Physical Sciences and Mathematics Commons^™

Facile One-Step Solid-State Synthesis Of Ni-Rich Layered Oxide Cathodes For Lithium-Ion Batteries, Jing-Yue Wang, Rui Wang, Shi-Qi Wang, Li-Fan Wang, Chun Zhan

Journal of Electrochemistry

Nickel-rich layered oxide is one of the dominate cathode materials in the lithium ion batteries, due to its high specific energy density meeting the range requirement of the electric vehicles. Typically, the commercial Ni-rich layered oxides are synthesized from co-precipitated precursors, while precision control is required in the co-precipitation process to ensure the atomic level mixing of the cations such as Ni, Co and Mn, et.al. In this work, a one-step solid-state method was successfully applied to synthesize the Ni-rich layered oxide materials with ultra-high Ni content. By choosing the nickel hydroxides as the precursor with layered structure similar to …

A Novel Electrochemical Sensor Based On Au/Rgo/Feooh For One-Step Detection Of Nitrite, Da-Juan Luo, Bing-Qian Liu, Meng-Yan Qin, Rong Gao, Li-Xia Su, Yong-Huan Su

Journal of Electrochemistry

Nitrite, a widespread raw material, is harmful to human health for long-term consumption. At present, the detection methods of nitrite mainly include chemical analysis, fluorescence, ultraviolet spectrophotometry and chromatography. These methods have ideal sensitivity and selectivity, but also have some characteristics: cumbersome operation, expensive equipment and professional personnel. Therefore, the development of a simple and sensitive nitrite assay is of great significance. In this paper, the Au/rGO/FeOOH composite materials, which revealed good synergistic catalytic performance among the three elements in the composite, were prepared by simple hydrothermal method and reduction method for the first time with large specific surface area …

Quantitative Lithium Composite As 3d Lithium Foam Anode For Lithium Metal Battery, Hu-Dong Li, Wei-Shang Jia, Xin-Xiu Yan, Yao-Yue Yang

Journal of Electrochemistry

Lithium (Li) metal as an anode material for batteries has extremely high specific capacity and extremely low redox potential, which can significantly improve the energy density of the battery. However, the main problems faced by the use of Li metal anodes are Li dendrite growth, interfacial side reaction and volumetric change of electrode. Herein, a strategy to prepare the three-dimensional (3D) Li foam by combining 3D scaffold with quantitative Li was proposed to suppress Li dendrites growth and alleviate electrode volumetric change. The 3D Li foam facilitated the efficient utilization of Li metal by suppressing the Li dendrite growth, mitigating …

Design Of Novel Metalloenzymes And Investigation Of Protein-Metal Interactions, Alona Kulesha

Dissertations - ALL

Metalloproteins are the proteins that utilize metals or metal complexes as cofactors and exhibit a wide range of functions from oxygen transport and regulation of transcription to hydroxylation of alkanes and water splitting, even though they employ a limited set of metals and metal-binding ligands. The investigation of metalloprotein amino acid sequence, structure and function relationships can uncover the principles behind natural metalloprotein design and opens the possibility of their implication as scaffolds for the design of novel catalysts and biomaterials. Protein engineering is a set of techniques that allows to install new functionalities into existing proteins or to design …

Compositionally And Density Stratified Igneous Terrain In Jezero Crater, Mars, Roger C. Wiens, Arya Udry, Olivier Beyssac, Cathy Quantin-Nataf, Nicolas Mangold, Agnès Cousin, Lucia Mandon, Tanja Bosak, Olivier Forni, Scott M. Mclennan, Violaine Sautter, Adrian Cousin, Karim Benzerara, Jeffrey R. Johnson, Lisa Mayhew, Sylvestre Maurice, Ryan B. Maurice, Ryan B. Anderson, Samuel M. Clegg, Larry Crumpler, Stanley M. Angel

