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Drug Targets Illumination: An Evidence-Based Data Analytics & Informatics Approach To Hypothesis Generation Through Clinical Trials And Genomic Variants, Jeremiah I. Abok Mar 2025

Drug Targets Illumination: An Evidence-Based Data Analytics & Informatics Approach To Hypothesis Generation Through Clinical Trials And Genomic Variants, Jeremiah I. Abok

Chemistry and Chemical Biology ETDs

DRUG TARGETS ILLUMINATION: AN EVIDENCE-BASED DATA ANALYTICS & INFORMATICS APPROACH TO HYPOTHESIS GENERATION THROUGH CLINICAL TRIALS AND GENOMIC VARIANTS

Target Illumination Clinical Trial Analytics with Cheminformatics (TICTAC) introduces a scalable data integration pipeline that aggregates multivariate clinical trial evidence to systematically rank disease–target associations. By harmonizing metadata from AACT and employing confidence-scoring techniques, TICTAC facilitates hypothesis-driven target selection for drug discovery, enabling a data-driven approach to therapeutic development. In parallel, a bioinformatics-driven analysis of gnomAD exome mutations in the ZPR1 gene highlights the broader role of genetic variants in disease association. By employing variant effect predictors, protein stability modeling, and …


Development, Optimization, And Validation Of A High-Sensitivity Capillary Zone Electrophoresis System For Bioanalytical Applications, Aaron I. Mena Mar 2025

Development, Optimization, And Validation Of A High-Sensitivity Capillary Zone Electrophoresis System For Bioanalytical Applications, Aaron I. Mena

Electronic Theses and Dissertations

Capillary zone electrophoresis (CZE) is a powerful analytical technique widely used for biomolecular separation due to its high resolution, efficiency, and sensitivity. This report presents the development and validation of a novel CZE system designed to improve modularity, reproducibility, and operational efficiency. The system integrates a laser-induced fluorescence (LIF) detection method with a 488 nm laser, enhanced fluid control through a negative pressure system, and a user-friendly GUI for automated operation and data acquisition. Performance verification included pressure stability tests, fluorescence accuracy assessments, and electrophoretic reproducibility studies. Comparative analysis with a previous CZE iteration confirmed improved baseline stability, peak resolution, …


An Alternative To Biliverdin, Mesobiliverdin Ixα And Mesobiliverdin-Enriched Microalgae: A Review On The Production And Applications Of Mesobiliverdin-Related Products, Naveena Poudyal, Jon Y. Takemoto, Yuan-Yu Lin, Cheng-Wei T. Chang Mar 2025

An Alternative To Biliverdin, Mesobiliverdin Ixα And Mesobiliverdin-Enriched Microalgae: A Review On The Production And Applications Of Mesobiliverdin-Related Products, Naveena Poudyal, Jon Y. Takemoto, Yuan-Yu Lin, Cheng-Wei T. Chang

Chemistry and Biochemistry Student Research

Despite attracting interest for decades due to its anti-inflammatory and antioxidant capabilities, the use of biliverdin IXα (BV) in medicine and agriculture is hampered by uncertain purity and limited availability. A significant amount of effort has been devoted to the production and application of BV, but with limited success. Mesobiliverdin IXα (MBV), a natural BV analog derived from microalgae, offers a path to overcome the limitations of BV. MBV production is scalable, and it can be obtained at high purity. MBV and BV share important structural features (e.g., bridging propionate groups) and both are substrates of biliverdin reductase A (BVRA), …


Phase Separation Clustering Of Poly Ubiquitin Cargos On Ternary Mixture Lipid Membranes By Synthetically Cross-Linked Ubiquitin Binder Peptides, Soojung Kim, Kamsy K. Okafor, Rina Tabuchi, Cedric Briones, Il Hyung Lee Mar 2025

Phase Separation Clustering Of Poly Ubiquitin Cargos On Ternary Mixture Lipid Membranes By Synthetically Cross-Linked Ubiquitin Binder Peptides, Soojung Kim, Kamsy K. Okafor, Rina Tabuchi, Cedric Briones, Il Hyung Lee

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

Ubiquitylation is involved in various physiological processes, such as signaling and vesicle trafficking, whereas ubiquitin (UB) is considered an important clinical target. The polymeric addition of UB enables cargo molecules to be recognized specifically by multivalent binding interactions with UB-binding proteins, which results in various downstream processes. Recently, protein condensate formation by ubiquitylated proteins has been reported in many independent UB processes, suggesting its potential role in governing the spatial organization of ubiquitylated cargo proteins. We created modular polymeric UB binding motifs and polymeric UB cargos by synthetic bioconjugation and protein purification. Giant unilamellar vesicles with lipid raft composition were …


