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An Efficient Approximation To The Vibrational Coupled Cluster Method For Large Molecules, Nivedhitha P Ms Apr 2026

An Efficient Approximation To The Vibrational Coupled Cluster Method For Large Molecules, Nivedhitha P Ms

Theses and Dissertations

The Watson Hamiltonian is a widely used model for describing anharmonic vibrational motion in polyatomic molecules. It expresses the kinetic energy in separable dimensionless normal coordinates and represents the potential energy as a Taylor series expansion around the equilibrium geometry, usually up to the quartic approximation. Several computational methods have been developed to solve the corresponding vibrational Schrödinger equation for predicting infrared (IR), Raman, and vibrational circular dichroism (VCD) spectra. These include the Vibrational Self-Consistent Field (VSCF) method, Vibrational Configuration Interaction (VCI) and its approximations, and Vibrational Second-Order Perturbation Theory (VPT2), each providing different balances between computational cost and accuracy. …

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Dna Barcoding Of Eight Freshwater Fish Species (Order Siluriformes) From The River Ravi, Pakistan, Hafiz Muhammad Ashraf, Hafiz Abdullah Shakir, Muhammad Irfan, Shaukat Ali, Chaman Ara, Noor Khan, Muhammad Khan, Abdul Qadir, Muhammad Zafar Saleem Apr 2026

Dna Barcoding Of Eight Freshwater Fish Species (Order Siluriformes) From The River Ravi, Pakistan, Hafiz Muhammad Ashraf, Hafiz Abdullah Shakir, Muhammad Irfan, Shaukat Ali, Chaman Ara, Noor Khan, Muhammad Khan, Abdul Qadir, Muhammad Zafar Saleem

Karbala International Journal of Modern Science

Pakistan's freshwater bodies host significant fish species, but molecular identification is still in its infancy, necessitating the use of morphological and molecular DNA barcoding techniques. The study confirmed the species of the order Siluriformes found in the River Ravi, Pakistan, using DNA extracted from muscle tissue, sequenced for the COI gene, and obtained accession and Barcode Index Numbers from GenBank and BOLD databases. In the BLAST search, identities ranged from 99.23–100% and 99.52–100% in the GenBank and BOLD databases, respectively. The study revealed that the Kimura 2-Parameter genetic distance increased from lower to higher taxonomic levels: within species (0.00%) < within genus (15.17%) < within family (19.77%). The study estimated average nucleotide differences (104.964) and nucleotide diversity (0.16099) but found Tajima's neutrality test to be statistically insignificant. The neighbor-joining tree displayed closely linked species under a node, whereas divergent species were grouped under distinct nodes. The COI gene-based DNA barcoding aids in Pakistan's fish resource inventory, monitoring, and management, providing valuable input for traditional methods.

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Eco-Assisted Ultrasonic Synthesis, Characterization, And Electrical Conductivity Study Of Polyaniline/ Silica@Fe3o4 Q1 Nanocomposites, Ali Salim Shaway, Kholoud Dham Khamkheem, Jawad Kadhim Abaies, Athra G. Sager Apr 2026

Eco-Assisted Ultrasonic Synthesis, Characterization, And Electrical Conductivity Study Of Polyaniline/ Silica@Fe3o4 Q1 Nanocomposites, Ali Salim Shaway, Kholoud Dham Khamkheem, Jawad Kadhim Abaies, Athra G. Sager

Karbala International Journal of Modern Science

وفي هذه الدراسة الصوتية، أصبحت السيليكا المُنتجة بأكسيد الحديد (Fe₃O₄) ومركبات نانوية قائمة على البولي أنيلين مُطعّم بنسبة 5-15% من السيليكا المُعزز للحديد (Fe₃O₄). وأكملت نهائيا ماء أنيلين والمركبات العلمية المتنوعة الارتباط باستخدام تقنيات FT-IR وUV-Vis وXRD وSEM وTEM. وأحدثت نتائج XRD أن حجم جسيمات البولينج أنيلين الناي (PANI) يبلغ 55.5. مكثف هذا الحجم إلى 45.2 عند تطعيم بولي أنيلين بنسبة 15% وزناً من السيليكا المُغلفة بأكسيد الحديد (Fe₃O₄) مُحضّرة بطريقة جيدة بشكل جيد، مما يميل إلى التمدد بشكل ثابت في تشكيل المركب المتباين المنظم. ضاقت النطاق البصري من 3.2 إلى 2.5 إلكترون فولت مع زيادة نسبة المطعّم، مما يشير …

