Chemistry Commons^™

Physical And Chemical Characterization Of Recycled Glass Sand For Environmental Restoration, Shehbaz Ahmad, Julie P. Vanegas, Nicholas Borne, Natalia Butler, Toby Mendels, Leah A. Michaeloff, Diego Molina, Mary Salvaggio, Samantha Tamayo, Franziska Trautmann

Physics & Astronomy Faculty Publications

Introduction

We rely on coastal resources for food, water, and energy. However, over 75% of U.S. coastlines are eroding. Concurrently, the U.S. recycles less glass than other developed countries, landfilling hundreds of millions of tons every year. Recycled glass sand has many potential benefits over natural sand for combatting land loss; for example, it can be produced with controlled particle size to better resist erosion, making it an excellent—and underutilized—material for environmental restoration.

Objectives

This research compares the physical and chemical properties of recycled glass sand to natural sands (beach and dredge) from the U.S. Gulf Coast to assess environmental …

Technical Communication Instruction Partnership With Engineering Faculty, Ashley S. Mcguire, Michael M. Lipscomb

Libraries Professional Work

Graduate students in STEM fields are often expected to communicate – both in writing and orally – at a professional level by the time they submit their theses and dissertations. Unfortunately, many graduate students lack opportunities to learn how to do that in a STEM setting. An informal review of US programs revealed that many offer writing courses modeled on traditional composition courses, which are not necessarily directed to the needs of STEM students. Further, many of these courses provide a series of isolated learning modules with little continuity or encouragement to revise and in which technological writing assistance is …

Applying The Learning Cycle To Introduce Research Practices In General Chemistry Lab, Teresa J. Bixby, Matthew Kubacki, Jasmine Casanova

Chemistry Department Faculty Conferences

CUREs are a great way to engage students in research practices but can be onerous for instructors and teaching assistants to administrate and facilitate. There is added challenge in providing research experiences to students at the introductory level when they have developed limited knowledge and skills. Here we describe a more structured approach that applies the learning cycle to a traditional experiment to allow students to explore the technique, “invent” the parameters for systematic analysis, and apply the technique to a researchable question of their own construction.

Why Real Impact Stories Of Forest-Dependent Communities Are Essential In Carbon Marketing, Andrew Mwape

School of Natural Resources: Faculty Publications

As the global carbon market matures, the pressure on companies and project developers to prove the integrity and social value of their carbon offset initiatives has never been greater. At the heart of this growing scrutiny lies a key opportunity: to move beyond metrics and tell authentic, human-centered stories that reflect the real impact of carbon projects; especially those rooted in forest landscapes.

2d Cuo/Rgo Nanocomposite: A Novel Architecture For Enhanced Cr(Vi) Photo-Reduction, Islam Gomaa, Nasser M. Hosny, Medhat A. Ibrahim

Nanotechnology Research Centre

he urgent need for efficient detoxification of carcinogenic hexavalent chromium (Cr(VI)) in aquatic environments has driven the development of advanced photocatalytic materials. This study presents the synthesis of 2D CuO/reduced graphene oxide (rGO) nanocomposite via probe sonication, designed to synergistically enhance the photocatalytic reduction of Cr(VI) to less toxic Cr(III). The nanocomposite was meticulously characterized using XRD, HRTEM, FESEM, XPS, and UV-Vis diffuse reflectance spectroscopy. Structural analysis confirmed the formation of CuO nanosheets (average size: 396 nm, thickness: 6 nm) integrated with rGO, where the rGO acted as an electron acceptor, mitigating charge recombination. XPS revealed Cu²⁺ in CuO and …

Photo-Crosslinked Persistent Micelle Templates With Near Universal Solvent Compatibility, Coby S. Collins, Mengxue Zhang, Cj Strurgill, Christian X. Ruff, Bryce Melton, Morgan Stefik

Faculty Publications

The controlled preparation of porous nanomaterials from block polymer templates is important for diverse applications from energy devices to optical coatings and sorbents. The architectural dimensions determine the overall performance for many of these applications, however the independent control of these dimensions has remained limited to a narrow range of solvent conditions for kinetically trapped (“persistent”) micelle templates. Polymers with a photo-reactive chemistry are shown to enable cross-linked micelle templates that universally remain persistent under diverse solvent conditions. Specifically, poly(poly(ethylene glycol methacrylate))-b-poly(butyl methacrylate-co-coumarin methacrylate) (OBC) was prepared by RAFT polymerization and the resulting micelles were crosslinked …

