Synthesis And Characterization Of Carbon Quantum Dots And Gold Nanoparticles For Norovirus Biosensing Applications In Water Systems, Breanne Evans

Master's Theses

Rapid, reliable detection of viral pathogens remains a significant challenge across water-treatment and environmental monitoring systems, including drinking-water, wastewater, water reuse, and environmental surveillance applications. Waterborne viral contamination can pose substantial public-health risks, making early detection essential for protecting water quality and responding quickly to treatment failures or contamination events. Direct potable reuse (DPR) is one particularly demanding example because it requires continuous verification of treatment performance and the broader need for rapid virus monitoring extends across many water-treatment and environmental surveillance applications. Norovirus is a priority target because of its widespread occurrence in wastewater, environmental persistence, and exceptionally low …

Crystal Structure Of New Polar Rare Earth Borates Na2.62Ln2.12(Bo3)3 (Ln = Pr, Nd, Sm) Containing Isolated Bo3 Groups, Alevtina A. Maksimova, Mark D. Smith, Hans Conrad Zur Loye

Faculty Publications

Three new rare earth borates, Na2.62Ln2.12(BO3)3 (Ln = Pr, Nd, Sm), were synthesized via a high-temperature solution reaction using a BaCO3–H3BO3–NaF flux and structurally characterized by single-crystal X-ray diffraction analysis. The compounds crystallize in the orthorhombic space group Amm2 with lattice parameters a = 5.0985(10) Å, b = 11.180(2) Å, c = 7.1483(14) Å, and a unit cell volume of 407.48(14) ų (Z = 2) for Na2.62Pr2.12(BO3)3, a = 5.0983(10) Å, b = 11.181(2) Å, c = 7.1491(14) Å, and a unit cell volume of 407.51(14) ų (Z = 2) for Na2.62Nd2.12(BO3)3, and a = 5.08630(10) Å, b …

Single Crystal Growth Of The Orthoborate Nabalu(Bo3)2 And Optical Investigation Of Eu3+ And Tb3+ Doped Nabalu(Bo3)2, Alevtina A. Maksimova, Mark D. Smith, Lakshani W. Masachchi, Hans Conrad Zur Loye

Faculty Publications

Sodium barium lutetium borate NaBaLu(BO₃)₂ crystals were synthesized using a high-temperature solution method. The crystal structure of this layered orthoborate is described and corresponds to that of an extensive orthoborates family, NaBaR(BO₃)₂ (R = Sc, Y, Yb, Tb – Lu). NaBaLu(BO₃)₂ was doped by Eu³⁺ and Tb³⁺ to explore its performance as a host material and to investigate the luminescent properties of the Eu³⁺ and Tb³⁺ doped materials. The emission spectra of the NaBaLu(BO₃)₂:Ln (Ln = Eu, Tb) crystals are presented. The most …

Effects Of Bidisperse Gold Nanoparticles On Near-Infrared Surface-Enhanced Raman Spectroscopy (Sers) In Quick-Freezing-Induced Gold Nanoparticle Aggregates (Qfiaas), Elissa M. Dojka

Forensic Science Master's Projects

Gold nanoparticle (AuNP) aggregates formed via rapid freezing in liquid nitrogen exhibit strong near-infrared (NIR) plasmonic coupling. These quick-freezing-induced AuNP aggregates (QFIAAs) form moderately sized, colloidally stable structures that remain suspended for over three months, supporting a variety of analytical applications. Mechanistically, QFIAA formation arises from the confinement of nanoparticles and ions within advancing ice grain boundaries during freeze-concentration. This mechanical crowding promotes extreme physical proximity while simultaneously elevating local ionic strength, which screens electrostatic barriers to drive the assembly of dense, tightly coupled plasmonic networks.

