Graduate Theses and Dissertations in Chemistry

 

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Theses/Dissertations from 2024

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Rovibrational Characterization of Astrochemically-relevant Small Oxides, Olivia Ann Harwick

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Small Organic Molecules Absorbing Low Energy Photons for Dye Sensitized Solar Cells and Biological Imaging, Ravinder Kaur

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Characterizing Cooperative Effects in Halogen Bonding and Ionic Hydrogen Bonding with Computational Quantum Chemistry, Jacquelyn Jewell Mosely

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De Novo Design Approaches Toward the Development of Artificial Cu Proteins (ArCuPs) for Activation of Small Molecules with Functional Relevance to Cu Monooxygenases, Divyansh Prakash

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FTIR Microspectroscopy for the Investigation of Microplastic Pollution, Automotive Paint Layers, and Prehistoric Rock Paint with an Emphasis on Analytical Method Development, Sapumal Asiri Witharana

Theses/Dissertations from 2023

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Computational Investigation of the Structures and Vibrational Spectra of Isolated and Hydrated Ions, Kayleigh R. Barlow

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Theoretical Spectroscopy of Electronically Excited States, Megan Christina Davis

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Development and Validation of Different Analytical Techniques for the Quantification of Cannabinoids and Cannflavins In Cannabis and Cannabis-Based Products, Mostafa Elhendawy

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Developing Biomolecular Hydrogen Evolution Catalysts Using De Novo Designed Self-Assembling Metallopeptides and Metallothionein Scaffolds, Sreya Malayam Parambath

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Design, Synthesis, and Application of Indolizine-Donor Containing Fluorophores for Near-Infrared and Shortwave-Infrared Biological Imaging, William E. Meador

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Characterization of Inter- and Intramolecular Non-Covalent Interactions Through Computational Quantum Chemistry, Carly Alyssa Rock

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Photophysical Characterization of Small Organic Molecules Via Time-Resolved and Steady-State Spectroscopic Techniques, Cameron Luke Smith

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Exploring Structure-Activity Relationships in Molecular Catalysts for C-H Bond Oxidation and CO2 Reduction, Zane Turner

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Determining the Geochemical Variability of Groundwater During Riverbank Filtration, Transfer and Injection in the Mississippi River Valley Alluvial Aquifer in Shellmound, Mississippi, Alexandra Megan Ward

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Anharmonic Vibrational Frequencies of Large Hydrocarbons, Brent Robertson Westbrook

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Gold Nanomolecules: Nanomolecular Metallurgy, Crystal Structures, and Stability, Kalpani Eshangi Hirunika Wijesinghe

Theses/Dissertations from 2022

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Chemical Imaging of Latent Fingerprints using FTIR Microspectroscopy, Reba E.A. Chamblee

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Controlling Rate of Interfacial Electron Transfers via Synthetic Modulation of Organic Chromophores, Christine Curiac

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Molecular Design of Transition Metal Complexes for Photocatalytic CO2 Reduction and Redox Mediation in Dye-Sensitized Solar Cells, Anthony Devdass

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SPECTROSCOPIC INVESTIGATIONS OF NEWLY DEVELOPED MATERIALS FOR LIGHT HARVESTING, ENERGY CONVERSION, AND BIOIMAGING, Austin L. Dorris

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APPLICATIONS OF CORRELATED GAUSSIAN FUNCTIONS TO FEW-BODY IONS, William Earwood

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Core Size Conversion and Ligand Effects on Gold Nanomolecules Structure and Properties., Senthilkumar Eswaramoorthy

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On Airborne Tire Wear Particles along Roads, Labeling Microplastics with Fluorescent Dyes, Microplastics in Wastewater Treatment Plant and Beach Sand, and Microplastic-Mercury Affinity, Zhiqiang Gao

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Electrochemistry, Spectroscopy, And Mass Transport Of Lanthanide Solutes In Bis(Trifluoromethylsulfonyl)Amide-Based Ionic Liquids, Heather Danielle Hamilton