Integrated Density Functional Theory And Experimental Study Of Optical And Electronic Properties For Mos2/ (Metal=Au, Pt, Ni, Cu) And Mos2/Graphene/Metal Heterointerfaces, Shishir Timilsena, Sanju Gupta, Muhammad I. Bhatti, Nicholas Dimakis

School of Integrative Biological & Chemical Sciences Faculty Publications

We present computational simulations and experimental analyses of various heterointerfaces constructed from two-dimensional molybdenum disulfide (MoS2) and graphene on gold (Au), platinum (Pt), nickel (Ni), and copper (Cu) substrates. We combined density functional theory electronic structure, optical properties, and work function to elucidate heterostructure changes due to metal selection, corroborated with experimentally determined surface electronic properties. Here, we correlate shifts in the metal d-band center relative to the Fermi energy with the MoS2 bandgaps and bandgaps in the Dirac point region of the MoS2/graphene/Metal heterointerfaces. For the Ni heterointerfaces, the upshift of the metal d-band relative to the Fermi energy …

Pvc Biodegradation Potential Of Native Fungal Strains From Mt. Hood National And Tillamook State Forests, Bristol Ozturgut

University Honors Theses

Polyvinyl chloride (PVC) is a toxic, degradation-resistant environmental waste product. Recent research has revealed fungal enzymatic activity capable of biodegrading plastics. As PVC infiltrates local environments, it becomes imperative to determine the adaptability of local fungi to PVC substrates. In this experiment, 100 local native fungal strains sampled from the Tillamook State and Mt. Hood National forests and one commercial strain of common oyster mushroom were investigated for their ability to colonize and digest PVC by direct isolation on 0.1% and 0.2% PVC-enriched limited growth media. Substrates for positive cultures were imaged using Fourier transform infrared spectroscopy to analyze potential …

Versatile Imidazole Scaffold With Potent Activity Against Multiple Apicomplexan Parasites, Monique Khim, Jemma Montgomery, Mariana Laureano De Souza, Melvin Delvillar, Lyssa J. Weible, Mayuri Prabakaran, Matthew A. Hulverson, Tyler Eck, Rammohan Y. Bheemanabonia, P. Holland Alday, David P. Rotella, J. Stone Doggett, Bart L. Staker, Kayode K. Ojo, Purnima Bhanot

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

Malaria, toxoplasmosis, and cryptosporidiosis are caused by apicomplexan parasites Plasmodium spp., Toxoplasma gondii, and Cryptosporidium parvum, respectively, and pose major health challenges. Their therapies are inadequate, ineffective or threatened by drug resistance. The development of novel drugs against them requires innovative and resource-efficient strategies. We exploited the kinome conservation of these parasites to determine the cellular targets and effects of two Plasmodium falciparum inhibitors in T. gondii and C. parvum. The imidazoles, (R)-RY-1-165 and (R)-RY-1-185, were developed to target the cGMP dependent protein kinase of P. falciparum (PfPKG), orthologs of which are present in T. gondii and C. parvum. Using …

Shrinkage Study In Photopolymerisable Hybrid Sol-Gel Through Holographic Patterning, Jamshed Aftab, Izabela Naydenova, Tatsiana Mikulchyk

Articles

Photopolymerisation induced shrinkage of holographic materials is one of the main factors which needs to be considered for designing holographic optical elements (HOEs) with high accuracy in light redirection with maximum efficiency. This work studies the shrinkage in photopolymerisable hybrid sol-gel (PHSG) by examining the properties of volume transmission gratings recorded in PHSG layers. It explores both the dependence of shrinkage on the holographic grating parameters (thickness, spatial frequency, slant angle) and the effect of material aging. By using the fringe-plane rotation model, shrinkage is found to have the maximum value of 1.37 % at 765 lines/mm (19.36° slant angle) …

Photochemistry Of Quinones And Combustion-Derived Particles, Desiree J. Sarmiento