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Monitoring Of Dissolved Calcium Levels In Creeks, Embayment, And Kentucky Lake Waters In Western Kentucky, Majeda Dalloul Apr 2026

Monitoring Of Dissolved Calcium Levels In Creeks, Embayment, And Kentucky Lake Waters In Western Kentucky, Majeda Dalloul

Scholars Week

In order to reduce the economic and ecological impacts of aquatic alien species, studies are warranted across major taxonomic groups, geographic regions, and habitat types. This study addressed the dissolved calcium levels in Kentucky Lake and their implications for one of the top-ranked invasive species, the zebra mussel, and its colonization.  Zebra mussels (Dreissena polymorpha) are well known for their “biofouling” capabilities, costing billions of dollars (for northeastern and midwestern states) in their removal from industrial, public, and power plant water supply lines. Calcium is one of the essential elements that contribute to the growth and reproduction of zebra …

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Synthesis And Hydrothermal Evaluation Of Poly(Styrene Phosphonate) For Conformance Control In Geothermal Reservoirs, Sara Mccauley Apr 2026

Synthesis And Hydrothermal Evaluation Of Poly(Styrene Phosphonate) For Conformance Control In Geothermal Reservoirs, Sara Mccauley

Miners Solving for Tomorrow Research Conference

As atmospheric carbon dioxide levels continue to rise, geothermal energy has emerged as a promising energy alternative to fossil fuels. A barrier to widespread implementation and energy production efficiency is macro-heterogeneity of the rock matrix. Cracks, void spaces, and flow conduits divert fluid flow away from unswept portions of the geothermal reservoir and can cause cooling of the reservoir. Flow heterogeneity has been treated in oil reservoirs by injecting hydrogel particles that travel preferentially to ultra-high permeability zones and selectively block fluid flow in these regions. We are applying polymer hydrogels that withstand hydrothermal conditions of 225 up to 275°C …

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Transition Metal Chalcogenide As Multifunctional Biosenser To Detect Neurochemicals, Amitav Sen Apr 2026

Transition Metal Chalcogenide As Multifunctional Biosenser To Detect Neurochemicals, Amitav Sen

Miners Solving for Tomorrow Research Conference

The development of highly sensitive real-time sensing platforms for selectively detecting dopamine (DA) and norepinephrine (NE) is of significant clinical importance since these are closely associated with several neurodegenerative disorders. Herein, we report copper telluride (Cu₂Te) nanostructure as a bifunctional electrocatalyst for the simultaneous detection of dopamine and norepinephrine. Cu₂Te exhibits excellent electrocatalytic activity toward both DA and NE oxidation, as demonstrated by detailed electrochemical measurements. High sensitivities of 24 and 40 µA cm⁻² µM⁻¹ for DA and NE, respectively, were obtained with a wide linear detection range of 10–200 nM and low limit of detection (LOD), 31 nM for …

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Anti-Inflammatory And Insulin-Modulating Effects Of Tithonia-Curcuma-Moringa (Tcm) Formulation In Type 2 Diabetes: An Experimental Study In Mice, Rif’Atul Hawani Burhan, Nabila Shafa Yumna Salsabila, Devita Zulfa Pratama, La Tazkia Aulia Wibowo, Yulian Ervin Maulana, Moh Dliyauddin, Noviana Dwi Lestari, Agung Pramana Warih Marhendra, Aris Soewondo, Hideo Tsuboi, Muhaimin Rifa’I Apr 2026

Anti-Inflammatory And Insulin-Modulating Effects Of Tithonia-Curcuma-Moringa (Tcm) Formulation In Type 2 Diabetes: An Experimental Study In Mice, Rif’Atul Hawani Burhan, Nabila Shafa Yumna Salsabila, Devita Zulfa Pratama, La Tazkia Aulia Wibowo, Yulian Ervin Maulana, Moh Dliyauddin, Noviana Dwi Lestari, Agung Pramana Warih Marhendra, Aris Soewondo, Hideo Tsuboi, Muhaimin Rifa’I