Faculty Publications

Before Perseverance, Jezero crater's floor was variably hypothesized to have a lacustrine, lava, volcanic airfall, or aeolian origin. SuperCam observations in the first 286 Mars days on Mars revealed a volcanic and intrusive terrain with compositional and density stratification.The dominant lithology along the traverse is basaltic, with plagioclase enrichment in stratigraphically higher locations. Stratigraphically lower, layered rocks are richer in normative pyroxene. The lowest observed unit has the highest inferred density and is olivine-rich with coarse (1.5 millimeters) euhedral, relatively unweathered grains, suggesting a cumulate origin. This is the first martian cumulate and shows similarities to martian meteorites, which also …

Upcycling Mask Waste To Carbon Capture Sorbents: A Combined Experimental And Computational Study, Mark Robertson, Alejandro Guillen Obando, Bianca Nunez, Haoyuan Chen, Zhe Qiang

Chemistry Faculty Publications and Presentations

Massive plastic pollution and grand scale emission of CO2 into the atmosphere represent two major and deeply connected societal challenges, which can have adverse impacts on climate, human health, and marine ecosystems. In particular, the COVID-19 pandemic led to substantially increased production, use, and discarding of disposable masks, a problem that requires urgent and effective technological solutions to mitigate their negative environmental impacts. Furthermore, over the years significant research efforts have sought to address the challenges of plastic waste and CO2 emission, such as development of chemical upcycling methods and low-cost CO2 capture sorbents at scale, respectively. In this work, …

A Survey Of Stapling Methods To Increase The Affinity, Activity And Stability Of Ghrelin Analogues, Juan Esteban

Electronic Thesis and Dissertation Repository

The growth hormone secretagogue receptor (GHSR) is a G protein-coupled receptor which regulates various important physiological and pathophysiological processes in the body. Ghrelin is the primary high affinity endogenous ligand for GHSR and has limited secondary structure in solution, which makes it proteolytically unstable. This inherent instability in ghrelin can be overcome by incorporating helix-inducing staples that stabilize its structure and improve affinity and activity. We present an analysis of different stapling methods at positions 12 and 16 of ghrelin(1-20) analogues with the goal of increasing proteolytic stability and to retain or improve affinity and activity towards GHSR. Ghrelin(1-20) analogues …

Roundup And Glyphosate’S Impact On Gaba To Elicit Extended Proconvulsant Behavior In Caenorhabditis Elegans, Akshay Naraine, Rebecca Aker, Isis Sweeney, Meghan Kalvey, Alexis Surtel, Venkatesh Shanbhag, Ken Dawson-Scully

Chemistry and Physics Faculty Articles

As 3 billion pounds of herbicides are sprayed over farmlands every year, it is essential to advance our understanding how pesticides may influence neurological health and physiology of both humans and other animals. Studies are often one-dimensional as the majority examine glyphosate by itself. Farmers and the public use commercial products, like Roundup, containing a myriad of chemicals in addition to glyphosate. Currently, there are no neurological targets proposed for glyphosate and little comparison to Roundup. To investigate this, we compared how glyphosate and Roundup affect convulsant behavior in C. elegans and found that glyphosate and Roundup increased seizure-like behavior. …

Adsorption Of Helium And Hydrogen On Triphenylene And 1,3,5-Triphenylbenzene, Bergmeister Bergmeister, Kollotzek Kollotzek, Florent Calvo, Elisabeth Gruber, Fabio Zappa, Paul Scheier, Olof E. Echt

Faculty Publications

The adsorption of helium or hydrogen on cationic triphenylene (TPL, C₁₈H₁₂), a planar polycyclic aromatic hydrocarbon (PAH) molecule, and of helium on cationic 1,3,5-triphenylbenzene (TPB, C₂₄H₁₈), a propeller-shaped PAH, is studied by a combination of high-resolution mass spectrometry and classical and quantum computational methods. Mass spectra indicate that He_nTPL⁺ complexes are particularly stable if n = 2 or 6, in good agreement with the quantum calculations which show that for these sizes the helium atoms are strongly localized on either side of the central carbon ring for n = …

