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Articles 61 - 90 of 1058
Full-Text Articles in Chemistry
Rapid Kinetic Fluorogenic Quantification Of Malondialdehyde In Ground Beef, Keshav Raj Bhandari
Rapid Kinetic Fluorogenic Quantification Of Malondialdehyde In Ground Beef, Keshav Raj Bhandari
Theses and Dissertations
Presented herein is rapid kinetic fluorogenic method to quantify malondialdehyde (MDA) in ground beef, utilizing 2-thiobarbituric acid (TBA) as the fluorogenic probe. This assay significantly shortens the total analysis time, from sample preparation to data acquisition, to just six minutes presenting a major advancement over traditional methods that typically require two hours and multiple instruments. The assay’s robustness against matrix interferences was validated using sample volume variation and standard addition calibration methods. Additionally, the effects of ambient exposure to air, washing, and cooking on MDA content in raw ground beef were quantified. While both ambient exposure to air and cooking …
The Chemistry Of Color: A Comparative Analysis Of Natural And Synthetic Dyes In Textile Application, Caitlyn Pinaga Cpht
The Chemistry Of Color: A Comparative Analysis Of Natural And Synthetic Dyes In Textile Application, Caitlyn Pinaga Cpht
Honors Program Theses and Research Projects
The Chemistry of Color: A Comparative Analysis of Natural and Synthetic Dyes in Textile Application examines how color functions at the intersection of chemistry, culture, and environmental responsibility. This project traces the evolution of dyeing from ancient natural pigment traditions, rooted in ecological knowledge, agricultural practices, and cultural identity, to the industrial rise of synthetic dyes, whose laboratory precision enabled unprecedented consistency, brightness, and global textile expansion. Through experimental swatch analysis, the study compares the behavior of natural dyes derived from plants and food sources with modern fiber-reactive and synthetic dye classes on a range of fibers including cotton, bamboo …
Hot Ground State Cooling Following Ultrafast Photoisomerization: Time-Resolved Infrared Spectroscopy, James N. Bull, Mark H. Stockett, Pratip Chakraborty, Eleanor K. Ashworth, Anam Fatima, Vincent J. Esposito, Gregory M. Greetham, Partha Malakar, Stephen R. Meech
Hot Ground State Cooling Following Ultrafast Photoisomerization: Time-Resolved Infrared Spectroscopy, James N. Bull, Mark H. Stockett, Pratip Chakraborty, Eleanor K. Ashworth, Anam Fatima, Vincent J. Esposito, Gregory M. Greetham, Partha Malakar, Stephen R. Meech
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
The ultrafast photophysics of many isomerizing molecules involves subpicosecond formation of a twisted hot ground state, which transfers energy to the environment through vibrational relaxation (cooling) over several picoseconds. In time-resolved infrared (TR-IR) spectroscopy, hot ground state transients show frequency shifts and band reshapings, which cannot be described through kinetic models that assume static spectral functions. We report a simple anharmonic cascade framework, which uses a single adjustable parameter associated with scaling the probability of vibrational energy transfer to the environment, for describing hot ground state cooling (HGSC) in TR-IR spectroscopy. The model is demonstrated against measurements on the cyan …
Book Of Abstracts, Seton Hall University
Book Of Abstracts, Seton Hall University
2025 Augustine Undergraduate Research Symposium
No abstract provided.