Karbala International Journal of Modern Science

Type 2 diabetes is a chronic metabolic disorder characterized by hyperglycemia and chronic inflammation. This study investigated the anti-inflammatory and insulin-modulating effects of Tithonia-Curcuma-Moringa (TCM) formulation in type 2 diabetes model. Male BALB/c mice were divided into six groups: normal control, type 2 diabetes control, metformin treatment, and three TCM formulation treatment groups with three different dose combinations. Type 2 diabetes was induced using a high-fat diet combined with streptozotocin injection, supported by sucrose administration. After 21 days of treatment, the spleen and pancreas were isolated for flow cytometry analysis. The results showed that the expression levels of …

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Literature Review Of Local Culture-Based Mathematics E-Module With Islamic Values In Probability, Maya Puspita Sari, Surya Sari Faradiba Apr 2026

Literature Review Of Local Culture-Based Mathematics E-Module With Islamic Values In Probability, Maya Puspita Sari, Surya Sari Faradiba

Jurnal Pendidikan Sains

This study is grounded in the need to address the limitations of probability learning that is often procedural, decontextualized, and disconnected from students’ cultural and religious values. It aims to develop a comprehensive understanding of how local cultural contexts and Islamic values can be systematically integrated into mathematics e-modules, particularly for probability learning, and to formulate structured design principles and quality indicators for their development. This paper adopts a Systematic Literature Review (SLR) approach by analyzing empirical studies published between 2020 and 2025, using a structured selection process involving identification, screening, eligibility, and inclusion stages. A total of 11 high-quality …

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The Effect Of Virtual Laboratories On Students Interest And Learning Outcomes In Spermatophyta At Sma Negeri 1 Sojol, Ismawati Ismawati, Sutrisnawati Sutrisnawati, Manap Trianto, Masrianih Masrianih, Abd Rauf, Musdalifah Nurdin Apr 2026

The Effect Of Virtual Laboratories On Students Interest And Learning Outcomes In Spermatophyta At Sma Negeri 1 Sojol, Ismawati Ismawati, Sutrisnawati Sutrisnawati, Manap Trianto, Masrianih Masrianih, Abd Rauf, Musdalifah Nurdin

Jurnal Pendidikan Sains

Limited access to physical laboratory facilities and the abstract nature of Spermatophyta material reduce students’ learning interest and outcomes, necessitating the use of innovative digital learning media such as virtual laboratories. This study aims to analyze the effect of Virtual Laboratory (V-Lab) implementation on students’ learning interest and cognitive learning outcomes in Spermatophyta material at the senior high school level. A quantitative quasi-experimental design with a posttest-only control group was employed involving 66 eleventh-grade students divided into experimental and control classes; data were collected using a learning interest questionnaire and a multiple-choice test, and analyzed using independent samples t-test after …

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Reading Literacy Research Trends In Science Learning (2015–2025), Siwi Handayani, Siswanto Siswanto, Rina Rahayu Apr 2026

Reading Literacy Research Trends In Science Learning (2015–2025), Siwi Handayani, Siswanto Siswanto, Rina Rahayu

Jurnal Pendidikan Sains

This study aims to analyze research trends in reading literacy within science learning from 2015 to 2025 through a Systematic Literature Review (SLR) following the PRISMA (Preferred Reporting Items for Systematic Reviews and Meta-Analyses) framework. The initial screening of 150 articles from the WoS Core Collection and SINTA databases yielded 29 articles that met the inclusion criteria. The analysis focused on publication dynamics, contributing countries, participant characteristics, research variables, and the science subjects investigated. The findings indicate that research on reading literacy in science learning remains limited and shows fluctuating development. Most publications originate from national journals indexed by SINTA, …

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Florence State Prepares For Jet Age Needs With New, Expanded Facilities, Tommy Hill Apr 2026

Florence State Prepares For Jet Age Needs With New, Expanded Facilities, Tommy Hill

Documents

News article from The Birmingham News about the expanded facilities at Florence State College

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Scientist Floyd Retires At Florence State, Jack Bridges Apr 2026

Scientist Floyd Retires At Florence State, Jack Bridges

Documents

Dr. Homer H. Floyd's retirement from Florence State College

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Cytokinesis And Dbf2, Katharine Gray Apr 2026

Cytokinesis And Dbf2, Katharine Gray

Miners Solving for Tomorrow Research Conference

The Mitotic Exit Network (MEN) is a signaling pathway that allows a dividing cell to exit cytokinesis. Dbf2 is a MEN protein kinase in yeast, which provides a simplified model for studying this pathway. By altering Dbf2’s activity through phosphorylation mutants, its effect on cytokinesis can be studied. Transformed cells with a mutant and degron Dbf2 allele are prompted to destroy the degron Dbf2 protein, leaving only mutated Dbf2 behind. This allows for clear analysis of the effect of the phosphorylation mutant on division. Fluorescence microscopy can be used to visualise this degradation, and the impact on actin ring formation …