This study investigates the plasmonic and surface-enhanced Raman scattering (SERS) behavior of bidisperse QFIAA …

Developing Solvent Tolerant Microbial Membranes: Lipid Extraction And Laurdan Fluorescence Approaches For Biofuel Optimization, Gladstone Anku

Electronic Theses and Dissertations

The high demand for sustainable energy has increased interest in advanced biofuels, though production is limited by solvent toxicity to microbial hosts. This study investigated the role of lipid composition in modulating membrane fluidity and solvent tolerance using Bacillus subtilis as a model organism. Five strains were cultured, and membrane lipids were extracted and analyzed using thin-layer chromatography and gas chromatography–mass spectrometry; however, inconsistent results limited compositional characterization. To address this problem, reconstituted vesicles composed of phosphatidylglycerol (PG) and phosphatidylethanolamine (PE) were used as model membranes. Membrane fluidity was assessed using Laurdan fluorescence spectroscopy by measuring generalized polarization (GP) values …

Analysis Of Terpenes In Cannabis Flowers Using Gas Chromatography Via Headspace-Solid Phase Microextraction (Hs-Spme), Hannah I. Bergner

Forensic Science Master's Projects

As cannabis commercialization grows, rigorous profiling of cannabinoids, terpenes, and chemical contaminants is legally required for industry standardization and consumer safety. Terpenes are highly volatile components that dictate the unique aromatic profiles and therapeutic properties of cannabis via receptor pathways. This project focused on a gas chromatography-flame ionization detector/mass selective detector (GC-FID/MSD) combined with headspace-solid phase microextraction (HS-SPME) sampling to analyze terpenes present in four cannabis samples. Cannabis samples were tightly sealed in vials (10 mL) and heated to vaporize terpenes in the headspace above the samples, followed by the extraction of the vaporized terpenes using a polydimethylsiloxane (PDMS)-coated SPME …

Pesticide Dissipation In Agroecosystems – Exploring Pesticide Fate And Transport Mechanisms To Protect Alternative Pollinators, Calvin Luu

All Graduate Theses and Dissertations, Fall 2023 to Present

Honey bees are the most well-known pollinators, but there exists thousands of other bee species that contribute to pollination; one such group of bees are the solitary bees. True to their namesake, solitary bees do not live in hives like honey bees. Some solitary bees, like alfalfa leafcutting bees (ALCB) and blue orchard bees, can pollinate crops more efficiently than honey bees. However, since they live solitary lives, pesticide exposure is much more harmful to their overall population. If one honey bee dies from pesticide exposure, the hive can still survive, and the queen bee will continue producing offspring. If …

Method Validation Of The Cdc Bottle Bioassay And A Historical Record Of Polycyclic Aromatic Hydrocarbons In Glacier National Park, Evah F. Peard

All Graduate Theses and Dissertations, Fall 2023 to Present

Certain contaminants can persist in the environment for long periods of time, build up within living tissues, travel far from their origin, and harm both ecosystems and organisms. This thesis focuses on two types of contaminants: insecticides and polycyclic aromatic hydrocarbons (PAHs). Insecticides are manufactured to control pests while PAHs are found in oil and gas products and can be produced by industry, vehicle engines, and wildfires. Understanding how harmful these contaminants are and where they end up in the environment is critical for protecting environmental health.

First, I evaluated a widely used test developed by the Centers for Disease …

On The Operation Of A Proteomics Core Facility: Selected Mass Spectrometric Studies And Methods, Rachel E. Muriph

Graduate Doctoral Dissertations

Mass spectrometry has become an indispensable analytical platform for investigating complex biological systems owing to its sensitivity, selectivity, and molecular specificity. This Dissertation demonstrates the versatility of liquid chromatography-tandem mass spectrometry (LC-MS/MS) through three studies focused on nanoparticle characterization, protein structural analysis, and plasma proteomics. In Chapter 2, LC-MS methods were developed to characterize novel lipidoid incorporated into lipid nanoparticles (LNPs) and to evaluate their in vivo biodistribution following systematic administration. Comparative proteomic analysis of the resulting protein coronas revealed distinct differences between liver and lung targeting LNP formulations, providing insight into the potential role of adsorbed blood proteins in …

Phytochemical Analysis And Safety Assessment Of Watercress Nasturtium Officinale: Antioxidant Capacity, Heavy Metal Profiling, And Toxicity Using Brine Shrimp Model, Qurrota A’Yunin, Chamini Kasun Hemachandra, Muhaimin Rifa’I, Yoga Dwi Jatmiko, Maftuch Maftuch, Rizky Fadilla Agustin Rangkuti, Cucun Herlina, Zulfa Mahdiatur Rasyida, Moh Dliyauddin