Efforts To Improve General Chemistry Student Success: Describing Stoichiometry Solution Patterns And Investigating Challenge Perceptions, Dianna Kim Mar 2025

Efforts To Improve General Chemistry Student Success: Describing Stoichiometry Solution Patterns And Investigating Challenge Perceptions, Dianna Kim

USF Tampa Graduate Theses and Dissertations

There is a need for capable STEM graduates to fill needed STEM career gaps, particularly for people who have been historically under-represented in the STEM field (e.g., women, people of color, people of lower economic status, etc.). A course that have great impact would be General Chemistry which typically acts as a pre-requisite for manty STEM majors and careers. The efforts to be described in this thesis was conducted at a large, public doctoral granting university in the southeastern United States of America. The first effort described in this thesis explores how students solve different types of stoichiometry-based problems along …


Synthesis Of A Series Of Rare-Earth-Based Multi-Anion Chalcogenide Iodides Re3Si2SeXS8-XI (Re = La, Ce, Pr, And Nd) Using The Flux-Assisted Boron-Chalcogen Mixture Method, Gopabandhu Panigrahi, Habiba Binte Kashem, Gregory Morrison, Hans Conrad Zur Loye Mar 2025

Synthesis Of A Series Of Rare-Earth-Based Multi-Anion Chalcogenide Iodides Re3Si2SeXS8-XI (Re = La, Ce, Pr, And Nd) Using The Flux-Assisted Boron-Chalcogen Mixture Method, Gopabandhu Panigrahi, Habiba Binte Kashem, Gregory Morrison, Hans Conrad Zur Loye

Faculty Publications

Single crystals and polycrystalline powders of rare earth mixed chalcogenide iodides La3Si2Se1.21S6.79I, Ce3Si2Se1.39S6.61I, Pr3Si2Se1.22S6.78I, and Nd3Si2Se1.18S6.82I were prepared using the reactive flux-assisted boron-chalcogen mixture (BCM) method at 850 °C. All compounds crystallized in the monoclinic crystal system, space group C2/c (space group number 15). The series adopts the La3Si2O8Cl structure type, containing isolated SiQ4 tetrahedra connected by REQ8 (RE = La, Ce, Pr and Nd) polyhedra; this arrangement creates tunnels that are filled by I atoms. The partial substitution of S by Se was carried out to modulate the optical properties. Phase pure samples and uniform solid solutions were obtained …


Redefining The Limits Of Functional Continuity In The Early Evolution Of P-Loop Ntpases, Andrey O. Demkiv, Saacnicteh Toledo-Patiño, Encarnación Medina-Carmona, Andrej Berg, Gaspar P. Pinto, Antonietta Parracino, Jose M. Sanchez-Ruiz, Alvan C. Hengge, Paola Laurino, Liam M. Longo, Shina Caroline Lynn Kamerlin Mar 2025

Redefining The Limits Of Functional Continuity In The Early Evolution Of P-Loop Ntpases, Andrey O. Demkiv, Saacnicteh Toledo-Patiño, Encarnación Medina-Carmona, Andrej Berg, Gaspar P. Pinto, Antonietta Parracino, Jose M. Sanchez-Ruiz, Alvan C. Hengge, Paola Laurino, Liam M. Longo, Shina Caroline Lynn Kamerlin

Chemistry and Biochemistry Faculty Publications

At the heart of many nucleoside triphosphatases is a conserved phosphate-binding sequence motif. A current model of early enzyme evolution proposes that this six to eight residue motif could have sparked the emergence of the very first nucleoside triphosphatases—a striking example of evolutionary continuity from simple beginnings, if true. To test this provocative model, seven disembodied Walker A-derived peptides were extensively computationally characterized. Although dynamic flickers of nest-like conformations were observed, significant structural similarity between the situated peptide and its disembodied counterpart was not detected. Simulations suggest that phosphate binding is nonspecific, with a preference for GTP over orthophosphate. Control …


Overexpression And Biophysical And Functional Characterization Of A Recombinant Fgf21, Phuc Phan, Jason Hoang, Thallapuranam Krishnaswamy Suresh Kumar Mar 2025