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The Stability Study Of Dna-Polymer Hybrids For Nanotechnology Applications, Ethan Kuehn, Milan Jebaraj Apr 2026

The Stability Study Of Dna-Polymer Hybrids For Nanotechnology Applications, Ethan Kuehn, Milan Jebaraj

Miners Solving for Tomorrow Research Conference

DNA nanostructures have garnered increasing interest in their application as drug delivery vehicles. However, DNA is susceptible to degradation under physiological conditions. To remedy this, we have devised a novel method to coat DNA nanostructures with the polysaccharide chitosan (a natural derivative of chitin). Chitosan binds to DNA electrostatically and inhibits nuclease activity that would normally degrade DNA in a physiological environment. We used both agarose gel electrophoresis (AGE) and atomic force microscopy (AFM) to determine the stability of DNA before and after immersion in a simulated biological environment. Physiological conditions were mimicked by incubating the DNA in cell culture …

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The Effects Of Preventing Dephosphorylation Of Lqg1 On Cytokinesis, Jenna Mueller Apr 2026

The Effects Of Preventing Dephosphorylation Of Lqg1 On Cytokinesis, Jenna Mueller

Miners Solving for Tomorrow Research Conference

Iqg1 plays crucial roles in cytokinesis, including the assembly, contraction, and disassembly of the actomyosin ring, as well as the coordination of contraction and septation. Given that cytokinesis must occur post-mitosis, Iqg1 is regulated by the cell cycle. This study explores hypotheses regarding Iqg1 regulation: it’s binding to action is negatively influenced by the cyclin-dependent kinase (CDK) Cdc28 and positively influenced by dephosphorylation via Cdc14. Newly developed yeast degron tagged strains allow for rapid depletion of specific proteins. Iqg1 mutations that alter serine to threonine, which allows phosphorylation but not dephosphorylation, in the degron strain allow testing of mutant phenotypes. …

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Asphalt Pavement Rejuvenation Investigated By Nuclear Magnetic Resonance Relaxometry, Catherine Skaggs Apr 2026

Asphalt Pavement Rejuvenation Investigated By Nuclear Magnetic Resonance Relaxometry, Catherine Skaggs

Miners Solving for Tomorrow Research Conference

Asphalt is a relatively inexpensive material commonly used for road pavements; however, asphalt ages from exposure to oxygen and UV radiation, leading to loss of elasticity, which leads to cracks and potholes. To slow or reverse asphalt aging, pavement preservation treatments are in use. It’s unclear whether these treatments truly rejuvenate the pavement structure or merely offer a short-term benefit. Nuclear Magnetic Resonance (NMR) relaxometry is an analytical technique that uses the recovery of excited nuclear magnetization as a parameter to gain insights into molecular environments. Recovery-time distributions gathered from asphalt materials show differences between regular and rejuvenated asphalt samples, …

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Bis(Μ-1,4-Dihydropyridin-4-One-Κ2o:O)Di-Μperchlorato-Κ4o:O0-Bis[Aqua(1,4-Dihydropyridin-4-One-Κo)Copper(Ii)] Tetraaquabis(1,4-Dihydropyridin-4-One-Κo)Copper(Ii) Tetrakis(Perchlorate) 1,4-Dihydropyridin-4-One Disolvate, Mark M. Turnbull, Christopher Landee, Jan L. Wikaira Apr 2026

Bis(Μ-1,4-Dihydropyridin-4-One-Κ2o:O)Di-Μperchlorato-Κ4o:O0-Bis[Aqua(1,4-Dihydropyridin-4-One-Κo)Copper(Ii)] Tetraaquabis(1,4-Dihydropyridin-4-One-Κo)Copper(Ii) Tetrakis(Perchlorate) 1,4-Dihydropyridin-4-One Disolvate, Mark M. Turnbull, Christopher Landee, Jan L. Wikaira