Electronic Theses and Dissertations

Quinones are ubiquitous species that can be produced from the photochemical aging of combustion-derived particles (CDPs). Polycyclic aromatic hydrocarbons (PAHs) are a major component of CDPs and are precursors to quinones and other oxidized products (OPAHs). My work first expanded on the PAH and OPAH photochemistry research of Dr. John Haynes, who showed that anthracene (ANT) oxidizes into 1,4-naphthoquinone (1,4-NAPQ), 1,4-anthraquinone (1,4-ANTQ), and 9,10-anthraquinone (9,10-ANTQ), and of Dr. Heather Runberg, who demonstrated the ability of ANT and these quinones to generate reactive oxygen species (ROS). Then at the Pacific Northwest National Laboratory (PNNL), I was given the opportunity to investigate …

Synthesis Of Anti-Schistosomal Heterocyclic Compounds Targeting Thioredoxin Glutathione Reductase, Alexander Stewart

Lawrence University Honors Projects

chistosomiasis is a deadly and debilitating parasitic disease caused by Schistosoma mansoni which affects 200+ million people annually who come into contact with contaminated water. Currently only one drug (Praziquantel) has been used to treat this disease for almost 50 years, and fear of resistance is growing, thus a new drug and new target is needed. Inhibition of the organism-specific redox defense protein Thioredoxin Glutathione Reductase (TGR) has lead to the death of the worm in vitro, indicating that it would be a good druggable target. Fragment based analysis and x-ray crystallography have returned the outline of a lead compound …

Simple Yet Effective, Effective Yet Inclusive: A Skincare Line, Ayesha Wali Rahimoon

Lawrence University Honors Projects

This honors project addresses the lack of inclusive skincare formulations by developing a scientifically grounded skincare line with an antioxidant-rich serum, moisturizer, and cleanser tailored to support diverse skin types, particularly melanin-rich skin. The serum combines strawberry extract powder, Manuka honey, niacinamide, green tea extract, and humectants to promote hydration, antioxidant protection, and skin barrier reinforcement. Formulated with a stable pH of 5.0–5.5 and an effective preservative system, the product was tested through non-animal, biologically relevant models.

A UV protection assay using HEK293 cells demonstrated that the serum significantly reduces oxidative damage, increasing post-exposure cell viability to 80%, compared to …

Predicting The Photophysics Of Bdpa-Based Radicals Using Density Functional Theory, Samantha Kristine Piwoni

Lawrence University Honors Projects

Through this project, computational tools were refined to be more rigorous and robust for the primarily synthetic SazLab at Lawrence University. The primary research of the SazLab involves synthesizing and characterizing luminescent radicals based on two stable radical systems: TTM and BDPA. The BDPA system is of particular interest because the effects on luminescence of its nonalternant symmetry are less understood compared to the alternant symmetry of TTM. Quantum mechanical calculations, particularly Density Functional Theory, were utilized to help target syntheses and gain insight into the photophysics of luminescence. A prior student researcher with the SazLab had successfully synthesized 2-pyBDPA, …

Advancing The Functional Diversity Of Hydrazone Photoswithces, Daniil Sosnin

Dartmouth College Ph.D Dissertations

Photochromic materials have drawn increasing interest for their ability to control functional systems and biological processes using light. Molecular switches enable precise, reversible regulation of the systems in which they are embedded. To achieve robust and versatile switching, careful tuning of molecular structure and activation conditions is essential. Hydrazones represent a promising class of photoswitches, offering synthetic accessibility, strong thermal and photochemical stability, and a modular framework that supports further development for materials and biological applications. This work begins by examining a family of heterocyclic hydrazones to determine how structural variations affect photoswitching efficiency and thermal half-lives. Comparisons with phenyl-based …

Enzymatic Characterization Of Bacterial Enzymes And Inhibitors As Potential Antibiotics With New Mechanisms Of Action, Emma Helene Kelley