Analyzing Enhanced Electrochemiluminescence Of Novel Materials, Liuqing Yang

Electronic Thesis and Dissertation Repository

As a powerful analytical technique, electrochemiluminescence (ECL) has found wide applications in the fields of bioanalysis and light-emitting devices. However, many ECL materials sustain the shortcomings of low ECL efficiencies. To better design novel materials with ECL enhancement, it is essential to investigate and the enhanced ECL mechanisms. In this thesis, ECL enhancements of various novel materials were analyzed utilizing ECL-voltage curves, potential pulsing experiments, ECL and photoluminescence spectroscopies, and other characterization methods. Specifically, two graphene quantum dots (GQDs) with different heteroatom doping were designed and synthesized. Structural characterizations and spectroscopies demonstrated that the heteroatom doping could change the surface …

Thermo-Responsive Antibiotic-Eluting Coatings For Treating Infection Near Orthopedic Implants, Jan Chung Kwan

Electronic Thesis and Dissertation Repository

The clinical effectiveness of orthopedic devices to restore the function of joints has been well established yet there is a lack of development in associated infections. As the demand for orthopedic surgeries continues to rise, infection remains a growing problem and one of the main reasons for revision surgeries. Bacterial contamination of the surgical site followed by adhesion of bacteria onto the surface of orthopedic devices leads to the formation of a biofilm which is a common initiator for infection. As a result, infection in the orthopedic field is commonly defined as orthopedic device-related infections (ODRI). There are limited options …

Stereoselective Synthesis Of Pseudosaccharide Derivative And Bisphosphoramidate Core Of Em2487, Saad Z. Mohammed Ali

Electronic Theses and Dissertations

HIV is among the leading causes of death worldwide resulting in over 1 million deaths annually according to the World Health Organization. Despite advances in the treatment of HIV, eradicating this pathogen remains a top priority in the medical and scientific communities. EM2487 is a natural product produced by Streptomyces sp. Mer-2487 that possesses promising activity against HIV. Specifically, EM2487 is a potent and selective inhibitor of HIV replication in both acutely and chronically infected cells. The observed HIV activity is hypothesized to be the result of targeting the Tat-TAR (trans-activation response) element which activates RNA polymerase II at the …

A Study Of Red Snapper (Lutjanus Campechanus) Ecology In The Northern Gulf Of Mexico And The Effect Of Variable River Outflow Using Stable Isotope Analysis Of The Food Web And Eye Lenses, Caitlin C. Slife

Dissertations

In the Mississippi Bight and surrounding waters, river outflow impacts the basal resources of the Red Snapper food web, altering carbon sources and impacting prey and predator isotopes. In this study, the impact of riverine outflow on nutrients, particulate organic matter (POM), and physical water parameters on Red Snapper and their food web was analyzed using stable isotope and stomach content analysis over 5 years. The Mississippi, Pearl, Pascagoula, and Mobile rivers were included in the analysis of river impact. The Mississippi and Mobile rivers were found to significantly impact nutrients and POM in the region. River outflow was also …

Computational Study On The Effectiveness Of Flavonoids From Marsilea Crenata C. Presl As Potent Sirt1 Activators And Nfκb Inhibitors, Sri Rahayu, Sasangka Prasetyawan, Sri Widyarti, Mochammad Fitri Atho’Illah, Gatot Ciptadi

Karbala International Journal of Modern Science

Ovarian aging is a natural process in females, and it occurs due to an elevated ROS-induced inflammation caused by oxidative stress. SIRT-1 is a metabolic sensor that tightly regulates oxidative and inflammatory responses. However, this regulative function is antagonized by NFκB. Therefore, the objective of this study was to explore the pathways involved in aging and identify the flavonoid compounds from Marsilea crenata that might be useful as SIRT1 activators and NFκB inhibitors. The screening began with exploring the protein-protein interaction in the experimental process using BioGrid, and the role of the flavonoid was evaluated using STITCH. The interaction between …