Chemistry

The reaction of copper(II) perchlorate hexahydrate with 4-pyridone and pyrazine in 1-propanol serendipitously yielded crystals of the solvated title double salt, [Cu(C5H5NO)2(H2O)4][Cu2(ClO4)2(C5H5NO)4(H2O)2](ClO4)4·2C5H5NO, as a biproduct. The copper cations in both the monometallic complex and the dimeric species exhibit classic Jahn-Teller-like elongations. All coordinating 4-pyridone molecules are in the κ-O coordination mode. The dimeric component exhibits both bridging 4-pyridone and perchlorate ligands. Both complexes and the 4-pyridone molecules are bound together by a network of classical hydrogen bonds. The non-coordinating perchlorate ions were modeled as three-site disordered and one of the coordinating 4-pyridone molecules was modeled as two-site disordered. © 2026 …

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Non-Redundant Rovibrational Hamiltonians By Molien Generating Functions And Gröbner-Basis Reduction, Leandro Ajo Apr 2026

Non-Redundant Rovibrational Hamiltonians By Molien Generating Functions And Gröbner-Basis Reduction, Leandro Ajo

University Libraries Undergraduate Research Award

High-resolution molecular spectroscopy requires an effective Hamiltonian whose operator content is both complete, containing every term allowed by molecular symmetry and nonredundant, free of any algebraically dependent operators that would cause ill-conditioned parameter fits. Traditional derivations based on Van Vleck contact transformations satisfy neither criterion automatically. This paper develops a rigorous, algorithmic pipeline that guarantees both properties simultaneously. Starting from the permutation– inversion (PI) group GPI of a molecule (Longuet-Higgins, 1963), we apply Molien’s theorem (Molien, 1897) to the symplectic normal-coordinate representation to obtain the vibrational generating function Φvib(t); integrate over the Haar measure of SO(3) (Weyl, 1946) to obtain …

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Crystallization And Utility Of Brominated Phenylethynylene Bis-Urea Macrocycles, Paras Srivastava Apr 2026

Crystallization And Utility Of Brominated Phenylethynylene Bis-Urea Macrocycles, Paras Srivastava

Senior Theses

Macrocycles are large, cyclic molecules with central cavities that can encapsulate other molecules and that have uses in supramolecular chemistry. The Shimizu group has previously synthesized Macrocycle 1, a phenylethynylene bis-urea macrocycle that crystallizes in a columnar form, enabling its utility as a host in host-guest systems. Reactions within these systems can be used to modify stereospecificity, kinetics, and other physical properties. Previously, photodimerization reactions between coumarins and chromones have been studied in systems of Macrocycle 1, resulting in the improved specificity of photodimerization products. Herein, we apply a dynamic covalent chemistry (DCC) strategy to synthesize Macrocycle 1 and its …

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Designing A Novel Inhibitor For Cobalamin-Independent Methionine Synthase, Damon Virgo Apr 2026

Designing A Novel Inhibitor For Cobalamin-Independent Methionine Synthase, Damon Virgo

Undergraduate Honors Papers

Microbial infections are some of the leading causes of death in the population at large, and antimicrobial-resistant “superbugs” have become a growing issue, so there is a great need to explore new and alternative pathways for fighting these diseases. One method for doing this is by exploring Methionine synthase (MetSyn), which plays a critical role in cellular one-carbon metabolism, catalyzing the methylation of homocysteine to form methionine, an essential amino acid required for protein synthesis and methyl group transfer reactions. Key differences between the B12-independant fungal MetSyn enzyme and the B12-dependant mammalian form can allow for selective targeting of the …

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Co-Ordination Driven Heteroleptic Self-Assembly Of Naphthalene Diimide And Aromatic Dicarboxylate, Rosanna Jees, Kennedy Kuchta, Joshua Do, Erendra Manandhar Apr 2026

Co-Ordination Driven Heteroleptic Self-Assembly Of Naphthalene Diimide And Aromatic Dicarboxylate, Rosanna Jees, Kennedy Kuchta, Joshua Do, Erendra Manandhar

Posters - 2026

Co-ordination driven self-assembly is a powerful tool to construct supramolecular co-ordination complexes (SCCs) with predictable and well-defined molecular structures. Fujita, Stang, Newkome, & others have developed novel methodology to synthesize 2D & 3D Metallo-supramolecular structures, such as triangles, cubes, and octahedrons. These have potential applications for optical materials, sensing, catalysis, light harvesting & emissions due to the structures’ well-defined cavity and easy functionalization at the periphery position of ligands.1–4 SCCs with various functional groups, fluorophores, and chromophores, like crown ethers, carbazoles, fullerenes, and dendrimers, have been reported through self-assembly, yet naphthalene-diimide (NDI)-based macrocycles and cages are limited. This project focuses …