Karbala International Journal of Modern Science

Medicinal plants have attracted growing attention as sources of natural bioactive compounds for sustainable aquaculture and health. This study evaluated the phytochemical composition, antioxidant activity, heavy metal profile, and acute toxicity of watercress (Nasturtium officinale W.T. Aiton) methanol extract using maceration, qualitative and quantitative (TPC, TFC, antioxidant DPPH) phytochemical assay, XRF, and BSLA. Phytochemical screening of plant extracts showed the existence of flavonoids, alkaloids, phenols, tannins, triterpenoids, and saponins, but not steroidal. The TPC and TFC were 20.6 mg GAE/g and 10.8 mg QE/g, respectively. The extract displayed significant antioxidant activity (IC₅₀ = 64.78 µg/mL in DPPH assay). …

Enhanced Transdermal Immunization Via Solid-In-Oil Nanodispersions Incorporating Dendritic Cell-Targeting Peptide, Md Samiul Islam, Md. Shahin Ekka Sarker, Yoshirou Kawaguchi, Rie Wakabayashi, Noriho Kamiya, Muhammad Moniruzzaman, Masahiro Goto

Publications and Research

Transdermal immunization represents a promising needle-free alternative to conventional vaccination. However, efficient antigen delivery and robust immune activation remain major challenges. In this study, a solid-in-oil (S/O) nanodispersion system comprising a dendritic cell-targeting peptide (HR8), ovalbumin (OVA), and an adjuvant was developed for transdermal immunization. The HR8 peptide along with OVA was successfully incorporated into an S/O nanodispersion with an optimal hydrodynamic diameter of particles (< 200 nm) and exhibited stable physical properties for up to 90 days. In vitro and in vivo studies demonstrated enhanced antigen delivery with insignificant skin irritation in C57BL/6N mice. Moreover, in vivo transdermal immunization studies demonstrated that the addition of the HR8 peptide enhanced OVA-specific IgG responses (~1.5-fold). Notably, the HR8 peptide also promoted an approximately 2.5-fold increase in IgG2c levels, suggesting a shift toward a more T helper type 1-biased immune response, as reflected by an increased IgG2c/IgG1 ratio. Overall, these findings demonstrate that the incorporation of HR8 peptide into an S/O nanodispersion enables efficient transdermal antigen delivery and improved immunogenicity, highlighting its potential as a simple, non-invasive, and patient-friendly immunization strategy.

The Study Of Hydrophobic Biomolecules With Matrix Assisted Laser Desorption Ionization Mass Spectrometry And Atomic Force Microscopy, Brandy L. Perkins

LSU Doctoral Dissertations

Abstract

Matrix assisted laser desorption ionization (MALDI) mass spectrometry (MS) can be used to obtain localization and chemical information of hydrophobic biomolecules on tissue samples.  A technique has been developed to modify a standard MALDI matrix that improves the selectivity for hydrophobic biomolecules on the tissue sample. The modification involves the use of a Group of Uniform Materials Based on Organic Salts (GUMBOS). GUMBOS are ionic liquids (IL) that are bulky organic ions with a counter ion that can be changed for tuning.  They are more stable than traditional matrices under vacuum.  Unlike traditional IL’s, the GUMBOS melting point ranges …

Information Theory Analysis Of Water Vapor Stable Isotopes From The Sail Campaign, Matthew John Rybecky

Earth and Planetary Sciences ETDs

Understanding the processes that control water vapor isotopic composition in mountain environ- ments is essential for interpreting isotope records and predicting water resource responses to cli- mate change. This thesis applies information theory to continuous, high-resolution water vapor stable isotope measurements from the Surface Atmosphere Integrated Field Laboratory (SAIL) campaign in the East River watershed of Colorado’s Upper Gunnison Basin, spanning the winter- to-spring transition of 2022–2023. The analysis employs Shannon entropy, mutual information, transfer entropy, and joint transfer en- tropy (JTE) to quantify how environmental variables, including surface meteorology, radiation, tur- bulent fluxes, and ERA5 reanalysis products, transfer information …