Accessing Cation And Anion Redox In Mixed-Valent One-Dimensional Iron-Chalcogenides, Na1.5fe1s2–Xsex(X = 0, 1, And 2), For Na-Ion Batteries, Santhoshkumar Sundaramoorthy, Milad Aghayi-Anaraki, Sutapa Bhattacharya, Amitava Choudhury
Accessing Cation And Anion Redox In Mixed-Valent One-Dimensional Iron-Chalcogenides, Na1.5fe1s2–Xsex(X = 0, 1, And 2), For Na-Ion Batteries, Santhoshkumar Sundaramoorthy, Milad Aghayi-Anaraki, Sutapa Bhattacharya, Amitava Choudhury
Chemistry Faculty Research & Creative Works
Sodium-ion batteries (NIBs) have attracted considerable attention as a cost-effective and sustainable alternative to lithium-ion batteries (LIBs), owing to the abundance and low cost of sodium resources. Here, we investigate previously reported mixed-valent (Fe3+/2+) one-dimensional (1D) iron chalcogenides: Na1.5FeS2, its selenide analogue Na1.5FeSe2, and newly developed solid solution Na1.5FeSSe, focusing on their synthesis, structural characterization, and electrochemical performance in NIBs. While the full Fe2+sulfide version (NaFeS2) of the compound is explored in solid-state cells for its dual cation–anion redox mechanism, we reveal the effect of anion substitution on the electrochemical behavior of Na1.5FeS2–xSex(x = 0, 1, …
Sustainable Polyaddition Path To Polyesters Via Catalytic Homocoupling Of Renewable Dicrotonate Monomers, Shabbir Asif, Mahsa Saeidi, Braden D. Pickle, Nicholas J. Tabbah, Michael L. Mcgraw
Sustainable Polyaddition Path To Polyesters Via Catalytic Homocoupling Of Renewable Dicrotonate Monomers, Shabbir Asif, Mahsa Saeidi, Braden D. Pickle, Nicholas J. Tabbah, Michael L. Mcgraw
Chemistry & Biochemistry Faculty Publications and Presentations
The development of biorenewable polyhydroxyalkanoate (PHA) chemistry has generated interest in crotonate-based monomers as versatile building blocks. Crotonates can be obtained through the pyrolysis of PHAs, offering both a sustainable end-of-life pathway for PHAs and a renewable route to crotonate monomers. This study presents a new polyaddition-type step-growth polymerization of dicrotonates in which alkene-functionalized polyesters are synthesized using potassium tert-butoxide as a simple base catalyst. The reaction proceeds rapidly at room temperature, achieving >99% conversion within seconds and requiring no byproduct removal. The properties of the resulting polyesters can be tuned via the choice of bridging diol, and the materials …
Synthesis And Characterization Of Copper Nanoparticles: A Laboratory Experiment For Undergraduate Physical Chemistry, Jonathan Batey, Deborah Okyere, Sarah York, Feng Wang, Jingy Chen
Synthesis And Characterization Of Copper Nanoparticles: A Laboratory Experiment For Undergraduate Physical Chemistry, Jonathan Batey, Deborah Okyere, Sarah York, Feng Wang, Jingy Chen
Chemistry & Biochemistry Faculty Publications and Presentations
Nonprecious metal nanoparticles have been the subject of intensive research, due to their potential applications in promoting sustainability. This integrated laboratory experiment is designed to provide undergraduate students with hands-on experience in synthesizing and characterizing nonprecious metal nanoparticles, specifically copper nanoparticles. The experiment consists of three sections, each tailored to teach a unique aspect of nanochemistry. Section 1 focuses on the air-free synthesis of copper nanoparticles using a solution-based method with an emphasis on understanding their plasmonic properties and how oxidation impacts them. Section 2 explores the quantitative analysis of copper, where students apply crystal field theory to understand the …
Time-Resolved Ultrafast Infrared Spectroscopic Interrogation Of Intramolecular Reaction Coordinates, Valerie Winkler
Time-Resolved Ultrafast Infrared Spectroscopic Interrogation Of Intramolecular Reaction Coordinates, Valerie Winkler
Arts & Sciences Graduate Student Theses and Dissertations