Overexpression And Biophysical And Functional Characterization Of A Recombinant Fgf21, Phuc Phan, Jason Hoang, Thallapuranam Krishnaswamy Suresh Kumar

Chemistry & Biochemistry Faculty Publications and Presentations

Fibroblast growth factor 21 (FGF21) is an endocrine FGF that plays a vital role in regulating essential metabolic pathways. FGF21 increases glucose uptake by cells, promotes fatty acid oxidation, reduces blood glucose levels, and alleviates metabolic diseases. However, detailed studies on its stability and biophysical characteristics have not been reported. Herein, we present the overexpression, biophysical characterization, and metabolic activity of a soluble recombinant FGF21 (rFGF21). The far-UV circular dichroism spectra of rFGF21 show a negative trough at 215 nm, indicating that the protein's backbone predominantly adopts a 13 sheet conformation. rFGF21 shows intrinsic tyrosine fluorescence at 305 nm. Thermal …


A Comparison Of Unconventional Microwave And Ultrasound-Assisted Extraction Methods Used For Flavonoids, Istiqomah Rahmawati, Daffa Hafiziaulhaq Azizi, Jihan Nafila Wibowo, Muhammad Reza, Boy Arief Fachri, Bekti Palupi, Meta Fitri Rizkiana, Helda Wika Amini, Ifan Ramadana, Felix Arie Setiawan Mar 2025

A Comparison Of Unconventional Microwave And Ultrasound-Assisted Extraction Methods Used For Flavonoids, Istiqomah Rahmawati, Daffa Hafiziaulhaq Azizi, Jihan Nafila Wibowo, Muhammad Reza, Boy Arief Fachri, Bekti Palupi, Meta Fitri Rizkiana, Helda Wika Amini, Ifan Ramadana, Felix Arie Setiawan

Makara Journal of Science

Cocoa pods (Theobroma cacao L.) are a rich source of flavonoids, which are natural antioxidants known for their health benefits. This study investigated the use of microwave-assisted extraction (MAE) and ultrasound-assisted ex-traction (UAE) to extract the maximum flavonoids and antioxidants from cocoa pods. MAE and UAE are efficient and sustainable methods for extracting bioactive compounds like flavonoids and antioxidants from cocoa pods, offer-ing faster extraction, reduced solvent use, and better compound preservation compared to conventional methods. These technologies unlock the untapped potential of cocoa pods for applications in food, cosmetics, and pharmaceuti-cals. The effects of extraction time (2–10 min), microwave …


Energy-Aware Clustering Using Intelligent Scheme For Heterogeneous Wireless Sensor Networks, Enaam A. Al-Hussain, Ghaida A. Al-Suhail Mar 2025

Energy-Aware Clustering Using Intelligent Scheme For Heterogeneous Wireless Sensor Networks, Enaam A. Al-Hussain, Ghaida A. Al-Suhail

Karbala International Journal of Modern Science

Heterogeneous Wireless Sensor Networks (WSNs) involve nodes with varying capabilities, such as different energy levels, sensing ranges, and computational abilities, which enable them to execute different tasks professionally. Clustering techniques play a crucial role in improving energy efficiency and reliability in WSNs. The evolution of cluster based WSNs from homogeneous into heterogeneous techniques allowed the deployment of smart devices capable of performing complex operations in in diverse environments. However, the heterogeneity of nodes necessitates more sophisticated and adaptive algorithms to fully exploit these capabilities. This paper proposes a new protocol, referred to as IT2F-HLEACH, which integrates Interval Type-2 Fuzzy Logic …


Conformational Free Energy Landscape Of A Glutamate Transporter And Microscopic Details Of Its Transport Mechanism, Sundar Thangapandian, Ashkan Fakharzadeh, Mahmoud Moradi, Emad Tajkhorshid Mar 2025

Conformational Free Energy Landscape Of A Glutamate Transporter And Microscopic Details Of Its Transport Mechanism, Sundar Thangapandian, Ashkan Fakharzadeh, Mahmoud Moradi, Emad Tajkhorshid

Chemistry & Biochemistry Faculty Publications and Presentations

Removing glutamate from the synaptic cleft is vital for proper function of the brain. Excitatory amino acid transporters mediate this process by uptaking the neurotransmitter from the synaptic cleft back to the cell after its release. The archaeal homolog, GltPh, an aspartate transporter from Pyrococcus horikoshii, presents the best structurally characterized model for this family of transporters. In order to transport, GltPh undergoes elevator-like conformational changes between inward-facing (IF) and outward-facing (OF) states. Here, we characterize, at an atomic level, the OF=+/- IF transition of GltPh in different apo/bound states using a combination of ensemble-based enhanced sampling techniques, employing more …