Elucidation Of Spin-Hamiltonian Parameters Via Spectroscopy, Magnetization, And Computation, Joshua C. Mengell

Chemistry and Chemical Biology ETDs

Molecular Quantum Information Science (QIS) is fundamentally concerned with using spin-systems as quantum bits (qubits) or as sensors. Prerequisite to using molecular systems for QIS applications, it must be understood how one can design molecules with bespoke magnetic characteristics. Herein we study various paramagnetic molecular compounds, describing their complex magnetic characteristics using a spin-Hamiltonian formalism. We utilize various (sometimes novel) methods for determining these spin-Hamiltonian parameters. Many of these molecules possess magnetic characteristics, which make them attractive as qubits or for sensing applications. These characteristics include higher total spin-states (qudits—S_T>1/2), forbidden interstate electronic transitions, systems of spatially distant …

Exploring The Nature And Role Of Local Cation Ordering In Disordered Rock Salt Cathodes For Li- And Na-Ion Batteries, You Wang

Chemistry and Chemical Biology ETDs

Cation-disordered rock-salt (DRX) cathodes provide a highly tunable platform for next-generation Li- and Na-ion batteries, but their electrochemical behavior is strongly influenced by local structural features hidden in average crystal structures. This dissertation systematically investigates local cation ordering in Li- and Na-based DRX cathodes to understand its effects on Li+/Na+ transport, redox activity, structural evolution, and electrochemical performance. In Li-based systems, Raman spectroscopy and electrochemical analysis reveal that local layered cation ordering in Mn- and Fe-based DRX cathodes is closely correlated with electrochemical behavior. Over-stoichiometric Li-based DRX oxyfluorides further demonstrate that excess Li can regulate local cation ordering, improve Li+ …

Dynamic Reconstruction Engineering Of Anti-Corrosion Ni-Based Anodes For Alkaline Seawater Electrolysis, Yi-Gang Zhang, Wen-Wen Xu, Tian-Yu Zhang, Zhi-Yi Lu

Journal of Electrochemistry

Green hydrogen production via alkaline seawater electrolysis offers an environmentally sustainable and potentially cost-effective route to address both energy and climate challenges. Achieving long-term anode stability under complex ionic environments and industrial current densities remains a central bottleneck. Specifically, Ni-based anodes exhibit intense surface reconstruction during the oxygen evolution reaction, necessitating dynamic anti-corrosion strategies. This mini review systematically summarizes reconstruction engineering approaches to develop anti-corrosion Ni-based anodes of alkaline seawater electrolysis across increasingly complex ionic environments from simulated seawater to real seawater: (i) Cl^– dominated; (ii) Cl^– with co-existing oxyanions, and (iii) Cl^–  with co-existing Br^{– …}

Preparation And Performance Study Of In-Situ Self-Assembled Biphasic Smmn2O5-Nimn2O4 Composite Cathode, Neng-Chu Xia, Yu Zhou, Qin Wang, Jia-You Zhang, Chun Yu, Yang Zhang, Wan-Bing Guan, Jian-Xin Wang

Journal of Electrochemistry

Mullite-structured oxides exhibit excellent oxygen reduction reaction activity, possess a low thermal expansion coefficient due to their unique crystal structure, and can eliminate the need for a barrier layer and simplify the preparation process as they contain no alkaline earth elements. Thus, they hold great promise as novel cathode materials for solid oxide fuel cells. In this work, a mullite-spinel-structured SmMn₂O₅-NiMn₂O₄ (SMO-NMO) composite cathode was one-step synthesized via a solid-liquid composite route, and its in-situ self-assembly enabled good compatibility with the electrolyte without any barrier layer. Characterization results showed that the SMO:NMO = …

In-Situ Stm Visualization Of Molecular Structural Evolution During Electrochemical Oxidation Coupling Of Para-Aminothiophenol On Au(111), Zi-Wei Ma, Tai-Rui Wu, An-Ni Zheng, Lai-Ke Chen, Yuan-Hui Xiao, Zhao-Bin Chen, Qing-Na Zheng, Jian-Zhang Zhou, Jia-Wei Yan, De-Yin Wu

