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Fabrication And Characterization Of Epoxy Resin Co-Doped With 2,5-Diphenyloxazole And Cerium Fluoride Nanoparticles For Radiation Detection, Akapong Phunpueok, Jaruwan Seangrit, Sarawut Jaiyen, Krittiya Sreebunpeng, Wuttichai Chaiphaksa, Kewalee Nilgumhang, Voranuch Thongpool

Karbala International Journal of Modern Science

This paper presents the fabrication and characterization of a plastic scintillator prepared from epoxy resin doped with 2,5-diphenyloxazole (PPO) and cerium fluoride nanoparticles (CeF₃ NPs) for radiation detection. The CeF₃ NPs were prepared by a chemical process and examined by X-ray diffraction (XRD) and scanning electron microscopy (SEM); it was found that the prepared particles were true CeF₃ NPs with an average particle size of approximately 17 nm. The CeF₃ NPs were co-doped with PPO into epoxy resin and formed into a plastic scintillator of 3 cm in diameter and 2 cm in length. Analysis of …

Hybrid Path Planner For Centralized Multi-Robotic Long-Vehicle Based On Adaptive Dimensionality And Grey Wolf Algorithm, Noor Kadhim Ayoob, Ali Hadi Hasan

Karbala International Journal of Modern Science

The present robot planning methods pay no attention to the impact of the robot's size and the space it occupies in the environment on path planning. This paper presents a centralized hybrid method to plan optimal paths for multiple robotic long vehicles (RLVs) competing with each other to reach one common goal, taking into account the space that must be available to the RLV at each step to avoid narrow spaces that are too small to pass through. The environment analysis for each RLV is improved by assigning constant weight to the obstacles and calculating two new parameters: safety (SF) …

Influence Of Variable Climate On Mechanical Properties Of Composite Materials: An Experimental Study, Alexandra Tazhibaeva, Safaa M.R.H. Hussein, Mikhail Kuznetsov, Farid Shakirzyanov, Nikita Kharin, Igor Muravyev, Timur Agliullin, Gulshat Saleeva, Victor Mitryakin, Oleg Morozov, Oskar Sachenkov

Karbala International Journal of Modern Science

This study investigates the degradation of carbon fiber-reinforced plastic composites, fabricated via non-autoclave molding, under tropical climatic conditions across three regions over three years. Forty specimens (10 control, 30 exposed) with 2x2 twill weave and 0°/90° fiber orientation were subjected to tensile and compressive testing, microscopy, and X-ray computed tomography. Control specimens established baseline properties, while exposed specimens underwent three-year weathering. Statistical and principal component analyses revealed significant mechanical degradation, with tensile strength decreasing by up to 16.1% (p

Impact Of Plasma-Activated Water On Breast Cancer Cell Viability, Maryam G. Jasim, Hammad R. Humud

Karbala International Journal of Modern Science

Plasma-activated water (PAW) was generated using a dielectric barrier discharge (DBD) plasma system operating with a 1:1 mixture of nitrogen and argon gases to evaluate its cytotoxic effects on MCF-7 breast cancer cells. Water samples were divided into five groups: 0 minutes (control), 5, 10, 15, and 20 minutes of plasma exposure. The resulting PAW was applied to cultured cells, and cell viability was assessed 24- and 48-hour post-treatment. Viability was evaluated using the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay. The results showed an apparent time-dependent increase in cytotoxicity. At 24 hours, cell mortality rates were 1.9%, 40.7%, 48.1%, 53.6%, …

Bioelectrochemical Systems: Prioritizing Energy Density, Long-Term Stability, And Validation, Luana C.I. Faria, Steffane Q. Nascimento, Filipe C.D.A. Lima, Graziela C. Sedenho, Thiago Bertaglia, Rodrigo M. Iost, João C.P. De Souza, Senentxu Lanceros-Méndez, Shelley D. Minteer, Serge Cosnier, Ariel L. Furst, Frank N. Crespilho