Effect Of Niobium Dopant On Zno Thin Films Prepared Via The Sol–Gel Spin Coating Method, Kevin Alvin Eswar, Nur Fairuz Rostan, Maryam Mohamad, Rabiatuladawiyah Md Akhir, Rosfayanti Rasmidi, Muliyadi Guliling, Najwa Ezira Azhar, Irmaizatussyehdany Buniyamin, Mohd Firdaus Malek, Mohamad Rusop Mahmood, Husairi Fadzilah Suhaimi, Saifollah Abdullah Mar 2025

Effect Of Niobium Dopant On Zno Thin Films Prepared Via The Sol–Gel Spin Coating Method, Kevin Alvin Eswar, Nur Fairuz Rostan, Maryam Mohamad, Rabiatuladawiyah Md Akhir, Rosfayanti Rasmidi, Muliyadi Guliling, Najwa Ezira Azhar, Irmaizatussyehdany Buniyamin, Mohd Firdaus Malek, Mohamad Rusop Mahmood, Husairi Fadzilah Suhaimi, Saifollah Abdullah

Makara Journal of Science

Thin films of zinc oxide (ZnO) and niobium (Nb)-doped ZnO were deposited on a glass substrate using the sol–gel spin coating method. Diethanolamine, isopropyl alcohol, and zinc acetate served as the stabilizers, solvent, and starting ma-terial, respectively. Niobium pentachloride was employed as the dopant source. Energy-dispersive X-ray analysis con-firmed Nb incorporation. Field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), and ultravio-let–visible spectroscopy (UV–Vis) analyses characterized the morphology, structure, and optics of the films, respective-ly. Both films, comprising nanoparticles, were visible in FESEM. Nb doping reduced the particle size from 44.2 nm to 35.8 nm. The XRD peaks at 31.23°, …


Solid-State Crystallization Of Zeolites And Their Use In Plastic Upcycling Applications, Yixin Liao Mar 2025

Solid-State Crystallization Of Zeolites And Their Use In Plastic Upcycling Applications, Yixin Liao

Doctoral Dissertations

Plastics have been an irreplaceable component of modern technology as well as everyday life. They have brought much convenience to us with their characteristics of great malleability, durability, and stability. The versatile and low-cost nature of plastics also enables their wide engagement in many modern industries including automobile, medical, communication as well as aerospace. Polyethylene (“PE”), made from polymerization of ethylene, is one of the most widely used plastics in the world. Being cheap, flexible, and long-lasting, they are extensively used in the packaging industry, especially for plastic bags and other sorts of containers. However, the durability of plastics, on …


Photo-Enhanced Output In Memdiode Devices Based On Hybrid Materials Open Access, Jacob Lee, Prabir Patra, Judy Fan Mar 2025

Photo-Enhanced Output In Memdiode Devices Based On Hybrid Materials Open Access, Jacob Lee, Prabir Patra, Judy Fan

Physics Faculty Research

The discovery of photo-enhanced outputs in the fabricated memdiodes based on metal halide-embedded polymeric hybrid composites has meaningful and practical implications. The two-terminal devices exhibit typical rectifying characteristics, similar to a standard pn junction diode, with unusual photo-enhanced charge transportation and hysteresis behaviors. The MDs consist of an active layer of blended organic–inorganic hybrid material [a mixture of CuCl2 and polyethylene glycol (PEG)] deposited on a layer of pure polymer (polymethyl methacrylate) and, in turn, on a rigid substrate (ITO glass or Si wafer). It is found that the photoinduced current increases hundreds of times in magnitude on the ITO …


Thermal Stability Analysis Of Aqueous Ionic Amines For Sustainable Co2 Capture, Li Hua Zang, Keegan Everitt, Kevin West, Brooks D. Rabideau, Breanna Dobyns, James Davis Mar 2025

Thermal Stability Analysis Of Aqueous Ionic Amines For Sustainable Co2 Capture, Li Hua Zang, Keegan Everitt, Kevin West, Brooks D. Rabideau, Breanna Dobyns, James Davis