Journal of Electrochemistry

Para-aminothiophenol (PATP) is not only a widely-used probe molecule in the field of surface-enhanced Raman spectroscopy (SERS), but also an important model molecule for interfacial reactions, exhibiting distinct photo- and electro-oxidation pathways, so that PATP is selectively activated under different external fields. The evolution of products and intermediates during electrochemical oxidative coupling remains unknown. In this study, we have investigated the dynamic electrochemical oxidation process of PATP on the Au(111) surface using cyclic voltammetry, electrochemical (EC)-SERS, and in situ electrochemical scanning tunneling microscopy (EC-STM). The results showed that PATP forms an unsaturated adsorption coverage on Au(111) in an acidic solution. …

The Characterization Of Bridging Waters And Ions In Protein-Rna Complexes, Leslie Duong

Master's Theses

Here we explore the role of bridging waters and ions in protein-RNA complexes. From an initial set of 33 high-resolution X-ray crystal structures, 17 were identified such that protein-RNA complex and component protein and RNA chains were found within 1 pH unit as indicated by crystallization conditions and their diffraction temperatures meeting one of two ranges: above or below freezing. To define an even more realistic set, 12 unbound-unbound and unbound-pseudo-unbound complexes from the 17-set were studied, showing the large fraction of complexes indicating more protein and RNA water hydrogen bonding in their actual interfacial regions as opposed to those …

Cytotoxicity Of Bioactive Peptides From Cowpea (Vigna Unguiculata L. Walp) Against Breast Cancer Cells (Mcf-7), Dian R. Ningsih, Zusfahair Zusfahair, Ely Setiawan, Purwati Purwati, Kasta Gurning, Fitri A. Puspita Sari, Elya Widiawati

Karbala International Journal of Modern Science

Cancer is characterized by dysregulated metabolic signaling pathways, leading to uncontrolled cellular proliferation. Current cancer treatments, which involve surgery, radiotherapy, and chemotherapy, still cause adverse systemic toxicities. Accordingly, one possible effort that can be undertaken is to explore safe anticancer substances from protein sources such as peptides. Bioactive peptides can be isolated by hydrolyzing cowpea (Vigna unguiculata L. Walp) protein with trypsin. The objectives of this study were to isolate and fractionate bioactive peptides from cowpea, to determine the anticancer activity of peptide fractions, to identify active peptide fractions as anticancer agents using Liquid Chromatography High Resolution Mass Spectrometry …

Exogenous Ribosome Incorporation Induces Lineage Transdifferentiation In Intestinal And Liver Cancer Cells, Haoxuan Gu, Nadia Wahyuningsih, Keisuke Yamashita, Shota Inoue, Fuchao Tan, Mani Sharaki, Muhaimin Rifa’I, Kunimasa Ohta

Karbala International Journal of Modern Science

It has previously been shown that exogenous bacterial ribosomes added to somatic cells and various cancer cell lines generate ribosome-induced cell clusters (RICs) capable of transdifferentiating into multiple cellular lineages. However, the scope of ribosome-induced transdifferentiation in cancer cells remains poorly understood. This study aimed to analyze the effects of exogenous ribosome incorporation on human cancer cell lines, specifically the intestinal epithelial cell line Caco-2 and the hepatocellular carcinoma cell line HepG2. Caco-2 and HepG2 cells were cultured with purified bacterial ribosomes in human ES/iPS cell medium after trypsinization, resulting in the formation of ribosome-induced Caco-2 (RICs-Ca) and HepG2 (RICs-He) …

Selenoprotein P And Selenium As Potential Diagnostic Biomarkers For Breast Cancer Patients, Farah A. Rashid, Rawaa A. Ali, Hanaa A. Ali