Light-induced chemical transformations are practical across many chemical and biological systems. From intramolecular hydrogen-bonding coordinates to reactions which alter the carbon framework of a molecule, the application of light can induce conformational changes that can subsequently be harnessed for a variety of tasks. However, molecular-level mechanistic insight about photo-induced chemical reactions remains difficult to acquire using current methodologies. In this dissertation, several intramolecular reactions are investigated and characterized, ranging from ground- and excited-state intramolecular proton transfers to the photochemical synthesis of a complex organic cyclization structure. The reaction coordinates are directly interrogated by utilizing ultrafast infrared spectroscopic techniques, such as …
Engineered Multifunctional Drug-Loaded Dendrimer Nanoparticles For Glaucoma: Triple Mechanism Via Antioxidant Activity, Iron Chelation, And Enhanced Ocular Transport, Burhan Ates, Ashish Trital, Vimalin Jeyalatha Mani, Lei Xu, Jonathan Kenlee, Nuran Ercal, Hu Yang
Engineered Multifunctional Drug-Loaded Dendrimer Nanoparticles For Glaucoma: Triple Mechanism Via Antioxidant Activity, Iron Chelation, And Enhanced Ocular Transport, Burhan Ates, Ashish Trital, Vimalin Jeyalatha Mani, Lei Xu, Jonathan Kenlee, Nuran Ercal, Hu Yang
Chemistry Faculty Research & Creative Works
In this study, we developed multifunctional nanoparticles based on polyamidoamine (PAMAM) dendrimers functionalized with caffeic acid (CA) and poly (ethylene glycol) maleimide (PEGM) for the topical delivery of hydrophobic antiglaucoma drugs brimonidine (BM) and betaxolol (BX). The PAMAM-CA and PAMAM-CA-PEGM conjugates exhibited antioxidant and iron-chelating activities in a dose-dependent manner. BM- and BX-loaded dendrimer nanoparticles produced using a multi-inlet vortex mixer showed uniform spherical morphology (∼80 nm by TEM) and hydrated sizes of ∼135-144 nm by DLS. Both nano formulations demonstrated high cytocompatibility with human corneal epithelial cells and were nonirritant in the HET-CAM assay, with PEGM further improving cytocompatibility. …
Buffer Vs. Swabs: Efficacy Of Carrier Nucleic Acids In Robotic Extractions, Shawn Cecil
Buffer Vs. Swabs: Efficacy Of Carrier Nucleic Acids In Robotic Extractions, Shawn Cecil
Honors Projects
This study compared the efficiency of two carrier nucleic acid methods, specifically using salmon sperm DNA (spDNA), in robotic solid-phase extractions of cotton swab samples. Robotic extractions reduce processing time and workload but result in substantially lower DNA recovery than manual organic extraction. This research tested 10 µg of spDNA being added to the lysis buffer or pre-treating the swabs with it before DNA was added. Both methods showed a significant increase in recovery compared to extractions with no carrier. In the buffer extractions, recovery ranged from 69.4% to 117.5% and the swabs being pre-treated ranged from 84.2% to 125.8% …
Dynamic, Reconfigurable, And Hierarchical Biosynthetic Composites Via Collagen Self-Assembly Within Highly Crowded Microgel Pastes, Elif Narbay, Abbygail Caine, Sanika Pandit, Gabrielle Montgomery, Marion Harper, E. Daniel Cárdenas-Vásquez, Hatte Hamilton, Megan Hicks, Daniel Mattar, Kyle Choy, Marco Bisoffi, L. Andrew Lyon
Dynamic, Reconfigurable, And Hierarchical Biosynthetic Composites Via Collagen Self-Assembly Within Highly Crowded Microgel Pastes, Elif Narbay, Abbygail Caine, Sanika Pandit, Gabrielle Montgomery, Marion Harper, E. Daniel Cárdenas-Vásquez, Hatte Hamilton, Megan Hicks, Daniel Mattar, Kyle Choy, Marco Bisoffi, L. Andrew Lyon
Engineering Faculty Articles and Research
The fabrication of a new class of biomimetic biomaterials is reported using nanostructured microgel pastes formed from “overpacked” assemblies of ultrasoft poly(N-isopropyl acrylamide-co-acrylic acid) microgels and their composites with collagen. Despite the solid-like nature of microgel pastes, collagen fibrillogenesis is robust and rapid, with a 3D collagen network forming throughout the paste volume. Structural organization within the composite is interrogated via a suite of microscopy methods, while rheological characterization provides insight into the static and dynamic mechanical properties of the materials. Long-range fibrillogenesis is enabled by local crowding, dynamics, and spatial reconfigurability of pastes at the …