Shelby Hall Graduate Research Forum Posters

In closed air cabin atmospheres such as those of spacecraft, CO₂ accumulation jeopardizes crew respiratory function and may gradually affect sensitive equipment, making effective air revitalization critical. Traditional CO₂ capture methods like monoethanolamine (MEA) efficiently capture CO₂ but suffer from high volatility, leading to solvent loss and unpleasant odor, as well as corrosion and degradation, requiring frequent replacement. These flaws demand eco-friendly, durable alternatives. This study addresses these limitations by exploring a series of aqueous ionic amines (AIAs), salts similar to MEA in CO₂ capture efficiency but with improved thermal stability—crucial for preventing degradation under high regeneration temperatures and prolonged …


Effect Of Pre-Adsorbed Species On High-Pressure Adsorption Of Methane In Zeolite 5a Using Grand Canonical Monte Carlo (Gcmc) Simulations, Kanhamardi Lao, Brooks D. Rabideau Mar 2025

Effect Of Pre-Adsorbed Species On High-Pressure Adsorption Of Methane In Zeolite 5a Using Grand Canonical Monte Carlo (Gcmc) Simulations, Kanhamardi Lao, Brooks D. Rabideau

Shelby Hall Graduate Research Forum Posters

Natural gas upgrading, which removes impurities from methane (CH4), is essential for industrial applications, including liquefied natural gas (LNG) production and power generation, as well as for residential use. Removing non-hydrocarbon impurities such as carbon dioxide (CO2), nitrogen (N2), and water vapor (H2O), among others, along with separating heavier hydrocarbon gases from raw natural gas, is required to achieve high- purity methane and prevent pipeline corrosion. Zeolite 5A is a microporous aluminosilicate material with a pore size of approximately 5 Å, containing sodium and calcium cations that balance the framework’s negative charge. Its structure offers high thermal stability and a …


Refining Chlorosulfonation Methods For The Synthesis Of A Perfluoroalkyl Arylsulfonimide (Pfsi) Monomer, Ainsley P. Foster, Ben Varney, Hua Mei Mar 2025

Refining Chlorosulfonation Methods For The Synthesis Of A Perfluoroalkyl Arylsulfonimide (Pfsi) Monomer, Ainsley P. Foster, Ben Varney, Hua Mei

SPARK Symposium Presentations

Proton-exchange membrane (PEM) fuel cells are sources of energy that are clean, quiet, and highly responsive to changes in power needs, making them promising for use in automobiles and other portable power devices. The electrolyte of a PEM cell–the layer responsible for conductivity–is a polymer membrane, commonly consisting of perfluoroalkyl sulfonic acid (PFSA) polymers. In place of the PFSA polymers, perfluoroalkyl arylsulfonimide (PFSI) polymers are expected to improve the efficiency of PEM fuel cells with better stability and proton conductivity. The trifluovinylether (TFVE) aryl perfluorosulfonamide monomer is a new PFSI monomer proposed to fulfill these benefits once polymerized. The previous …


Evaluating Dry Air Personnel Decontamination Of Methyl Salicylate As A Chemical Agent Surrogate In Extreme Cold Environments To Reduce Airborne Risks Using A Manikin, Lance E. Campbell Mar 2025

Evaluating Dry Air Personnel Decontamination Of Methyl Salicylate As A Chemical Agent Surrogate In Extreme Cold Environments To Reduce Airborne Risks Using A Manikin, Lance E. Campbell

Theses and Dissertations

This research investigated a mobile air shower as an alternative to water washing for personnel chemical decontamination in Arctic environments, where traditional methods like disrobing and rinsing are impractical. Interest in Arctic operations has grown with recent U.S. military focus on strategic advancements by Russia and China, yet research on air shower effectiveness for chemical decontamination remains limited. This study examined whether a commercial off-the-shelf air shower could effectively decontaminate methyl salicylate (MES), a surrogate for chemical warfare blister agents, from a manikin outfitted in military cold-weather gear. Researchers used a ppbRAE 3000 photo-ionization detector to measure MES concentrations following …


Molecular Scale Investigations Of Interactions Between Pfas And Concrete, Eric E. Keeler Mar 2025

Molecular Scale Investigations Of Interactions Between Pfas And Concrete, Eric E. Keeler