Dissertations

Bacteria have become increasingly resistant to antibiotics, therefore there is an urgent need for new drug classes of antibiotics to help fight antibiotic infections. To this end, our research is focused on inhibitors of dizinc metalloenzymes N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE), an enzyme in the lysine biosynthesis pathway, N-acetyl-L-ornithine deacetylase enzyme (ArgE), an enzyme in the arginine biosynthesis pathway, and sodium-dependent NADH: ubiquinone oxidoreductase (Na+-NQR) enzyme, a respiratory complex enzyme as promising drug targets. DapE, ArgE, and Na+-NQR and are only present in bacteria, including ESKAPE pathogens that can cause potentially deadly infections, thus inhibitors of DapE, ArgE, and Na+-NQR offer …

Development Of Novel Force Fields For Metal Ions, Madelyn Smith

Dissertations

Many biological proteins require the presence of a metal ion in order to properly function. However, metal ions’ complex nature charge poses several challenges to accurately and efficiently simulate computationally. For example, metal ions can exhibit multiple oxidation states, electronic state degeneracy, flexible coordination numbers, and significant polarization effects. To address these problems, this dissertation aims to enhance force fields for modeling metal ions in molecular dynamics simulations. First, a comprehensive set of van der Waals radii for metal ions is derived, demonstrating the importance of using physically meaningful parameters in force fields. Second, a comprehensive set of atomic and …

The Critical Plastocapillary Number For A Newtonian Liquid Filament Embedded Into A Viscoplastic Fluid, Mohammad Tanver Hossain, Wonsik Eom, Arjun Shah, Andrew Lowe, Douglas Fudge, Sameh H. Tawfick, Randy Ewoldt

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

The yield stress of a viscoplastic material can stabilize an embedded fluid tunnel against capillarity-induced breakup, enabling remarkable technologies such as embedded 3D printing of intricate, freeform, and small components. However, there is persistent disagreement in the published literature between the observed minimum stable diameter, 𝑑min, and the theoretical plastocapillary length 𝑝𝑐 = 2𝛤∕𝜎𝑦, with interfacial tension 𝛤 and bath yield stress 𝜎𝑦, leading to a prior hypothesis that the apparent surface tension 𝛤 is much smaller to enforce 𝑑min = 𝑝𝑐 . Here we introduce and experimentally test a new hypothesis that the critical diameter is set by the …

The Impact Of Substrate Structure And Catalyst Identity On The Lewis-Acid Catalyzed Carbonyl-Olefin Metathesis Reaction, Cory William Schneider

Dissertations

The formation of carbon-carbon double bonds is one of the most important transformations in organic chemistry, as they are integral to the structural scaffold of many organic molecules. Thus, the development and understanding of reactions that form such bonds is crucial. Lewis-acid catalyzed carbonyl-olefin metathesis is one such reaction. Like many others, this reaction is sensitive to both the identity of the catalyst, as well as the structure of the substrate. In this dissertation, I present empirical and theoretical works investigating how the catalyst identity and the substrate direct the reactivity of the Lewis-acid catalyzed carbonyl-olefin metathesis reaction.

Human Gut Commensal Alistipes Timonensis Modulates The Host Lipidome And Delivers Anti-Inflammatory Outer Membrane Vesicles To Suppress Colitis In An Il10-Deficient Mouse Model, Ethan Older, Mary K. Mitchell, Andrew Campbell, Xiaoying Lian, Michael Madden, Yuzhen Wang, Lauren E. Van De Wal, Thelma Zaw, Brandon N. Vanderveen, Rodney Tatum, E. Angela Murphy, Yan-Hua Chen, Daping Fang, Melissa Ellermann, Jie Li

Faculty Publications

Correlative studies have linked human gut microbes to specific health conditions. Alistipes is one such microbial genus negatively linked to inflammatory bowel disease (IBD). However, the protective role of Alistipes in IBD is understudied, and the underlying molecular mechanisms remain unknown. In this study, colonization of Il10-deficient mice with Alistipes timonensis DSM 27924 delays colitis development. Colonization does not significantly alter the gut microbiome composition, but instead shifts the host plasma lipidome, increasing phosphatidic acids while decreasing triglycerides. Outer membrane vesicles (OMVs) derived from Alistipes are detected in the plasma of colonized mice, carrying potentially immunomodulatory metabolites into the …

Cannabis Concentrate Vaping Chemistry, Kaelas R. Munger, Killian M. Anreise, Robert M. Strongin

Chemistry Faculty Publications and Presentations

Background:

This review article addresses the vaping chemistry of manufactured cannabis concentrates—a topic that remains under-researched despite the widespread availability and growing popularity of these products. Given their current prevalence and the fact that many of the findings discussed herein are from early-stage investigations, further research is essential to fully assess the public health risks associated with concentrate use. The purpose of this article is to help begin to bridge this knowledge gap by outlining the technical challenges of studying cannabis concentrates and to present evidence-based data concerning toxicant exposures as a foundation for future investigations.

