samples were taken and thoroughly examined at three different locations: Garvin Brook, Gilmore Creek, and Pleasant Valley Creek. During the snowmelt season, four sets of upstream and one set of downstream water samples were taken from each. The samples were analyzed using a Vernier chloride ion-selective electrode. The Izaak Walton League of America's Save Our Streams invertebrate classification system was used to …

Temperature Dependent Esterification Of Free Fatty Acids In The Presence Of Triglycerides, Megan Mccoy, Margaret Tyler

Liberty University Research Week

Undergraduate

Basic