Molecular Characterization Of Esbls And Ampc Β-Lactamases In Bacteria Isolated From Currency Notes Circulating In Mosul City, Iraq, Mahmood Zeki Al-Hasso, Shakir Ghazi Gergees, Zahraa Khairialdeen Mohialdeen

Karbala International Journal of Modern Science

The Iraqi currency notes circulating in Mosul city were evaluated for the occurrence of ESBLs and AmpC b-lactamaseproducing bacteria. Four hundred and twenty-two Gram-positive and negative bacterial isolates with different antimicrobial resistance profiles were recovered from 250 samples collected during the period from April to July 2021, among which 150 isolates (35.5%) were multi-drug resistant (MDR). The study found that 16.4% and 14.8% of Gram negative isolates were positive for ESBLs and AmpC phenotypic detection tests, respectively. Interestingly, 6.6% of the isolates were simultaneously positive for both tests. Molecular characterization was carried out using PCR technique to determine the prevalent …

Molecular Docking And Dynamics Simulation Studies To Predict Multiple Medicinal Plants’ Bioactive Compounds Interaction And Its Behavior On The Surface Of Denv-2 E Protein, Arief Hidayatullah, Wira Eka Putra, Muhaimin Rifa’I, Sustiprijatno Sustiprijatno, Diana Widiastuti, Muhammad Fikri Heikal, Hendra Susanto, Wa Ode Salma, Hilal Mulyadi

Karbala International Journal of Modern Science

The envelope protein (E) is a fusion class II protein that is essential for DENV fusion. We use two active compounds derived from commonly used plants in Indonesia: galangin and kaempferide. We ran a docking and 1000 ps molecular dynamic analysis with normal physiological parameters. During the simulation, galangin and kaempferide binding sites fluctuated. But chloroquine has lesser ligand mobility, hence keeping contact with fusion loops, whereas both drugs lose contact with hydrophobic pockets. However, the two active compounds have a more stable ligand configuration. Less than 2 Å alterations were seen in the RMSF simulation of the protein E …

Meta-Analysis Reveals Both The Promises And The Challenges Of Clinical Metabolomics, Heidi E. Roth, Robert Powers

Chemistry Department: Faculty Publications

Clinical metabolomics is a rapidly expanding field focused on identifying molecular biomarkers to aid in the efficient diagnosis and treatment of human diseases. Variations in study design, metabolomics methodologies, and investigator protocols raise serious concerns about the accuracy and reproducibility of these potential biomarkers. The explosive growth of the field has led to the recent availability of numerous replicate clinical studies, which permits an evaluation of the consistency of biomarkers identified across multiple metabolomics projects. Pancreatic ductal adenocarcinoma (PDAC) is the third-leading cause of cancer-related death and has the lowest five-year survival rate primarily due to the lack of an …

Zno Nano-Swirlings For Azo Dye Ar183 Photocatalytic Degradation And Antimycotic Activity, Khalid Umar, Manar Fawzi Bani Mfarrej, Qazi Inamur Rahman, Mohammad Zuhaib, Amir Khan, Qamar Zia, Saeed Banawas, Hera Nadeem, Mohd. Farhan Khan, Faheem Ahmad

All Works

The sol-gel technique was used to fabricate ZnO Nano-swirlings (ZNsw) at a predetermined agitation rate (of >> 1900 rpm), with around 21.94 gm of zinc acetate dihydrate and 0.2 g cetyltrimethylammoniumbromide (CTAB) and a cationic surfactant (drop-wise). The impact of the predetermined agitation condition on the molecular size and morphology of ZNsw is examined, and the outcomes are dissected by useful characterization tools and techniques viz. XRD, SEM embedded with EDS, TEM, FT-IR and UV–visible. The SEM and TEM results suggest that the product formed into a big cluster of adequate ZNsw, containing a significant quantity of folded long thread-lengths. Each …