Theses and Dissertations

Per- and polyfluoroalkyl substances (PFAS), widely referred to as “forever chemicals,” exhibit high environmental persistence and potential health risks due to their robust carbon-fluorine bonds. These substances are prevalent in aqueous film-forming foams (AFFF), used in industrial and military applications, and are known to contaminate environmental surfaces, including concrete. This study aims to characterize the molecular-level interaction energies of six PFAS species—PFOA, PFOS, PFHxS, PFHxA, 6:2 FTS, and PFBS—with calcium silicate, a key component of concrete, using density functional theory (DFT) calculations. Change in Gibbs free energy (ΔG) was determined for each of the interactions, revealing negative ΔG values for …


Atmospheric Water Generation: Bacterial And Inorganic Chemical Quality, Garrett E. Stanley Mar 2025

Atmospheric Water Generation: Bacterial And Inorganic Chemical Quality, Garrett E. Stanley

Theses and Dissertations

This study investigated the quality of untreated water collected from a vapor compression-based atmospheric water generator (AWG) operated outdoors in Dayton, Ohio. The concentrations of bacterial and chemical constituents were determined. The concentration of culturable bacteria was between 200 and 2300 CFU/mL, significantly higher than the reference levels described in recreational and drinking water quality guidance. Three discrete bacteria phenotypes were visually identified; two were yellow in color, rod-shaped and gram-negative while the third was milky white, circular, and gram-positive. Chemical analysis on 15 randomly selected samples revealed the presence of Barium (average = 0.16 mg/L), Magnesium (0.08 = mg/L), …


Air-Based Chemical Patient Decontamination Methodologies For Arctic Regions Using Methly Salicylate As A Chemical Agent Surrogate On A Litter-Bound Manikin, Marcus D. Shadd Mar 2025

Air-Based Chemical Patient Decontamination Methodologies For Arctic Regions Using Methly Salicylate As A Chemical Agent Surrogate On A Litter-Bound Manikin, Marcus D. Shadd

Theses and Dissertations

This study evaluated a mobile air shower for patient decontamination without disrobing or rinsing, an alternative for Arctic conditions where water is scarce. A manikin in extreme cold weather gear was exposed to 10 µL of methyl salicylate (MeS), a sulfur mustard surrogate, and placed in a horizontal chamber on a military litter. Airborne MeS was measured using a ppbRAE 3000 detector to assess inhalation risk for the patient and decontamination team. Three methods were tested: an air-knife system, paper towels, and no decontamination, with 10 trials each (30 total). ANOVA analysis showed significant reductions in airborne MeS with air-knife …


Metal Nitrides As Cathode Hosts For Lithium-Sulfur Batteries, Hai-Ji Xiong, Cheng-Wei Zhu, Ding-Rong Deng, Qi-Hui Wu Feb 2025

Metal Nitrides As Cathode Hosts For Lithium-Sulfur Batteries, Hai-Ji Xiong, Cheng-Wei Zhu, Ding-Rong Deng, Qi-Hui Wu

Journal of Electrochemistry

Lithium-sulfur batteries are considered as one of the potential solutions as integrating renewable energy systems for large-scale energy storage because of their high theoretical energy density (2600 Wh·kg–1) and specific capacity (1675 mAh·g–1). Currently, various strategies have been proposed to overcome the technical barriers, e.g., “shuttle effect”, capacity decay and volumetric change, which impede the successful commercialization of lithium-sulfur batteries. This paper reviews the applications of metal nitrides as the cathode hosts for high-performance lithium-sulfur batteries, summarizes the design strategies of different host materials, and discusses the relationship between the properties of metal nitrides and their …


Sno2 Particles Embedded Into Carbon Coated Mesoporous SioX Rod As High Volumetric Capacity Anode For Lithium-Ion Batteries, Jia-Lin Guo, Ni-Ni Li, Peng Zheng Feb 2025

Sno2 Particles Embedded Into Carbon Coated Mesoporous SioX Rod As High Volumetric Capacity Anode For Lithium-Ion Batteries, Jia-Lin Guo, Ni-Ni Li, Peng Zheng

Journal of Electrochemistry

Due to the high capacity and moderate volume expansion of silicon protoxide SiOx (160%) compared with that of Si (300%), reducing silicon dioxide SiO2 into SiOx while maintaining its special nano-morphology makes it attractive as an anode of Li-ion batteries. Herein, through a one-pot facile high-temperature annealing route, using SBA15 as the silicon source, and embedding tin dioxide SnO2 particles into carbon coated SiOx, the mesoporous SiOx-SnO2@C rod composite was prepared and tested as the anode material. The results revealed that the SnO2 particles were distributed uniformly in the …