Methods:

A search of …

Comprehensive Insights Into The Cholesterol-Mediated Modulation Of Membrane Function Through Molecular Dynamics Simulations, Ehsaneh Khodadadi, Ehsan Khodadadi, Parth Chaturvedi, Mahmoud Moradi

Chemistry & Biochemistry Faculty Publications and Presentations

Cholesterol plays an essential role in biological membranes and is crucial for maintaining their stability and functionality. In addition to biological membranes, cholesterol is also used in various synthetic lipid-based structures such as liposomes, proteoliposomes, and nanodiscs. Cholesterol regulates membrane properties by influencing the density of lipids, phase separation into liquid-ordered (Lo) and liquid-disordered (Ld) areas, and stability of protein-membrane interactions. For planar bilayers, cholesterol thickens the membrane, decreases permeability, and brings lipids into well-ordered domains, thereby increasing membrane rigidity by condensing lipid packing, while maintaining lateral lipid mobility in disordered regions to preserve overall membrane fluidity. It modulates membrane …

Lighting Up The Cell: Developing A Luminescent Lanthanide Probe For Detecting Rnas, Jonathan Savell

Honors Projects

An anion detecting luminescent probe, Tb:DO2A-Cs124, was repurposed for use in RNA imaging. Potential RNA aptamers were identified for the molecule using Capture-SELEX and MinION sequencing. Fluorimetry data revealed these aptamers did not allow for the probe to luminesce in the presence of target RNAs due to adenosine monophosphate’s ability to quench the emission signal.

Refinement And Application Of The Absorption Cross-Section Of Molecular Bromine With Relevance To Atmospheric Chemistry, Callum Flowerday, Ryan Thalman, Jaron C. Hansen, Eric T. Sevy, Jason J. Sorensen, Matthew C. Asplund

ScholarsArchive Data

Defined Br2 XS - is the defined absorption cross-section using the UVvis spectrophotometer.

BBCEAS - This is raw absorption data measured using the BBCEAS (see article for details).

UVvis raw - This is the raw absorption data measured using the UVvis spectrophotometer.

Development And Photophysical Characterization Of Bioinspired Materials, Qaisar Maqbool

USF Tampa Graduate Theses and Dissertations

Porphyrins are versatile aromatic macrocycles with unique photophysical properties that make them attractive for applications in light harvesting, photocatalysis, and sustainable energy conversion. Incorporating porphyrins into metal-organic frameworks (MOFs) offers a unique opportunity to modulate their photophysical behavior through spatial confinement and host–guest interactions. This thesis explores how structural modifications influence porphyrin excited-state behavior through a multi-stage investigation. The work begins by comparing the photophysical properties of two cationic porphyrins: tetra(N-methylpyridyl) porphyrin(TMPyP) and tetra(4-N,N,N-trimethylanilinium) porphyrin(4TANP). While TMPyP exhibits significant singlet–charge transfer (S₁–CT) state mixing due to charge delocalization onto peripheral pyridinium groups, 4TANP lacks comparable behavior. The localized nature of …

Investigation Of Maleic Anhydride In Organic Synthesis, Emma Nissen, Zhijun Wang, Qianli Rick Chu

Arts & Sciences Undergraduate Showcase

This research explores the synthetic utility of maleic anhydride; a versatile and reactive compound widely used in organic and industrial chemistry. The study focuses on the synthesis of N-allyl maleimide and 3-hexyl-1,2-cyclobutanedicarboxylic acid. N-allyl maleimide, confirmed via ^1H NMR spectroscopy, was synthesized in high yield and shows potential as a monomer or intermediate in organic synthesis. Additionally, the photochemical synthesis of a novel compound, 3-hexyl-1,2-cyclobutanedicarboxylic acid, was achieved and characterized. Its long aliphatic side chain contributes to decreased melting point and increased solubility. These findings demonstrate maleic anhydride’s utility in forming intermediates and bicyclic compounds under mild conditions, supporting its …