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Synthesis Of Copper-Phenanthroline Complexes: A Solvothermal-Compatible Approach For The Exploration Of Metal Complexes, Yunping Zhoujin, Michael Anim Safo, Navindra Keerthisinghe, Mark D. Smith, Sophya Garashchuk, Hans Conrad Zur Loye Apr 2026

Synthesis Of Copper-Phenanthroline Complexes: A Solvothermal-Compatible Approach For The Exploration Of Metal Complexes, Yunping Zhoujin, Michael Anim Safo, Navindra Keerthisinghe, Mark D. Smith, Sophya Garashchuk, Hans Conrad Zur Loye

Faculty Publications

Inorganic–organic hybrid materials have been widely investigated for their applications in catalysis, optics, magnetism, and biomedicine. Copper halide complexes are of particular interest due to their structural diversity and physicochemical properties. Conventional crystal growth approaches, such as slow evaporation and hydro(solvo)thermal synthesis, typically require extended reaction times and often favor thermodynamically stable phases. In this study, we prepared ten copper-phenanthroline halide (X = Cl, Br, and I) complexes using both traditional hydrothermal reactions and microwave-assisted hydrothermal methods and obtained [CuI(C12H8N2)2][I3], [C12H9N2][CuI2]·(H2 …

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Steric And Electronic Considerations Of Ester Hydrolysis: Updating A Longstanding Physical Organic Kinetics Experiment, Mara J. Aucoin Apr 2026

Steric And Electronic Considerations Of Ester Hydrolysis: Updating A Longstanding Physical Organic Kinetics Experiment, Mara J. Aucoin

Chemistry Theses

A current, longstanding undergraduate physical chemistry kinetics experiment uses UV-Vis spectrophotometry to follow the hydrolysis of para-nitrophenyl acetate (NPA) with an imidazole (Im) catalyst. The catalyzed and uncatalyzed reaction paths can be studied simultaneously under pseudo first order conditions ([Im]>>>[NPA]). To obtain the rate constants for the catalyzed and uncatalyzed reactions, the concentration of imidazole is varied between reactions and then plotted against the observed rate constant (kobs).This produces a linear line where the slope is equal to the rate constant of the catalyzed reaction (kcat) and the intercept is equal to …

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Targeting Oncogenes: Development And Characterization Of Aurka And Her2 Inhibitors, Itzel Montoya Apr 2026

Targeting Oncogenes: Development And Characterization Of Aurka And Her2 Inhibitors, Itzel Montoya

Chemistry Theses

Targeted inhibition of oncogenes has remained a key strategy in the development of more potent, effective, and less toxic therapeutic anticancer agents. Among the most clinically significant signaling pathways are those mediated by the Human Epidermal Growth Factor Receptor 2 (HER2) and Aurora Kinase A (AurKA). HER2 is a member of the ErbB receptor family that supports cell growth and proliferation through downstream signaling of the PI3K and MAPK pathways and is closely linked to more aggressive tumors and therapeutic resistance. AurKA is a protein kinase essential for mitotic spindle assembly, centrosome maturation, and other key processes in cell cycle …

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Synthesis And In Vitro Evaluation Of Potential Tuberculosis Antibiotics, Chloe Spradlin Apr 2026

Synthesis And In Vitro Evaluation Of Potential Tuberculosis Antibiotics, Chloe Spradlin

Honors Projects

Tuberculosis (TB) remains a major global health threat. The bacteria causing TB, Mycobacterium tuberculosis, has proven difficult to combat, as drug resistance (MDR-TB) continues to develop within the bacteria. Access to healthcare in developing countries complicates the treatment of TB and MDR-TB. The World Health Organization has declared TB a global health crisis and has called for the development of new therapies. Previously, we used AutoDock Vina software to design novel drugs targeting InhA, an enzyme involved in mycobacterial cell wall synthesis. This project focuses on synthesizing amino diphenyl amides (ADA) and screening them against Mycobacterium. The synthetic pathway enables …

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Competitive Reaction Pathways In The Fully Green Synthesis And Surface Modification Of Silver Nanowires Under L-Ascorbic Acid-Limited Conditions, Finley Neal Apr 2026