Effect Of Ligands And Their Removal On The Au Nanoparticle-Catalyzed Reduction Of 4-Nitrophenol, Nicholas Langer, Ofer Kedem

Chemistry Faculty Research and Publications

The catalytic activity of gold nanoparticles (Au NPs) is strongly affected by the organic ligands coating them, which afford colloidal stability and are most commonly attached during the synthesis of the Au NPs. However, different ligands also produce Au NPs of different sizes and morphologies, complicating the study of the impact of the ligands themselves. Alternatively, postsynthetic ligand exchange risks incomplete exchanges and a mixed ligand shell, as well as colloidal instability. Here, Au NPs are immobilized on glass supports to afford truly ligand-free, solvent-stable Au nanoislands (NIs). The catalytic activity of Au NIs, uncoated and coated with a variety …

Fabrication Of Gold Nanoraspberry Arrays By Soft Lithography, Christy Yu-Qing Xie

Undergraduate Student Research Internships Conference

Nanostructures and nanoparticles have garnered increasing interest over the past decade due to their unique properties and applications. These properties include localized surface plasmon resonance (LSPR) and allow for surface modification. We can tune these properties depending on the nanoparticle’s size, shape, and geometry.

This work aims to fabricate plasmonic platforms through patterning gold nanoparticles (raspberries) by microcontact printing, a simple and cost-effective soft lithography technique. This is done through large-scale patterning using polydimethylsiloxane (PDMS) stamps to pattern an adhesion template and spatially guide the adsorption of gold nanoparticles (AuNPs).

Enhancing Chemistry Education Through Team-Based Active Learning Strategies, Katelyn Helka

Undergraduate Student Research Internships Conference

Retention in STEM can be impacted by different psychosocial factors like sense of belonging, STEM identity, sense of community, and sense of support. The research conducted was used to design a study that will measures these psychosocial factors at the beginning and end of a first-year, general chemistry course. The research also aimed to determine the best active learning method to implement in the general chemistry course, that has over 2000 students enrolled in it, that could improve student feelings towards these psychosocial factors.

Modified Synthesis Of A Photoswitchable Aa-Dd Hemthioindigo-Based Hydrogen Bond Complex, Victoria Chou, Paul Winiarz, James Wisner, Fereshteh Davoud,

Undergraduate Student Research Internships Conference

No abstract provided.

Comparing Computational Methods By Stretching Diatomic Molecules, Aaron Mitchell

Undergraduate Student Research Internships Conference

A comparison of functionals was done by comparing full electron density profiles along the bond axis of H₂ and N₂. Additionally, based on the success of the (HF)-DFT method, the goal of this project was to compare the mRKS method to (HF)-DFT.

Bismuth Binding In Human Metallothionein, Emily M. Toswell

Undergraduate Student Research Internships Conference

Bismuth metal is one of the least toxic heavy metals for humans. It is used in a wide variety of applications including organic synthesis, cosmetics and pharmaceutical applications. In biomedicine, bismuth is a therapeutic metal used in metallodrugs such as Pepto Bismol for its antimicrobial and antibacterial properties. Metallothionein (MT) is a cysteine rich protein found in the liver, kidneys, brain and central nervous system. MT can bind a variety of metals including essential metals such as zinc and copper. This research investigates the binding pathway of Bi[EDTA]- with fully metallated Zn₇MT by using mass-spectrometry and UV-vis absorption.

Optimization Of The Synthesis Parameters Of Sapo-34, Adam Honchar

Undergraduate Student Research Internships Conference

A microporous material known as SAPO-34 is a very efficient catalyst in methanol-to-olefins reactions. My project aimed to optimize synthesis parameters of SAPO-34 to reduce crystallization time in order to study the formation mechanism using In-situ NMR spectroscopy. Understanding the crystallization mechanism would allow us to make it more efficient and tailor-made to fit for other applications.