Selenium Nanoparticles As Versatile Delivery Tools, Amir Nasrolahi Shirazi, Rajesh Vadlapatla, Ajoy Koomer, Kyle Yep, Keykavous Parang
Selenium Nanoparticles As Versatile Delivery Tools, Amir Nasrolahi Shirazi, Rajesh Vadlapatla, Ajoy Koomer, Kyle Yep, Keykavous Parang
Pharmacy Faculty Articles and Research
Selenium nanoparticles (SeNPs) have emerged as promising metal-based nanoparticles for drug delivery due to their unique physicochemical properties, intrinsic bioactivity, and biocompatibility. SeNPs offer a lower toxicity, higher bioavailability, and flexibility to be customized for surface chemistry compared to traditional selenium compounds. Advances in synthetic strategies, including chemical reduction, green biosynthesis, and surface functionalization with polymers, peptides, or ligands, have improved their stability, targeting capability, and circulation time. SeNP-based systems have demonstrated unique anticancer, antimicrobial, and anti-inflammatory activities, as they can function as drug carriers and active therapeutic agents. The surface of SeNPs has been functionalized with ligands such as …
Computational Molecular Docking Of Fluorinated Morphine Derivatives For Improved Pain Management, Mirabella Romano, Emily Chen
Computational Molecular Docking Of Fluorinated Morphine Derivatives For Improved Pain Management, Mirabella Romano, Emily Chen
Student Scholar Symposium Abstracts and Posters
The opioid epidemic impacts 60 million people worldwide every year. Morphine, a commonly prescribed opioid, binds to the μ-opioid receptor (MOR) in the body via protonation of its tertiary amino group and the MOR. An unfortunate side effect of this binding process is its non-selectivity in both peripheral and central tissues. While activation within inflamed peripheral tissues results in pain relief, activation within central tissues results in the unwanted and addictive side effects of opioids. Because there is a discrepancy in pH between healthy (central) and inflamed (peripheral) tissue, selective binding within the inflamed tissues could provide pain relief without …
Exploring The Potential Of Martian Agriculture: Assessing Viability And Nutritional Composition Of Plants Cultivated In Martian Regolith, Abigail Ross
Honors Theses
In addition to sunlight and water, plants can utilize a small number of nutrients from the soil to biosynthesize all the materials that are needed for growth and development. However, plants require an environment where they are able to obtain those nutrients, such as iron, magnesium, potassium, sulfur, and nitrogen. Environmental factors determine the types and accessibility of nutrients available to plants. Plants then take up these nutrients from the soil to aid in biological mechanisms and the synthesis of important molecules needed for growth and development. Ascorbic acid, commonly known as Vitamin C, is a vital molecule that is …
Optimization In The Synthesis Of Dual Ionic-Liquid-Functionalized Cellulosic Materials, Megan L. Franke
Optimization In The Synthesis Of Dual Ionic-Liquid-Functionalized Cellulosic Materials, Megan L. Franke
Honors College Theses
There is a growing urgency to develop sustainable alternatives to petroleum-based materials as concerns about environmental impact and resource depletion intensify. Among renewable biopolymers, cellulose stands out as one of the most abundant and versatile organic compounds on Earth. As the structural backbone of plant cell walls, it provides rigidity and mechanical strength, while its abundance, biodegradability, and tunable chemistry make it an attractive candidate for sustainable materials. Beyond its traditional uses in textiles, paper, and food additives, cellulose has been increasingly investigated in polymer chemistry for advanced