Karbala International Journal of Modern Science

Breast cancer incidence increases in last decade. Oxidative stress increases during cancer development causes consuming of antioxidants. Selenium and its transporting protein, selenoprotein P have an important role in redox homeostasis. This study aims to investigate whether or not selenium and selenoprotein P could be diagnostic biomarkers for breast cancer patients. This study was included 30 individuals in control group who is age- and BMI-matched with 60 breast cancer patients. Selenium was measured by colorimetric assay kit and selenoprotein P was determined by Sandwich ELISA kits. The results indicate significant decrease (p < 0.0001) of serum selenium and selenoprotein P in breast cancer patients compared to control. A positive significant correlation (r = 0.6214, p < 0.0001) was found between selenium and selenoprotein P in breast cancer patients. Selenium has an excellent diagnostic accuracy with area under curve 0.9831, sensitivity 95% and specificity 100% at cut-off less than 3.54 mmol/L. Furthermore, selenoprotein P has also an excellent area under curve 0.9958 with sensitivity 96.77% and specificity 100% at cut-off less than 4.15 ng/ml. These exploratory findings appear that selenium and selenoprotein P could be potential diagnostic biomarkers for breast cancer patients. Further investigations in large-multicenter populations are needed to confirm results.

Tapping Into The Ocean’S Hidden Energy: Feasibility Of A 5 Mw Otec Installation In North Bali, Widodo Setiyo Pranowo, Yani Permanawati, Gisela Malya Asoka Anindita, Agung Kurniawan, Albertus Sulaiman, Johar Setiyadi, Safri Burhanuddin, Ivonne Milichristi Radjawane, Hansan Park, Endro Sigit Kurniawan

Karbala International Journal of Modern Science

Indonesia is an archipelagic country surrounded by water and faces energy challenges due to the low use of renewable energy. Among the potential renewable options, marine energy is a particularly suitable resource given the country’s geographical nature. Based on this discussion, seawater temperature can be used as an alternative ocean thermal en-ergy known as ocean thermal energy conversion (OTEC) by using the difference in sea surface and deep-sea water temperatures. Therefore, this study aimed to examine OTEC installations in North Bali waters using closed-cycle OTEC calculations for a 5 MW system. Following this objective, we examined the water conditions by …

Ni2-Imido Bispincer Platforms: Cooperative Reactivity Enabled Through Substrate Addition Across A Ni2n Unit, David De Los Santos, Kritika Gour, Manar M. Shoshani

School of Integrative Biological & Chemical Sciences Faculty Publications

Transition metal imido complexes are renowned for their capacity to undertake challenging 1,2 additions owing to the high basicity of the imido moiety. Access to transition metal imidos is often limited to the addition of organic azides to metal precursors, hindering the design of molecular constructs incorporating imido units. Bimetallic bispincer complexes, 1 and 2, are presented, which are anchored by a central imido moiety supported by pyridyl imine donors, forming highly planarized Ni2N-aryl cores. Complex 2, which also features a Ni─Ni σ-bond, is able to engage in cooperative substrate cleavage of main group hydrides via a formal 1,2 addition …

“Innocent” Electrolytes Can Influence Organic Electrosynthetic Selectivity, Zachary A. Nguyen, Nhu H. Quach, Mayank Tanwar, Joshua A. Beeler, Kevin Mcfadden, Dylan G. Boucher, Matthew Neurock, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

Organic electrosynthesis has emerged as a powerful strategy for leveraging electricity in organic synthesis. Despite its growing popularity, the fundamental molecular interactions governing electrochemical systems remain poorly understood. Many electrosynthetic reactions show strong dependence on the identity of the allegedly inert supporting electrolyte, which can significantly impact yields and selectivity, yet the physical origins of these effects are largely unexplored. A mechanistic understanding of electrolyte effects would enable more rational reaction design for applications. Here, we use cyclic voltammetry to investigate cobalt-based metal–carbon bond homolysis and elucidate how common supporting electrolytes influence reaction rates. Bulk electrolysis experiments further reveal how …

Deciphering The Potential Of Monopterus Albus Protein Hydrolysate As A Therapeutic Candidate Against Cervical Cancer By Integrating Content Analysis, Network Pharmacology, And Molecular Docking, Okid Parama Astirin, Widya Mega Rahmawati, Elisa Herawati, Tetri Widiyani, Lili Pandan Sari, Sherly Octaviana