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SPECTROSCOPIC INVESTIGATIONS OF PHOTOINDUCED ELECTRON TRANSFER PROCESSES AT INTERFACES AND IN SOLUTION, leigh Anna Hunt

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Halogen Bond Driven Supramolecular Materials, Dilan Chinthaka Karunathilaka

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AMPHIPHILIC JANUS POLYMER NANOPARTICLES FOR PHARMACEUTICAL AND BIOMEDICAL APPLICATIONS, Mahesh Loku Yaddehige

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Dye and Redox Shuttle Interactions to Promote Fast Electron Transfer in Dye-Sensitized Solar Cells, Abeysinghe Mudiyanselage Dinesh Bandara Nugegoda

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Exploring Non-Covalent Interactions with Quantum Chemical Tools, Morgan Perkins

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Using Ab Initio Quantum Mechanical Methods for the Characterization and Isomerization of Novel Compounds, Kimberley N. Poland

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RE-ENGINEERED METALLOPROTEINS AND RATIONALLY DESIGNED DE NOVO PEPTIDES: TOWARDS ARTIFICIAL HYDROGENASES, Pallavi Prasad

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Donor-Acceptor (D-A) Type Semiconducting Materials for Optoelectronic Applications, Tharindu Ranathunge

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Investigations of Molecular Complexes for Catalytic Water Oxidation and Carbon Dioxide Reduction, Sha Tamanna Sahil

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Protein Redesign and De Novo Design Approaches to Create Artificial Nickel-Dependent Metalloenzymes, Dhanashree Selvan

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Effects of Heterocycles on Biologically Relevant Molecules, Sajith Manjrake Vijayan

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Achieving Record Photocurrent: Strategies for Harvesting and Utilizing Low Energy Photons in Organic Dye-Sensitized Photovoltaics, Jonathon Watson

Theses/Dissertations from 2021

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Linear and Nonlinear Photophysical Characterization of Novel Visible and NIR Emissive Materials, Shane Autry

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POLYESTER-PAMAM “JANUS-TYPE” LINEAR-DENDRITIC BLOCKOPOLYMERS (LDBCS) AS NEXT GENERATION BIOMATERIALS, Indika Chandrasiri

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APPLICATION OF PASSIVE AIR SAMPLERS FOR ATMOSPHERIC RESEARCH, AND DETERMINATION OF METALS IN TREE RINGS AND MARINE SAPROPEL BY ICP-MS, Byunggwon Jeon

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EXPLORING COPPER ACTIVE SITES IN BIOLOGY WITH RELEVANCE TO ALZHEIMER'S DISEASE AND DE NOVO DESIGNED BIOCATALYSTS, Suchitra Mitra

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Advancements Toward Sustainable Solar Fuel Production Utilizing Reductive Homogeneous Electro- and Photocatalysis, Hunter Pratt Shirley

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Elucidating the interfacial interactions between biomacromolecules and functionalized PAMAM-based materials for biomedical applications, Briana L. Simms

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ENHANCED ELECTROCHEMICAL AND LIGHT-DRIVEN CO2 REDUCTION BY INCOPORATING PENDANT FUNCTIONALITY IN THE SECOND-COORDINATION SPHERE OF MOLECULAR CATALYSTS, Sayontani Sinha Roy

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A Spectroscopic and Quantum Chemical Investigation into the Noncovalent Interactions and Charge Accommodation of Biomolecules and Their Building Blocks in Various Environments, Ashley Elizabeth Williams

Theses/Dissertations from 2020

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Cyanines, Squaraines, And Xanthene Based Nir Emissive Materials For Biological Imaging, Jacqueline N. Gayton

Theses/Dissertations from 2019

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A Study To Regioselectively Access Fluorinated Triazoles And Isoxazoles, Sweta Adhikari

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Characterization of hydrogen bonding, halogen bonding and argyrophilic interactions using computational modeling, Sarah Nicole Arradondo