applications. The present study aims to optimize synthetic routes to dual ionic …
Upcycling Commodity Polymers To Advanced Materials For Energy And Environmental Sustainability, Anthony Griffin-Espinoza
Upcycling Commodity Polymers To Advanced Materials For Energy And Environmental Sustainability, Anthony Griffin-Espinoza
Dissertations
Synthetic polymers play an essential role in nearly every aspect of our lives. Extending beyond single-use packaging, polymeric material design has progressed to attain tailorable architectures granting exceptional performance across advanced applications, including carbon-fiber reinforced polymer composites for aerospace, conductive materials for soft electronics, and drug carriers for biomedicine. While highly promising, intricately designed polymers needed to achieve excellent performance often have limited processability, complex synthetic methods, and expensive precursors. Furthermore, due to a lack of recyclability, commodity polymer waste streams result in both environmental impacts and a substantial loss of economic value. This dissertation focuses on developing robust strategies …
The Malonate Template: The Key To Unlocking Novel Amino Acids, Thomas Owens
The Malonate Template: The Key To Unlocking Novel Amino Acids, Thomas Owens
Dissertations
The “Malonate Template” provides access to various amino acids, all from a common intermediate. Herein, demonstrates the use of the malonate template to establish a synthetic route to both 2-thiohistidine and 2-thio-3-N-methyl-histidine from a benzyl methyl malonate derived intermediate. Furthermore, efforts exploiting the applicability of the malonate template for the of both 2-thiohistidine and 2-thio-3-N-methyl-histidine as a suitable alternative to methods previously described by Erdelmeier are described.
The method presented incorporates modifications to the biomimetic pathway described by Erdelmeier for the synthesis of 2-thiohisidine. By exploiting the biomimetic formation of 2-thiohisitidne’s mechanism via mass spectrometry, we …
Molecular Design And Engineering Of Luminophores For Aggregation Induced Electrogenerated Chemiluminescence, Jesy Alka Motchaalangaram
Molecular Design And Engineering Of Luminophores For Aggregation Induced Electrogenerated Chemiluminescence, Jesy Alka Motchaalangaram
Dissertations
Most conventional luminophores produce intense emissions in solutions but suffer from weak emissions or quenching when aggregated in poor solvents due to intermolecular interactions, such as π-π stacking. This phenomenon is known as aggregation caused by quenching (ACQ), limits their applications in their solid state. In contrast, aggregation induced emission (AIE) is a phenomenon in which luminophores are weak- or non-emissive in solution but emit intensively in their aggregated or solid states. AIE has enabled significant advancements in various real-world applications and has inspired new areas of research. The combination of AIE with electrogenerated chemiluminescence (ECL) has resulted in a …
Geochemical Analysis Of The Eagle Ford Shale In Webb And Dimmit Counties, Tx, Natalie G. Girlinghouse
Geochemical Analysis Of The Eagle Ford Shale In Webb And Dimmit Counties, Tx, Natalie G. Girlinghouse
Electronic Theses and Dissertations
The Late Cretaceous Eagle Ford Shale of South Texas is a mixed carbonate–siliciclastic succession that serves as both a prolific hydrocarbon source and reservoir. This study integrates chemostratigraphy, mineralogical analysis, and elemental ratio proxies to reconstruct depositional environments and assess controls on detrital influx, paleoproductivity, and redox conditions across multiple cores in Webb and Dimmit counties. Major, trace, and redox-sensitive elements were evaluated alongside Total Organic Content (TOC) and carbonate content to identify stratigraphic trends and environmental shifts.