Enhancing Cycle Life Of Graphite ‖ Lifepo4 Batteries Via Copper Substituted Li2Ni1-XCuXO2 Cathode Prelithiation Additive, Jian-Ming Zheng, Jing-Wen Zhang, Tian-Peng Jiao Feb 2025

Enhancing Cycle Life Of Graphite ‖ Lifepo4 Batteries Via Copper Substituted Li2Ni1-XCuXO2 Cathode Prelithiation Additive, Jian-Ming Zheng, Jing-Wen Zhang, Tian-Peng Jiao

Journal of Electrochemistry

Lithium nickel oxide (Li2NiO2), as a sacrificial cathode prelithiation additive, has been used to compensate for the lithium loss for improving the lifespan of lithium-ion batteries (LIBs). However, high-cost Li2NiO2 suffers from inferior delithiation kinetics during the first cycle. Herein, we investigate the effects of the cost-effective Cu substitution of Li2Ni1-xCuxO2 (x = 0, 0.2, 0.3, 0.5, 0.7) synthesized by high-temperature solid-phase method on the structure, morphology, electrochemical performance of graphite‖LiFePO4 battery. The X-ray Diffraction (XRD) refinement result demonstrates that Cu substitution strategy is favorable …


Terminator: A Software Package For Fast And Local Optimization Of His-Tag Placement For Protein Affinity Purification, Rokas Gerulskis, Shelley D. Minteer Feb 2025

Terminator: A Software Package For Fast And Local Optimization Of His-Tag Placement For Protein Affinity Purification, Rokas Gerulskis, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

Although the use of affinity tags can greatly improve purification of expressed enzymes, the placement of affinity tags can significantly impact the expression, solubility, and function of recombinant proteins. To facilitate the optimal design of 6xHis-tagged constructs for protein purification, we developed Terminator, a Python-based software package, which takes a UniProt ID or existing protein sequence as input, identifies related sequences, maps sequence conservation retrieved from ConSurf onto protein 3D structures retrieved from the PDB and SWISS-MODEL, and analyzes proximity to cavities and functional sites to recommend the N- or C-terminus for placement of 6xHis fusion tags 86-100% accuracy in …


An Overview Of Sodium-Ion Batteries As Next-Generation Sustainable Electrochemicaldevices Beyond The Traditional Lithium-Ion Framework, Gamzenur Özsi̇n Feb 2025

An Overview Of Sodium-Ion Batteries As Next-Generation Sustainable Electrochemicaldevices Beyond The Traditional Lithium-Ion Framework, Gamzenur Özsi̇n

Turkish Journal of Chemistry

The rise in the popularity of electric vehicles and portable devices has boosted the demand for rechargeable batteries, withlithium-ion (Li-ion) batteries favored for their superior energy and power density. However, supply strains and sustainability issues aredriving the search for alternatives. Postlithium technologies, particularly sodium-ion (Na-ion) batteries, are gaining attention for theirpromising potential and similarity to Li-ion technology. While efforts are still needed to enhance the energy and power density as wellas the cycle life of Na-ion batteries to replace Li-ion batteries, these energy storage devices present significant advantages in terms ofsustainability, theoretical capacity, and intrinsic safety features. Through this paper, …


A Hindered Phenol Containing Pvc/Cuo Nanocomposites; Study On The Mechanical And Thermooxidative Properties, Mohsen Hajibeygi, Alireza Ghasemi Feb 2025

A Hindered Phenol Containing Pvc/Cuo Nanocomposites; Study On The Mechanical And Thermooxidative Properties, Mohsen Hajibeygi, Alireza Ghasemi

Turkish Journal of Chemistry

The effect of synthesized 5-((4-hydroxy-3,5-di-tert-butylphenyl)diazenyl)isophthalic acid (HBA) containing a hinderedphenol derivative on the thermooxidation, hydrochloric acid release time, and mechanical strength of PVC/CuO nanocompositeswas studied. Moreover, 5-((4-hydroxy-2,5-dimethylphenyl)diazenyl)isophthalic acid (HMA) was synthesized for comparison ofcorresponding PVC nanocomposite properties. PVC nanocomposite thin films were prepared through in situ surface modificationof CuO nanoparticles with HBA and HMA, individually, in the PVC solution. The XRD and FE-SEM results clarified the desirabledispersion of CuO nanoparticles. The PVC sample with loading of 5 wt% from each HBA and CuO was found to be the most thermallystable, which was confirmed by thermogravimetric analysis in inert conditions. The …