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Effects Of Halogen Bonding And Nir Tuning Of Dyes For Dye-Sensitized Solar Cells, Alexandra Baumann

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Physical and chemical trace evidence from 3d-printed firearms, and use of a quadcopter for targeted sampling of gaseous mercury in the atmosphere, Oscar Beauchamp Black

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Development of Cobalt and Iron Catalysts Bearing Rigid Polydentate Ligands for Proton Reduction and C-H Bond Oxidation, Lizhu Chen

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Ni and Au Transition Metal Complexes in the Photocatalytic Co2 Reduction Reaction, Shakeyia Davis

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Probing atypical noncovalent interactions using electronic structure theory, Katelyn Mae Dreux

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X-Ray Crystal Structure of Au36(SPh-pCH3)24 Nanomolecules, Vigneshraja Ganeshraj

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Bulky Thiolated Gold Nanomolecules: Synthesis, Characterization, Optical Properties, and Atomic Structure, Tanya Clorise Jones

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The Medicine Hat block and the assembly of laurentia: new interpretations from single-grain zircon analyses, Blake Oswell LaDouceur

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The Development of Novel Rhenium- and Copper-Based Molecular Catalysts for Applications in Energy Conversion Chemistry, Joseph Michael Lee

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Electrochemical Studies Involving CO2 Reduction with Rhenium-based Catalysts and for Guanosine Monophosphate Oxidation, Kayla A. Milano

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Stabilization of DNA i-motif structures by 7-aminoactinomycin D, an anti-tumor drug, Justin Lane Parmely

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Organic Sensitizers for High Efficiency Dye-Sensitized Solar Cells, Adithya Peddapuram

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Ligand Effect on Gold Nanomolecules Demonstrated Using Aliphatic, Aromatic and Bulky Thiolate Ligands, Milan Rambukwella

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High Voltage Dye-Sensitized Solar Cells And Molecular Photocatalysis For Co2 Reduction, Roberta Ramalho Rodrigues

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Intramoleculer Hydrogen Bonding In Epoxide, Thiirane, Aziridine And Phosphirane Containing Cyclopentanols, Ben Edward Smith

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A computational approach to predicting and understanding new psychoactive substances (NPS) for developing a database for state and federal crime laboratories, Caroline Amelia Spencer

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The Synthesis of New Donor-sigma-Acceptor Compounds as Potential Current Rectifiers, Trey Gautier Vaughan

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Theranostics Based On Linear Dendritic Block Copolymers, Jon Williams

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Electro- and photocatalytic carbon dioxide reduction and thermal isomerization of highly strained tricyclocompounds, Weiwei Yang

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Near-Infrared High Efficiency Organic Dye Sensitized Solar Cells (DSCs) and Biological Fluorescent Imaging Dyes, Yanbing Zhang

Theses/Dissertations from 2018

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Synthesis and Evaluation of Dual-Acting Ligands for Mu Opioid And Neuropeptide FF Receptors, Kelsey Gabrielle McPherson

Theses/Dissertations from 2017

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Impact Of Timber Harvest On Mercury Mobilization In A Mixed Pine And Hardwood Forest And Adjacent Lake In Mississippi, Mary Kristen Dickerson

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Nickel Reduces Calcium Dependent Dimerization In Neural Cadherin, Matthew Paul Dukes

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Improvement and Development of Analytical Forensic Methods: Arson Investigation and Drug Detection in Fingerprints and Hair, Sarah Anne Glenn

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Contribution of specific amino acids to calcium-dependent dimerization of epithelial cadherin, Xiaoyun Z. Howard

Theses/Dissertations from 2016

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Robust Nickel Catalysts Supported By Biaryl-Bridged Pyridyl-N-Heterocyclic Carbenes For Carbon Dioxide Reduction To Value-Added Products, Hunter Allen Dulaney

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Biophysical Characterization Of A Proline Mutant Of Neural Cadherin, Keshia S. Dykes