Results reveal distinct geochemical signatures between the Upper and Lower Eagle Ford Shale, with the Lower Eagle Ford characterized by elevated Al-rich …
Flux Crystal Growth Of A Series Of Calcium Rare Earth Silicate Chlorides Calnsio4Cl (Ln = Pr, Nd, Sm, Eu, Gd, And Tb): Mixed Anion Materials With A Spodiosite-Type Structure, Maria Goncalves, Mark D. Smith, Hans Conrad Zur Loye
Flux Crystal Growth Of A Series Of Calcium Rare Earth Silicate Chlorides Calnsio4Cl (Ln = Pr, Nd, Sm, Eu, Gd, And Tb): Mixed Anion Materials With A Spodiosite-Type Structure, Maria Goncalves, Mark D. Smith, Hans Conrad Zur Loye
Faculty Publications
A series of calcium rare earth silicate chlorides, CaLnSiO4Cl (Ln = Pr, Nd, Sm, Eu, Gd, and Tb), was obtained as single crystals from flux crystal growth. The structures were determined by single crystal X-ray diffraction and were found to be related to the spodiosite/Wagnerite mineral structure, Ca2PO4F. The obtained compositions are variations of the spodiosite structure that result from two simultaneous elemental substitutions. Replacing one calcium for one rare earth element and the simultaneous replacement of one VO43− or PO43− with one SiO44−. CaEuSiO4Cl was found to luminesce, and its photoluminescence spectrum is reported.
Water Circulation Beneath A Hovering Suas For Water Quality Monitoring Applications, Erin E. Hackett, Boone Fleenor, Jensine C. Coggin, Duvall Dickerson-Evans, Nikolaos Vitzilaios, Whitney E. Schuler, Paige K. Williams, Michael L. Myrick
Water Circulation Beneath A Hovering Suas For Water Quality Monitoring Applications, Erin E. Hackett, Boone Fleenor, Jensine C. Coggin, Duvall Dickerson-Evans, Nikolaos Vitzilaios, Whitney E. Schuler, Paige K. Williams, Michael L. Myrick
Faculty Publications
Water quality has traditionally been measured via in situ sensors and satellites. The latter has limited applicability for smaller inland water bodies, while the former requires significant logistics, labor, and expense for routine sampling, and reactive/spurious sampling is often not feasible as a result (e.g., sampling pre-/post-storm). Consequently, small uncrewed aircraft system-based (sUAS-based) sampling has emerged as a potential solution to bridge these sampling gaps and challenges. But sampling from an sUAS is complicated by the need to pump water from depth, rather than suspending a sensor from the sUAS, due to concern over sampling sUAS-impacted waters. Here, we measure …
Thermodynamic Assessment Of The Li, Na, K, Cs | F, I Reciprocal Salt For Msr Applications, Clara M. Dixon, Mina Aziziha, Amir Mofrad, Jorge Paz Soldan Palma, Ronald E. Booth, Aiswarya Padinhare Manissery, Jack A. Wilson, Hans Conrad Zur Loye, Hunter B. Tisdale, Juliano Schorne-Pinto, Theodore M. Besmann
Thermodynamic Assessment Of The Li, Na, K, Cs | F, I Reciprocal Salt For Msr Applications, Clara M. Dixon, Mina Aziziha, Amir Mofrad, Jorge Paz Soldan Palma, Ronald E. Booth, Aiswarya Padinhare Manissery, Jack A. Wilson, Hans Conrad Zur Loye, Hunter B. Tisdale, Juliano Schorne-Pinto, Theodore M. Besmann
Faculty Publications
Gibbs energy models necessary to describe the thermochemical behavior of cesium and iodine in molten FLiNaK (46.5LiF-11.5NaF-42KF mol%), a proposed molten salt reactor coolant and fuel solvent, have been developed as they are of concern due to their high radiotoxicity and volatility. The six constituent pseudo-binary systems LiI-CsI, LiI-KI, LiI-NaI, NaI-KI, KI-CsI and NaI-CsI were evaluated using available phase equilibria and mixing enthalpy measurements. The models for the ternary reciprocal salt systems Li,Cs|F,I, Li,K|F,I, Li,Na|F,I, Na,K|F,I, Na,Cs|F,I and K,Cs|F,I were obtained by interpolation of the optimized pseudo-binary systems and parameters fit as necessary based on observed behavior. The additive (common …
Catalytic Synthesis Of Iron-Doped Graphitic Aerogels From Poly(Phloroglucinol-Terephthalaldehyde – Urethane) Precursors, Stephen Yaw Owusu, Rushi U. Soni, Chariklia Sotiriou-Leventis
Catalytic Synthesis Of Iron-Doped Graphitic Aerogels From Poly(Phloroglucinol-Terephthalaldehyde – Urethane) Precursors, Stephen Yaw Owusu, Rushi U. Soni, Chariklia Sotiriou-Leventis