Chemistry Faculty Research & Creative Works

Pioneering work in bioelectrochemistry, particularly the employing of yeast cells to generate electrical current, had substantially favored the comprehension of bio electrochemical reactions. This foundational research has boosted the development of bio electrochemical systems (BES), which are significant for sustainable energy solutions. BES technologies, such as biobatteries, bio supercapacitors, and enzymatic and microbial biofuel cells, harness organic and biological systems to provide environmentally friendly alternatives for energy storage and conversion. Despite their potential, these technologies face challenges in achieving competitive energy densities and long-term stability compared to traditional accumulators and converters. Here, we introduce a new Ragone plot for BES, …

Structural Evolution Of Nitrogenase Over 3 Billion Years, Bruno Cuevas Zuviría, Franka Detemple, Kaustubh Amritkar, Amanda K. Garcia, Lance Seefeldt, Betül Kaçar

Chemistry and Biochemistry Faculty Publications

Previously, we identified the only dinitrogen reduction mechanism known to date as an ancient feature conserved from nitrogenase ancestors, which we directly tested by resurrecting and integrating synthetic ancestral nitrogenases into the genome of Azotobacter vinelandii (Garcia et al., 2023), a genetically tractable, nitrogen-fixing model bacterium. Here, we extend this paleomolecular approach to investigate the structural evolution of nitrogenase over billions of years of evolution by combining phylogenetics, ancestral sequence reconstruction, protein crystallography, and deep-learning based predictions. This study reveals that nitrogenase, while maintaining a conserved multimeric core, evolved novel modular features aligned with major environmental transitions, suggesting that subtle …

An Adaptive Force Matching Potential For Alanine Developed With Møller-Plesset Perturbation Theory And Smooth Fourier Transform Correction Map, Ying Yuan, Feng Wang

Chemistry & Biochemistry Faculty Publications and Presentations

Developing accurate force fields for biomolecules remains a significant challenge due to the subtle energetic differences between various conformational states. We present a novel force field model for polyalanine, ALAMP2_25, developed using adaptive force matching (AFM) with M & oslash;ller-Plesset perturbation theory at the second order (MP2) as the reference method. By fitting smaller model compounds and transferring parameters to larger peptides, we overcome the limitations of traditional AFM approaches and enable the use of more accurate electronic structure methods. The ALAMP2_25 model incorporates a new correction scheme, Smooth Fourier Transform-based phi, psi correction map (SFT-CMAP), which efficiently describes phi, …

Controlling Properties Of Pmaa Multilayer Hydrogel Microparticles Through Network Structure, Daniel Inman

All ETDs from UAB

Advancements in the fabrication of “smart” stimuli responsive hydrogel microparti-cles have been pivotal in their optimization for applications. The responsiveness of hydro-gel networks to external stimuli enhances the intrinsic properties of hydrogels to increase functionality. Through layer-by-layer assembly, the internal composition, network struc-ture, and surface chemistry of multilayer hydrogels can be directly controlled to introduce new and unique properties. Applicable to a wide variety of shapes and sizes; hydrogel mi-croparticles are versatile for biological interactions, such as, cellular internalization, tissue regeneration, biosensors, and more. Thus, this dissertation will discuss the synthesis of shaped pH-responsive hydrogel microparticles and the investigation of …

Mechanistic Rationale For Toxic Aerosol Formation From Vaping And Dabbing With A Focus On Ketene Formation From Semi-Synthetic Cannabinoids, Kaelas Ryan Munger

Dissertations and Theses

Cannabis vaping is a relatively new route of administration that is increasingly common among youth and young adults. Cannabis vaping has been associated with cases of acute lung injury, especially among youth, and most often involves the heating and aerosolization of high-potency products having cannabinoid concentrations of ~ 50 % - 98 % w/w. Proponents argue that vaping is safer than smoking due to the characteristically lower temperatures and fewer plant materials. However, the extreme cannabinoid concentrations, along with non-natural formulations having undisclosed additives, require studies of the health effects of these products. Despite the popularity of cannabis concentrate vaping, …

Data From: Nek4 Suppresses Cell Proliferation In Bt20 Triple-Negative Breast Cancer Cells By Diminishing Expression Of Cell Cycle Genes, While Its Depletion Mitigates Proliferation In Other Cell Lines, Amanda Ashley

Chemistry & Biochemistry: Datasets

No abstract provided.