Ensemble-Based Binding Free Energy Profiling And Network Analysis Of The Kras Interactions With Darpin Proteins Targeting Distinct Binding Sites: Revealing Molecular Determinants And Universal Architecture Of Regulatory Hotspots And Allosteric Binding, Mohammed Alshahrani, Vedant Parikh, Brandon Foley, Gennady M. Verkhivker

Mathematics, Physics, and Computer Science Faculty Articles and Research

KRAS is a pivotal oncoprotein that regulates cell proliferation and survival through interactions with downstream effectors such as RAF1. Despite significant advances in understanding KRAS biology, the structural and dynamic mechanisms of KRAS allostery remain poorly understood. In this study, we employ microsecond molecular dynamics simulations, mutational scanning, and binding free energy calculations together with dynamic network modeling to dissect how engineered DARPin proteins K27, K55, K13, and K19 engage KRAS through diverse molecular mechanisms ranging from effector mimicry to conformational restriction and allosteric modulation. Mutational scanning across all four DARPin systems identifies a core set of evolutionarily constrained residues …

Electrochemically-Assisted Low Power Density Laser Writing On Stainless Steel Via Enrichment Of Chromium Oxides, Zechariah J. Pfaffenberger, Lianlian Liu, Tae Kyong John Kim, Vignesh Venkataramani, Lydia Kisley

Faculty Scholarship

Laser color marking produces nearly permanent, environmentally friendly, vibrant colors on surfaces. However, previous work has used high-power-density pulsed lasers to induce the physicochemical reactions for marking. Here, laser color marking on stainless steel 304 (SS304) is performed with a less expensive continuous wave (CW) laser and a power density five orders of magnitude below that previously reported by combining an electrochemical cell with a fluorescence microscope. Using a combination of optical microscopy, x-ray photoelectron spectroscopy, and bulk electrochemistry, it is demonstrated that the laser-induced luminescence and colors are due to enrichment (32 ± 9% increase) of Cr₂O₃ in the …

Investigation Into Thermodynamic And Kinetic Phenomena In Arylation Reactions With Diaryliodonium Salts, Soocheta Jha

Dissertations and Theses

Benzenoid rings are fundamental structural motifs in organic chemistry, widely recognized for their prevalence in natural products, pharmaceuticals, agrochemicals, and functional materials. Transition metal-catalyzed arylation, using catalysts such as palladium, nickel, or copper, has revolutionized C-C, C-O, and C-N bond formation, offering broad substrate scope and high efficiency. Among the reagents developed for efficient aryl group transfer, diaryliodonium salts have emerged as particularly powerful tools. Diaryliodonium salts facilitate metal-free arylations across a broad spectrum of nucleophiles, offering high reactivity, operational simplicity and environmental compatibility. The versatility of diaryliodonium salts has led to their widespread adoption as efficient arylating reagent in …

Molecular Insights Into The Role Of Estrogen Receptor Beta In Ecdysterone Mediated Anabolic Activity, Syeda Sumayya Tariq, Madiha Sardar, Muhammad Shafiq, Hendrick Heinz, Mohammad Nur-E-Alam, Aftab Ahmad, Zaheer Ul-Haq

Pharmacy Faculty Articles and Research

Ecdysterone, often dubbed a “natural steroid,” has garnered significant attention among athletes for its reputed growth-promoting and anabolic properties. Unlike synthetic anabolic steroids, which are classified as controlled substances, ecdysteroids remain largely unregulated in many countries and are widely marketed as dietary supplements. Notably, ecdysterone has been included in the World Anti-Doping Agency (WADA) monitoring program, highlighting its potential impact on athletic performance and raising questions about its regulation. Emerging evidence indicates that, unlike traditional anabolic steroids that act primarily via the Androgen Receptor (AR), ecdysterone’s anabolic effects may be mediated through Estrogen Receptors (ERs), particularly Estrogen Receptor beta (ERβ). …