Chemistry Faculty Research & Creative Works
We report a new class of graphitic carbon aerogel precursors based on iron oxide-doped poly(phloroglucinol-terephthalaldehyde–urethane) (T-POL/PU-FeOx) networks. The hybrid polymeric network incorporates a rigid aromatic triisocyanate, tris(4-isocyanatophenyl)methane, which reacts in situ with the hydroxyl groups of phloroglucinol to form a polyurethane-containing framework. Monolithic aerogels derived from this system undergo catalytic graphitization at significantly reduced temperatures (800–1500 °C) compared to conventional graphitization (2500–3300 °C). An oxidative ring fusion aromatization step (240 °C, air) prior to pyrolysis enhanced the degree of graphitization. The resulting graphitic aerogels were characterized by XRD, Raman spectroscopy, TGA, TEM, SEM, XPS, and N₂ sorption porosimetry. Compared to …
N-Aryl Phenoxazines As Polymer Supported Photocatalysts, Mary Kathryn Hall
N-Aryl Phenoxazines As Polymer Supported Photocatalysts, Mary Kathryn Hall
Master's Theses
In photosynthesis, the energy of sunlight is perfectly harnessed to facilitate the production of small molecules that are essential for plant life on earth. Inspired by this model of energy efficiency and simplicity, this work seeks to mimic that ability to use the energy in visible light to perform new and more efficient chemistries. Just like in photosynthesis, photocatalysts can act as chromophores absorbing light to excite electrons opening new pathways for previously untapped reactivity. Recent research has provided a wide range of small molecule reactions that are made possible or easier by the use of a photocatalyst. However, these …
Peptoid-Based Molecular Analysis Utilizing High-Speed Molecular Dynamics Methods, In Chul Hwang
Peptoid-Based Molecular Analysis Utilizing High-Speed Molecular Dynamics Methods, In Chul Hwang
LSU New Orleans Theses and Dissertations
Polypeptoids are N-substituted glycine polymers, which differ from peptides in the placement of the side chain being present on the amide nitrogen rather than the backbone Cα. While both peptoids and peptides are composed of linked amino acids, the structural changes resulting from the differing origin of the side chain leads to distinct backbone structure, as well as remove the chirality found in the peptide structure. These differences lead peptoids to have different physiochemical and biological properties, such as being resistant to proteolysis and diverse three-dimensional structures that are not observed in peptides. With the shifting of the …
Synthesis Of Antibody Functionalized Polyaniline/Polystyrene/N-Gqds Composite Fibermats For Sweat Based Cortisol Biosensing Applications, Ashwin James
Honors Theses
Noninvasive, wearable biosensors capable of detecting stress biomarkers in sweat require electrodes that are flexible, conductive, insoluble in water, and highly sensitive at low concentrations of analyte. In this work, bovine serum albumin blocked and anti-cmab immobilized nitrogen doped graphene quantum dots integrated polyaniline/polystyrene composite fibermat electrodes (BSA/Anti-Cmab/N-GQDs/PANI/PS electrodes) were synthesized and evaluated as a potential platform for an electrochemical cortisol biosensor in sweat based systems. Polyaniline was utilized in order to provide electrical conductivity, while polystyrene served as a carrying polymer for mechanical support and its hydrophobicity. Composite fibermats were manufactured through Forcespinning™, followed by a secondary polyaniline graft …
Machine Learning-Optimized Porous Thermally Responsive Ss-Pcm With Switchable Transparency For Adaptive Building Envelope Coatings, Zhiying Xiao, Rajae Bousselham, Mingjiang Tao, Sergio Granados-Focil, Oren Mangoubi, Steven Van Dessel
Machine Learning-Optimized Porous Thermally Responsive Ss-Pcm With Switchable Transparency For Adaptive Building Envelope Coatings, Zhiying Xiao, Rajae Bousselham, Mingjiang Tao, Sergio Granados-Focil, Oren Mangoubi, Steven Van Dessel