The Next Frontier In The Study Of Noncovalent Bonding: Transition Metals, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

As work continues unabated in the study of noncovalent bonding, particularly σ-hole bonds, new challenges have emerged as the participation of transition metals in interactions of this sort is fast becoming appreciated. While there are certain similarities with the halogen, chalcogen, etc, bonds, in which the main group elements participate, there are certain unique properties of these metal atoms that must be analyzed before a complete understanding can be attained. As one example, these atoms tend to act simultaneously as both electron donors and acceptors, a synergistic action that amplifies the overall bond strength. Ideas are expressed in this paper …

The Influence Of Defects: Oxidation Of Non-Planar Transition Metal Model Catalysts, Maxwell Gillum

Dissertations

Metal-catalyzed oxidation reactions are a major application of heterogeneous catalysis and are a widely applied synthetic route for the production of chemicals and reagents essential to modern society. However, as the intricacies of heterogeneous surface catalysis are slowly being unraveled, minute details of the catalytic environment have been revealed to play outsized roles in the catalytic activity of the surface. The experiments herein further investigate the interplay between surface geometry and the formation oxygen-induced surface structures. Understanding how defects influence surface reactivity is a necessary step in gaining the ability to accurately model heterogeneous catalytic environments. Two different aspects of …

Cysteine Oxidation Of A Redox Hub Within Complex I Can Facilitate Electron Transport Chain Supercomplex Formation, Runtai Chen, Seyed Amirhossein Tabatabaei Dakhili, Rokas Gerulskis, Yuan Yuan Zhao, Steven Lockhart, Lusine Tonoyan, Arno G. Siraki, Guocheng Huang, Adam Kinnaird, Darren H. Freed, Shelley D. Minteer, Evangelos D. Michelakis, John R. Ussher

Chemistry Faculty Research & Creative Works

The mitochondrial electron transport chain (ETC) is a four complex unit that could be considered the most essential infrastructure within the mitochondria, as it primarily functions to generate the mitochondrial membrane potential (ΔΨm), which can then be utilized for ATP synthesis or heat production. Another important aspect of ETC function is the generation of mitochondrial reactive oxygen species (mtROS), which are essential physiologic signaling mediators that can be toxic to the cell if their levels become too high. Currently, it remains unresolved how a highly utilized and functioning ETC can sense excessive mtROS generation and adapt, to enhance ΔΨm. Here, …

Comprehensive Review Of In Vitro Approaches For Environmental Heavy Metal Exposure, Manas Warke, Madeline English, Camila Padilla, Lexie Gasco, Wendy Leisner, Rupali Datta, Smitha Rao

Michigan Tech Publications

Heavy metals are ubiquitous environmental pollutants, contaminating air, soil, and water via the erosion of natural deposits, as well as originating from anthropogenic sources, such as agriculture, industries, transportation, and landfills. The increasing utilization of heavy metals over the years, combined with the persistent nature of metals in the environment poses a direct threat to human and environment health. Although regulatory limits have been established for toxic metals, assessing the associated health risks using real-life exposure scenarios remains challenging. In this review, we summarize the development and use of in vitro models based two- and three-dimensional cell culture systems, focusing …

Regioselective C-Allylation Of Indole With Potassium Allyltrifluoroborate In The Presence Of Pd-Catalyst, Milton Kumar Kundu

Tennessee State University Alumni Theses and Dissertations

Indole is a versatile heterocyclic scaffold renowned for its wide range of pharmacological activities and strong potential as a successful drug candidate. These attributes continue to inspire researchers to explore indole derivatives as promising leads in drug development. In this project, we report the development of a cross-coupling reaction of indoles and potassium allyltrifluoroborate to the corresponding 3-allylindoles in the presence of PdCl2(dtbpf) and PdCl2(dppf)CH2Cl2 catalyst under microwave heating, offering a rapid, regioselective, and high-yielding synthetic route. This methodology provides a valuable platform for generating structurally diverse indole-based compounds, which could serve as promising leads for further pharmacological evaluation and …