Karbala International Journal of Modern Science

Cervical cancer has a high incidence rate in women, making the development of cancer drugs increasingly urgent. Asian swamp eel protein hydrolysate shows great promise as an anticancer candidate. This study aimed to reveal the potential of Asian swamp eel protein hydrolysate as an anticancer candidate in the cervix. Asian swamp eel protein hydrolysate was produced by hydrolyzing flesh with the enzyme alcalase. Compounds and peptides were identified using LC-HRMS. These compounds and peptides were analyzed using network pharmacology, gene ontology, and molecular docking. The results identified 153 endogenous compounds, including fatty acids and peptides. The key proteins targeted by …

Solvent-Free Ball-Milling Synthesis Of 1,2-Disubstituted Benzimidazoles, Zachary A. Jaffery, Katherine E. Christopher, Kyle A. Grice

DePaul Discoveries

The search for sustainability in chemistry has led to the development of the field of Green Chemistry, comprised by 12 guiding principles. Existing syntheses of benzimidazoles, a heterocycle widely used in medicinal chemistry, utilize methods with much room for improved sustainability. This work presents a solventless mechanochemical synthesis of 1,2-disubsituted substituted benzimidazoles from the condensation of phenylenediamines and aryl aldehydes. The effect of milling aid on yield and selectivity was investigated and montmorillonite K10 was determined to be the best milling aid. The purification protocol was optimized as well, with a heptane:EtOAc extraction and subsequent recrystallization from EtOH found to …

The Sigma Ring And Other Distinctive Features Of Surface Potentials Of Group 1 Systems, Kelling J. Donald, Victoria Rankin, Brice Di Carlo, Jonathan E. Findley, Ethan B. Leonard

Chemistry Faculty Publications

For a sigma hole induced on a terminal atom, such as a halogen atom (X) in a molecule R-X, it is commonly expected that the maximum potential in that sigma hole will arise along the extension of the R-X bond, opposite the overlap region. We find, however, that for the majority of group 1 halides (MX) that expectation fails. Conventional sigma holes appear on Na in its halides and hydrides, but not so for M = K, Rb, or Cs. Instead, a sigma ring─a latitudinal ring maximum─is observed in the surface potentials of those molecules. That anomaly is examined, and …

Real-Time Image Denoising And Reconstruction Using Generative Adversarial Networks (Gans), Roa'a M. Al_Airaji, Haider Th. Salim Alrikabi, Rula Kamil, Svyd Iryna

Karbala International Journal of Modern Science

This paper presents a real-time image denoising and reconstruction system based on a compact Generative Adversarial Network (GAN) designed for embedded systems and edge computing. The proposed model employs a [ generator and a PatchGAN discriminator, trained using hybrid loss function that combines L1, perceptual, and adversarial terms to balance pixel and perceptual realism. Evaluations were conducted on multiple datasets, including DIV2K, BSD68, SIDD, DND, RENOIR, and PolyU at noise levels (σ = 15, 25, 50). Quantitatively, the proposed model achieves an average PSNR of 32.8 dB and an SSIM of 0.88, which is higher by more than 3 dB …

An Automated Electrochemistry Platform For Accelerating The Characterization Of Enzymatic Electrochemistry, Michael A. Pence, Zachary A. Nguyen, Luke G. Kays, Dylan G. Boucher, Joaquín Rodríguez-López, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

Enzymatic electrochemistry harnesses the selectivity of enzymes to enable electrochemical applications spanning sensing, synthesis, and energy conversion. However, the sequential nature of electroanalytical experiments limits throughput, restricting the scale at which enzyme-electrode systems can be screened. Here we demonstrate the capabilities of an automated electrochemistry platform, eLab, to increase the throughput of enzymatic electrochemistry investigations. We used the eLab to collect over 10,000 cyclic voltammograms across a large parameter space consisting of two enzyme variants (promiscuous and wild-type glucose oxidase), 20 saccharide substrates, 21 concentrations, and four scan rates, with measurements being made all in triplicate. The expansive dataset enabled …