Competitive Reaction Pathways In The Fully Green Synthesis And Surface Modification Of Silver Nanowires Under L-Ascorbic Acid-Limited Conditions, Finley Neal

Honors Theses

Silver nanowires (AgNWs) are critical building blocks for transparent conductive films (TCFs) in flexible electronics, yet their commercial viability is hindered by environmentally hazardous, energy-intensive synthesis methods and limited intrinsic chemical stability. This study investigated a fully green, room-temperature (25℃) batch synthesis of pristine AgNWs using tannic acid as a biodegradable dual reducing and capping agent under strict kinetic pH control (pH 1.25). To enhance oxidative resistance, a subsequent surface modification protocol was evaluated to deposit a protective palladium (Pd) shell using L-ascorbic acid (LAA) as a secondary reducing agent. The pristine green synthesis yielded one-dimensional Ag nanostructures with a …

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Synthesis Of Piperidine Heterocycles With Specific Functional Groups Via Sn2 Reactions, Teyanna Monroe Apr 2026

Synthesis Of Piperidine Heterocycles With Specific Functional Groups Via Sn2 Reactions, Teyanna Monroe

Honors Theses

Piperidine is a heavily utilized nitrogen containing heterocycle found in numerous pharmaceutical agents, solidifying its importance as a building block in drug development. The focus of this research is to investigate different mechanisms of action for adding and replacing various functional groups utilizing readily available lab materials. These findings would lead to determining the overall influence of substitution patterns and functional groups have on stereochemistry, reactivity, and overall conformation of the piperidine ring. The synthetic approach involves the formation of 3-bromo-5-methoxy-tosylpiperidine intermediate through acid promoted cyclization, followed by nucleophilic substitution reactions to introduce various functional groups. Reaction progress and product …

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Synthesis And Photophysical Studies Of Coumarin-Quinoline Derivatives, Nishrenika Pokhrel Apr 2026

Synthesis And Photophysical Studies Of Coumarin-Quinoline Derivatives, Nishrenika Pokhrel

Honors Theses

A new family of oxime-functionalized coumarin-quinoline derivatives, 5a and 5b, has been synthesized through a five-step procedure in high yields (45-98%). Compound 5a is designed as the sensing probe, while 5b serves as a model system to support mechanistic understanding. The sensing approach is based on the reactivity of the oxime group, which can undergo phosphorylation in the presence of organophosphate nerve agents. Based on this behavior, it is hypothesized that 5a can react irreversibly with a nerve agent mimic. The structures were fully characterized by NMR, FTIR, and HRMS. Photophysical properties of 5a were studied in various solvents, …

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Folic Acid–Carbon Dot–Gemcitabine Nanoparticles For Targeted Cancer Drug Delivery, Irfan Huda, Hua Mei Apr 2026

Folic Acid–Carbon Dot–Gemcitabine Nanoparticles For Targeted Cancer Drug Delivery, Irfan Huda, Hua Mei

SPARK Symposium Presentations

This project aims to develop a folic acid-attached carbon dot nanoparticle system (FA-CDs-GEM) for the targeted delivery of gemcitabine to cancer cells. While gemcitabine is widely used, its effectiveness is limited because a short in vivo half life and lack of selectivity, which lead to severe side effects. Carbon dots offer a simple and modifiable platform as the drug delivery and bioimaging agent. Conjugation of folic acid to the carbon dots enables selective targeting of cancer cells that overexpress folate receptors. In this study, we synthesized and characterized FA-CD-GEM nanoparticles and developed an HPLC calibration curve of GEM to accurately …

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Designing Surface-Induced Entatic States In Copper Complexes For Tunable Reactivity, Rachel Kiser Apr 2026

Designing Surface-Induced Entatic States In Copper Complexes For Tunable Reactivity, Rachel Kiser

Senior Theses

Copper catalysts play an important role in electrocatalytic oxidation reactions due to their redox flexibility and relative abundance compared to noble metal catalysts. In biological systems, copper metalloenzymes often achieve enhanced reactivity through an entatic state. Entasis is described as an active site or metal center being constrained to a geometric and electronic state, minimizing primary sphere reorganization energy and achieving higher rates of electron transfer.  This study investigates whether entasis can be achieved in synthetic molecular catalysts by immobilizing Cu(I) complexes onto metal oxide surfaces. Two Cu(I) complexes bearing carboxylate-functionalized ligands were examined both in homogeneous solution and when …

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