Root Exudates: The Rhizospheric Frontier For Advancing Sustainable Plant Protection, Muhammad Rahil Afzal, Misbah Naz, Youbo Yu, Lisha Yan, Peiyi Wang, Janaki Mohotti, Gefei Hao, Jing-Jiang Zhou, Zhou Chen, Libo Zhang, Qian Wang

Faculty Publications

Root exudates (REs), a diverse array of bioactive metabolites secreted by plant roots in response to environmental stimuli, serve as key mediators of rhizosphere ecology and plant defense responses, offering a promising avenue for sustainable pest management and eco-friendly plant protection. While earlier reviews primarily focus on root exudates in the context of general rhizosphere dynamics and plant-microbial interactions, critical knowledge gaps persist in REs-plant-pest tripartite interactions, the mechanistic basis of REs-mediated plant defense, and their practical integration with integrated pest management (IPM) frameworks. This review provides a synthesis of the latest literature on the biochemical diversity and functions of …

Quantification Of Terpenes In Various Commercial Cannabis Products By Gas Chromatography-Flame Ionization Detection And Gas Chromatography-Mass Spectrometry, Kaitlyn M. Ignaszak

Forensic Science Master's Projects

The goal of this research project was to identify and quantify the terpenes in five commercial cannabis products (dried bud, kief, two tinctures, and a pain cream) using gas chromatography-flame ionization detection (GC-FID) and gas chromatography-mass spectrometry (GC-MS). Terpene identification and quantification were conducted using GC-MS and GC-FID, with a standard sample containing 21 terpenes of known concentrations. To determine the most effective extraction conditions, three organic solvents (ethanol, acetonitrile, and ethyl acetate) were employed. Additionally, the effects of extraction time on terpene yield were investigated by analyzing aliquots collected at five different time intervals, ranging from one hour to …

Pd-Catalyzed Microwave Irradiated Cross-Coupling Of Carboxylic Acids And Amino Alcohols., Md Shahin Reza

Tennessee State University Alumni Theses and Dissertations

Amino esters are valuable pharmaceutical intermediates with anesthetic properties and applications as prodrugs. In this study, we have developed a new microwave-assisted method for the cross-coupling of aromatic carboxylic acids with amino alcohol using a palladium catalyst. This approach has enabled an efficient synthesis of amino esters, overcoming challenges such as side reactions and product separation.

The Role Of Water In Peptide Behavior And Peptide-Based Water-Responsive Crystals, Janel Jannette Rivera Cancel

Dissertations, Theses, and Capstone Projects

Water plays a crucial role in shaping the behavior and function of biomolecules across the liquid, supercooled, and glassy states. This thesis presents a dual approach combining computational simulations and experimental investigations to explore the influence of water on biomolecular systems, particularly peptide-based materials. We employ molecular dynamics simulations to study the hydration-dependent structural dynamics of homopolymer peptides. Simulations were carried out across a range of temperatures and pressures to analyze changes in hydration and structural stability, shedding light on the behavior of peptides under supercooled and glassy conditions. These studies are especially relevant for understanding biomolecular stability in cryopreservation. …

Linking Core Concepts And Competencies In General Chemistry Via Gowin’S Theory Of Learning And Vee Heuristic, Vijay Vyas, Scott A. Reid

Chemistry Faculty Research and Publications

The content in introductory science courses has often been criticized as “miles wide and inches deep”. In general chemistry, several revisions have focused on framing around a set of core or anchoring concepts, and we recently adapted the anchoring concepts content map (ACCM) of the American Chemical Society (ACS) to develop an anchoring concept-based curriculum for our general chemistry courses. In this article, we describe efforts to connect this curriculum with laboratory learning using Gowin’s theory of learning and the associated knowledge Vee heuristic. Within this framework, the laboratories themselves become events connecting the conceptual and methodological domains, …

Bodipy-Based Photocages For The Controlled Release Of Hydrogen Sulfide And Persulfides, Yanmei Li