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Investigation of Neural and Epithelial Cadherin Monomer Properties Using a Molecular Dynamics Approach, Lianyi Fan

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Characterization Of Charge Accommodation In Biologically Important Hydrogen-Bonded Clusters, John Thomas Kelly

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Gold And Silver Alloy Nanoparticles: Synthesis, Characterization And Atomic Structure, Chanaka Kapila Kumara

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Synthesis and Characterization of Anhydrous Proton Conducting Polymer Electrolytes for Fuel Cell Applications, Buddika Mayomi Liyanage

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Gas Exchange Of Hg Over Wetlands, Effect Of Biochar And Activated Carbon On Hg Emissions From Soil, And Seasonal Concentrations Of Hg In Rain, Divya Nallamothu

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Anodic Metal Dissolution In Haloaluminate Molten Salts/Ionic Liquids, Chen Wang

Theses/Dissertations from 2015

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Mercury methylation potentials in sediments an ancient cypress wetland using species-specific isotope dilution-GC-ICP-MS: Analytical method development and the effect of sorbent amendments, Derek Davin Bussan

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Effective tuning of bimetallic composition of gold-copper nanomolecules and the emergence of plasmon-like feature in optical spectra, Asantha Champika Dharmaratne

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Accurate Computation Of Molecular Properties From Novel Applications Of Quantum Mechanical Wavefunction Methods, James Coleman Howard

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Efficient Utilization of Solar Energy in Dye-Sensitized Solar Cells and in the Photocatalytic Reduction of Carbon Dioxide, Aron Joel Huckaba

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Method development for mass spectrometric characterization of ultra-small nanomolecules and mass spectrometry imaging of selected biomolecules, Nuwan K. Kothalawala

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The Spectroscopic Characterization Of Newly Developed Emissive Materials And The Effects Of Environment On Their Photophysical Properties, Louis Edward Mcnamara

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Gold Nanomolecules : Developing Synthetic Protocols, Characterization And Investigation Of Ligand Effects On Structure And Properties, Praneeth Reddy Nimmala

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Exploration Of Novel Synthetic Utility Of Lithioacetonitirile, Rambabu Sankranti

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Synthetic Study Of Karlotoxins And Investigation Of Alpha-Diaminoboryl Carbanion Chemistry, Yusuke Takahashi

Theses/Dissertations from 2014

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Evaluation Of Effects Of Epigenetic Modifications, Macromolecular Crowding, Degree Of Hydration, And Transcription Factor Binding On The Thermodynamic Stability Of Dna I-Motif Structures, Yogini Bhavsar

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Structural Analysis Of Bulky Thiolate-Protected Gold Nanomolecules, David Walton Crasto

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Noncovalent Interactions Involving Microsolvated Networks Of Trimethylamine N-Oxide, Kristina Andrea Cuellar

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Characterizing Non-Covalent Interactions And Peptide Bond Formation With Electronic Structure Theory, Eric Van Dornshuld

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Atmospheric Mercury Species In Northern Mississippi: Concentrations, Sources, Temporal Patterns, And Soil-Air Exchange, Yi Jiang

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The Impact of pH on the Structure and Function of Neural Cadherin, Jared Michael Jungles

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Synthesis, Characterization and Electrochemical Properties of Gold Nanomolecules, Vijay Bhaskar Reddy Jupally

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Elemental Fingerprinting Using Inductively Coupled Plasma Mass Spectrometry And Chemometrics: Application To Environmental Science And Provenance Studies, Lorlyn Paquibot Reidy

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Spectroscopic Analyses Of Factors Affecting Formation And Stability Of I-Motif Dna, Samantha Michelle Reilly

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Identification and characterization of human plasma prekallikrein-prolylcarboxypeptidase interaction sites, Jingjing Wang

Theses/Dissertations from 2013

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Studies of mercury in water, sediment, and fish in Mississippi: Concentrations, speciation, cycling, and isotopic composition, Garry Brown