Contact Angle & Electrochemical Measurements Of Metallic Atmospheric Corrosion On Copper And Carbon Steel, Jacob J.M. Bunting, Jiju M. Joseph, Heng-Yong Nie, Samantha M. Gateman

Undergraduate Student Research Internships Conference

Understanding atmospheric corrosion has been incredibly challenging due to the complex interplay between surface microstructures, environmental variables, and electrochemical processes. The methodology presented is being developed to apply to atmospheric corrosion models of metals and other advanced materials by observing the change in contact angle in situ as a function of corrosion parameters. Performed contact angle measurements on two industrially relevant metals (copper and carbon steel) over a 1 min to 30-day time span to track the change in wettability due to the formation of an air-formed oxide layer (aged) as a function of surface roughness.

Simple And Fast Fabrication Methodology For Platinum And Carbon Ultramicroelectrodes (Ume) In Scanning Electrochemical Microscopy (Secm), Emma Mae Lord, Jiju Joseph, Samantha M. Gateman, Zhifeng Ding

Undergraduate Student Research Internships Conference

Scanning electrochemical microscopy (SECM) is a highly versatile method for measuring and imaging a wide range of systems. When paired with an intricately made ultramicroelectrode (UME) probe, SECM becomes an even more powerful tool for imaging microscale features in a system. However, purchasing these UME’s comes at a high cost with less ability for modification. Having high quality UME’s expands the ability of SECM and enables precise measuring and imaging in a wide range of applications such as solar cells in Dr. Ding’s lab, and corroding metals in Dr. Gateman’s lab. To combat this issue of high cost and set …

Synthesis And Characterization Of D5-Barbarin For Use In Barbarin-Related Research, Sucheta Kudrimoti, Jacob Machin, Adedamola S. Arojojoye, Samuel G. Awuah, Rodney Eisenberg, Clara Fenger, George Maylin, Andreas F. Lehner, Thomas Tobin

Maxwell H. Gluck Equine Research Center Faculty Publications

Based on structural similarities and equine administration experiments, Barbarin, 5-phenyl-2-oxazolidinethione from Brassicaceae plants, is a possible source of equine urinary identifications of aminorex, (R,S)-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine, an amphetamine-related US Drug Enforcement Administration (DEA) controlled substance considered illegal in sport horses. We now report the synthesis and certification of d₅-barbarin to facilitate research on the relationship between plant barbarin and such aminorex identifications. D₅-barbarin synthesis commenced with production of d₅-2-oxo-2-phenylacetaldehyde oxime (d₅-oxime) from d₅-acetophenone via butylnitrite in an ethoxide/ethanol solution. This d₅-oxime was then reduced with lithium aluminum …

A Revised Synthesis Of 6-Alkoxy-2-Aminopurines With Late-Stage Convergence Allowing For Increased Molecular Complexity†, Lavleen Mader, John J. Hayward, Lisa A. Porter, John F. Trant

Chemistry and Biochemistry Publications

6-Alkoxy-2-aminopurine derivatives are potent inhibitors of Cyclin Dependent Kinases (CDKs), with some selectivity towards CDK2 and thus have potential as cancer therapeutics. Development of these inhibitors for targeting CDK2-cyclin A/E complexes has previously involved a thorough investigation of structure activity relationships of the C-2 amine moiety. However, the established synthesis of these compounds, which uses the alcohol reagent as solvent, limits the complexity of the O-6 functionality which is required for more selective targeting. Herein we report an improved and refocused synthesis of a model CDK2 inhibitor (NU6247), affording convenient access to inhibitors with O-6 substituents whose parent alcohol is …

Collaborative Research: Developing Advanced Magnesium Electrolytes Toward Low Cost, High Energy Density Mg Batteries, Tianbiao Liu

Funded Research Records

No abstract provided.