Dissertations

Reactive sulfur species (RSS) such as hydrogen sulfide (H2S) and hydropersulfides (RSSH) are crucial mediators in a variety of physiological and pathological processes. Their regulatory roles span from maintaining cellular redox balance to influencing signaling pathways critical for homeostasis and stress responses. This dissertation investigates H2S and RSSH as biologically important molecules and explores the development of boron-dipyrromethene (BODIPY)-based photocages for its controlled, light-triggered release. Given H2S and RSSH's critical role in redox regulation and cellular protection, achieving spatiotemporal control over its delivery is essential for both therapeutic and research applications. BODIPY scaffolds offer favorable photophysical properties, including visible-light activation …

Development And Implementation Of Novel Mass Spectrometric Methods For Metabolism Studies In Drug Discoveries, Huifang Yao

Dissertations

The field of drug discovery has evolved significantly over the past few decades, with a growing emphasis on understanding the metabolic pathways and biotransformation processes that influence the pharmacokinetics and pharmacodynamics of drug candidates. Novel mass spectrometric methods have emerged as powerful tools in this domain, facilitating the comprehensive analysis of metabolic profiles and enabling the identification of metabolites with implications for safety, efficacy, and overall drug development. However, challenges remain in quantifying metabolic flux—an essential aspect of understanding drug action—particularly due to the limitations of traditional isotope kinetic assays, which often involve lengthy sample preparation and the use of …

Low-Cost Cutaneous Protoporphyrin Ix (Ppix) Detection (Cpd) Device For Follow-Up Monitoring Of Patients After Photodynamic Therapy, Md Asaduzzaman Rasel

Graduate Masters Theses

Background: Photodynamic Therapy (PDT) utilizes specific wavelengths of light to activate photosensitizing chemical compounds, known as photosensitizers, which induce the generation of cytotoxic reactive oxygen species (ROS) for the targeted destruction of cancer cells. Among various photosensitizers for PDT, Protoporphyrin IX (PpIX) is widely employed in oncology and dermatology due to its natural in situ generation via the metabolic conversion of 5- aminolevulinic acid (ALA), a non-phototoxic prodrug. Systemic administration of ALA after 3-6 hr drug delay leads to peak PpIX accumulation in tissues, facilitating therapeutic and diagnostic applications. However, PpIX can persist in the skin for 24–48 hours post-treatment, …

Effect Of Seasonal Variability In Methane Emissions And Iron Redox Chemistry At Terrestrial-Aquatic Interfaces, Hermes C. Ruiz

Master's Theses

Methane (CH₄) emissions at terrestrial–aquatic interfaces (TAIs) are significant contributors to the global carbon budget, yet the mechanisms driving methanogenesis remain poorly understood. Limited data exist on how seasonal variations and redox processes influence CH₄ fluxes in these dynamic ecosystems. This study addressed two questions: (1) How are CH₄ fluxes in riverine floodplains and adjacent hillslopes impacted by seasonal variations? (2) What roles do metal redox processes (e.g., iron (Fe)) play in regulating methanogenesis?

In-situ CH₄ flux and solid-phase Fe speciation were quantified in East River, CO, under flooded and drained conditions. Groundwater chemistry, gas flux, and soil physical properties …

Molecular Dynamics Simulations Of Liposomes: Structure, Dynamics, And Applications, Ehsan Khodadadi, Ehsaneh Khodadadi, Parth Chaturvedi, Mahmoud Moradi

Chemistry & Biochemistry Faculty Publications and Presentations

Liposomes are nanoscale, spherical vesicles composed of phospholipid bilayers, typically ranging from 50 to 200 nm in diameter. Their unique ability to encapsulate both hydrophilic and hydrophobic molecules makes them powerful nanocarriers for drug delivery, diagnostics, and vaccine formulations. Several FDA-approved formulations such as Doxil (R) (Baxter Healthcare Corporation, Deerfield, IL, USA), AmBisome (R) (Gilead Sciences, Inc., Foster City, CA, USA), and Onivyde (R) (Ipsen Biopharmaceuticals, Inc., Basking Ridge, NJ, USA) highlight their clinical significance. This review provides a comprehensive synthesis of how molecular dynamics (MD) simulations, particularly coarse-grained (CG) and atomistic approaches, advance our understanding of liposomal membranes. We …