Chemistry
Buildings account for nearly 40% of total energy consumption, with a significant share of heating and cooling demand arising from building envelopes. Conventional passive envelopes—such as cool roofs, radiative cooling surfaces, glazing systems, and passive solar walls—cannot automatically adapt to environmental conditions by switching between heating and cooling modes. To address this limitation, we propose a passive, adaptive building envelope coating system that responds to ambient temperature changes without external energy input. The system integrates solid–solid phase change materials (SS-PCM), Polydimethylsiloxane (PDMS) and Silver (Ag), enabling switchable radiative cooling and solar heating effects. We investigated the influence of porous structures …
Spectroscopic Studies Of Metal Containing Molecules Under Jet-Cooled Conditions Using Laster-Induced Fluoresence (Lif) And Dispersed Fluorescence (Df) Techniques., Md Touhidul Islam
Spectroscopic Studies Of Metal Containing Molecules Under Jet-Cooled Conditions Using Laster-Induced Fluoresence (Lif) And Dispersed Fluorescence (Df) Techniques., Md Touhidul Islam
Electronic Theses and Dissertations
This dissertation examines the jet-cooled spectroscopy of the calcium propoxide radical (CaOC₃H₇) to understand how increasing molecular complexity reshapes symmetry, electronic degeneracy, and vibronic coupling. Moving from Ca–OCH₃ to Ca–OC₃H₇ lowers symmetry (C₃v → Cs → C₁) and exposes effects such as spin–orbit splitting and both Jahn–Teller and pseudo–Jahn–Teller distortions. These features remodel the excited-state potential surfaces and are directly observable with laser-induced fluorescence (LIF) and dispersed fluorescence (DF). A central goal is to evaluate whether CaOC₃H₇ supports the near-diagonal vibronic branching needed for efficient optical cycling, while also highlighting implications for catalysis and astrochemistry, where precise spectral fingerprints guide …
Symmetry, Stability, And Robust Optimization Strategies For Nonorthogonal Multiconfiguration Self-Consistent Field Wavefunctions., Zihui Song
Electronic Theses and Dissertations
The "different orbital different configuration" (DODC) framework is a general formulation of multireference wavefunctions that allows each configuration (determinant) to possess its own set of optimized molecular orbitals, rather than sharing a common orbital basis as in conventional orthogonal configuration interaction (CI) or Complete Active Space Self-Consistent Field (CASSCF) methods. One prominent example of the DODC framework is the Nonorthogonal Configuration Interaction (NOCI) method, which relaxes the orthogonality constraint between the orbitals of different configurations. This relaxation enables a compact yet flexible description of systems exhibiting strong correlation. By employing multiple nonorthogonal reference determinants, NOCI naturally incorporates orbital relaxation and …
Content And Consequences: Impact Of Representation In Stem Higher Education Instructional Content On Marginalized Students, Nichole Ventura
Content And Consequences: Impact Of Representation In Stem Higher Education Instructional Content On Marginalized Students, Nichole Ventura
Doctorate in Education
This qualitative study examined representation of historically marginalized students in STEM instructional content at the higher education level and its impact on their learning experiences. Despite growing diversity initiatives in STEM enrollment, curricular materials often fail to reflect the identities of underrepresented students. Using critical theory and interpretivist approaches, this research investigated how representation—or its absence—shapes students' sense of belonging, academic identity formation, and persistence. Through semi-structured interviews with undergraduate students from historically marginalized backgrounds, and purposeful sampling, this study captured the lived experiences of students engaging with STEM instructional materials. Interview protocols explored how students perceive their representation in …