Platinum Group Metal (Pgm) Free Multi Metallic Nanomaterial: A Potential Electrocatalyst For Ethanol Oxidation, Susmita Singh, Prodipta Pal, Soumik Roy, Shalini Basak, Prantica Saha, Anushna Dutta, Sinthia Saha, Mainak Bose Feb 2025

Platinum Group Metal (Pgm) Free Multi Metallic Nanomaterial: A Potential Electrocatalyst For Ethanol Oxidation, Susmita Singh, Prodipta Pal, Soumik Roy, Shalini Basak, Prantica Saha, Anushna Dutta, Sinthia Saha, Mainak Bose

Turkish Journal of Chemistry

Comprehensive studies of the ethanol oxidation reaction (EOR) have shown high interest in fuel cell technologies. As anodecatalysts, introducing platinum group metal (PGM) free catalyst is promising for higher catalytic activity towards the EOR, as these arecost-effective, pollution-tolerant, and suitable for sustainable energy conversion. In this investigation, multi walled carbon nanotube(MWCNT) supported PGM-free electrocatalysts are synthesized by the impregnation reduction method. The atomic structure,composition, and morphology of nanoalloy catalysts are discovered through X-ray diffraction (XRD), Raman spectroscopy and fourier-transform infrared (FTIR) spectroscopy techniques. Electrochemical behaviours have been analysed by cyclic voltammetry (CV), linearsweep voltammetry (LSV), Chronoamperometry (CA), and electrochemical impedance …


Nonadhesive Membranes: Preparation And Characterization Of Modified Phbhx Membranes, Funda Alkan, Murat Demi̇rbi̇lek, Oktay Aydin, Berrak Gümüşkaya Öcal, Neli̇sa Laçi̇n Türkoğlu, Mustafa Türk, Mehmet Ali̇ Onur Feb 2025

Nonadhesive Membranes: Preparation And Characterization Of Modified Phbhx Membranes, Funda Alkan, Murat Demi̇rbi̇lek, Oktay Aydin, Berrak Gümüşkaya Öcal, Neli̇sa Laçi̇n Türkoğlu, Mustafa Türk, Mehmet Ali̇ Onur

Turkish Journal of Chemistry

After abdominal surgery, there is a possibility of adhesions between the abdominal organs and the abdominal wall. Theadhesions can lead to problems such as chronic pain, intestinal blockage, and infertility. To prevent adhesion, antiadhesion patchescan be used. In this study, poly hydroxybutyrate-co-hexanoate membranes were fabricated as antiadhesion patches and modified witheither fatty acids or polyethylene glycol. The homogeneity and protein absorption of the membranes were assessed. The effects onblood coagulation factors were determined and the adhesion-proliferation properties of human fibroblast cells on the membranes weredetermined. The results show that myristic acid slightly increases surface free energy (40.7 ± 4.2 mN/m), …


Preparation And Characterization Of Rhfe/G-C3n4 Nanoparticles For Efficient Hydrolysis Of Sodium Borohydride, Merve Uçar Kaya, Mehmet Yurderi̇, Mehmet Zahmakiran Feb 2025

Preparation And Characterization Of Rhfe/G-C3n4 Nanoparticles For Efficient Hydrolysis Of Sodium Borohydride, Merve Uçar Kaya, Mehmet Yurderi̇, Mehmet Zahmakiran

Turkish Journal of Chemistry

Highly effective graphitic carbon nitride-supported RhFe Nanoparticles (denoted as RhFe/g-C3N4) were prepared using a simple wet impregnation-reduction method for the hydrolysis of sodium borohydride (NaBH4). The obtained RhFe/g-C3N4 catalyst was characterized using advanced analytical/spectroscopic techniques such as inductively coupled plasma-optical emission spectroscopy (ICP-OES), scanning electron microscopy (SEM), transmission electron microscopy (TEM), Powder X-ray diffraction (P-XRD), X-ray spectroscopy (XPS), and fourier transform infrared spectroscopy (FT-IR). The catalytic activities of RhFe/g-C3N4 catalysts with varying Rh/Fe molar ratios were investigated, demonstrating superior catalytic activity compared to monometallic Rh and Fe. The initial turnover frequency (TOF) value of the Rh0.48Fe0.52/g-C3N4 catalyst was calculated as …