Anionic Azo Dyes: Wastewater Pollutants As Functionalizing Agents For Porous Polycarbonate Membranes Aiding In Water Decolorization, Alan Jarrett Messinger, Isabella S. Mays, Brennon Craigo, Jeffrey Joering, Sean P. Mcbride

Physics Faculty Research

Efficient water decolorization techniques are vital for ensuring fresh water for future generations. Azo dyes are used heavily in the textile industry and are a challenge to remove from industrial wastewater. This research expands on recent innovative work where anionic azo dyes themselves were used to functionalize track-etched porous polycarbonate filtration membranes with decolorized water obtained as a byproduct. The objective of this research is to determine whether the observed dye rejection is dependent on the magnitude of the intrinsic charge of the dye molecule or on its structure, using two selectively chosen anionic azo dye series during functionalization. The …

Simulating Chemiluminescence Spectra Of Oh Radical Using Quantum Dynamical Simulations, Triet M. Cao

Research from the Berry Summer Thesis Institute, 2025

Chemiluminescence is a phenomenon of light emission that occurs when molecules transition from an excited state to the ground state. This phenomenon is widely utilized in applications ranging from quantifying product yields in chemical reactions to biological imaging and atmospheric chemistry studies. It has also been used in many crucial applications in the scarce conditions of heat and electricity, such as light sources for astronomy discovery or deep-sea diving. A notable example of such reactions is combustion, where highly reactive hydroxyl radicals (OH) are products. These radicals exhibit a chemiluminescence spectrum because of the interaction between their ground state and …

Behavioral Neuroscience Of Drug Addiction And Mental Disorder, Mona Muzammil, Muzammil Arshad, Washain Muzammil

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

This book explores the molecular, cellular, and neurocircuitry systems in the brain that are responsible for drug addiction. Common neurobiological elements are emphasized that provide novel insights into how the brain mediates the acute rewarding effects of drugs of abuse and how it changes during the transition from initial drug use to compulsive drug use and addiction. The book provides a detailed overview of the pathophysiology of the disease. The information provided will be useful for neuroscientists in the field of addiction, drug abuse treatment providers, and undergraduate and postgraduate students who are interested in learning the diverse effects of …

Milkfish (Chanos Chanos) Bones As A Biosorbent For Mercury (Ii) Contamination In Water, Seth Uriel K. Neri, Ethan Kyle Mangao, Christian Kevin F. Redoblado, Anthony Cesar Y. Ponce, Roby Boy P. Riego, Jupiter O. Yap

Sinaya: A Philippine Journal for Senior High School Teachers and Students

Heavy metals, such as mercury contamination in water sources are a major environmental and public health issue in many countries. Traditional methods for removing heavy metals from water are effective but often costly and unsustainable and may produce secondary waste. Recent trends favor more sustainable alternatives, such as biosorbents in treating water with heavy metals. Milkfish (Chanos chanos), a common fish in the Philippines, contains hydroxyapatite in the bones that can bind with heavy metals through physical and chemical adsorption mechanisms. This study aims to evaluate the mercury (II) reduction capacity of biosorbent derived from milkfish bones in water, specifically …

Tmco1 As An Endoplasmic Reticulum Calcium Load-Activated Channel: Mechanisms And Disease Implications, Jingbo Wang, Panpan Zhu, Zhuohang Li, Xiaohui Su, Mingzhu Qi, Aimin Zhou, Xiangying Kong

Chemistry Faculty Publications

Calcium ions (Ca2+) play a vital role in many biological processes. Transmembrane and coiled-coil domain 1 (TMCO1) has been characterized as an endoplasmic reticulum (ER) transmembrane protein in recent years. It keeps the cytoplasm and ER's Ca2+ homeostasis stable by acting as a novel calcium channel. Studies from different laboratories have revealed that the mutation or deficiency of TMCO1 is closely correlated with several diseases, including cerebro-facio-thoracic dysplasia (CFTD), glaucoma, premature ovarian failure (POF), osteoporosis, and cancer. Here, we review the characteristics of TMCO1 and its involvement in related diseases, which may provide useful information for developing therapeutic strategies for …