Chemistry Commons^™

Semester Soil Project, Eden Mcavoy

Natural Sciences Student Research Presentations

What is the topic?

The topic I chose is how surrounding cities affect the minerals and integrity of the surrounding soil and how it can affect humans.

Why this topic?

I chose this topic because I wanted to learn how soil integrity differs from place to place.

Photophysical Properties Of Fluorescent Coumarins, Isaac Jonker, Leah Knoor, George Dulaney, Mark Muyskens

Summer Research

Coumarins are organic molecules that can be found in nature • The base coumarin seen in scheme below can have substituents added to the numbered areas • Changes in substituents cause great change in physical properties • 6 hydroxy 7 amino 4 methyl coumarin(HAMC) and 6,7 dihydroxy coumarin(aesculetin) are focused on

Sivvu - Performing Advanced Chemical Calculations On The Web, Dawson Buist, Coleman Ulry, Douglas A. Vander Griend

Summer Research

SIVVU is an application for calculating the concentration of chemical compounds based on data collected from a spectrometer. Before this summer, the application had gone through 2 iterations. One was a desktop application created in MatLab. The second was a website designed to make the application more accessible. These 2 applications had problems though. The first was slow when performing intensive calculations, and could take several hours. The second was limited in features, making the MatLab version the preferred one to use. The Spring prior, Nathan Wang and Dawson Buist were tasked with building a new website with a modern …

Structure Formation And Coupling Reactions Of Hexaphenylbenzene And Its Brominated Analog, Jacob D Teeter, Paulo S. Costa, Christoph Dobner, Mamun Sarker, Alexander Sinitskii, Axel Enders

Department of Chemistry: Faculty Publications

The on-surface coupling of the prototypical precursor molecule for graphene nanoribbon synthesis, 6,11-dibromo-1,2,3,4-tetraphenyltriphenylene (C₄₂Br₂H₂₆, TPTP), and its non-brominated analog hexaphenylbenzene (C₄₂H₃₀, HPB), was investigated on coinage metal substrates as a function of thermal treatment. For HPB, which forms non-covalent 2D monolayers at room temperature, a thermally induced transition of the monolayer’s structure could be achieved by moderate annealing, which is likely driven by π-bond formation. It is found that the dibrominated carbon positions of TPTP do not guide the coupling if the growth occurs on a substrate at temperatures that …

The Synthesis Of Hamc (6-Hydroxy-7-Amino4-Methylcoumarin), Liam Hoogewerf, Ronald Blankespoor, George Du Laney, Isaac Jonker, Leah Knoor, Mark Muyskens

Summer Research

HAMc is a synthetic trisubstituted coumarin. The image on the left shows the core coumarin structure as well as the numbered substitution locations. This compound has never been reported in the scientific literature before and we are planning on being the first to publish a letter about it in the near future.

Synthesis Of Cysteine-Tyrosine Crosslink, Samuel Braak, Michael Rettstatt, David Benson

Summer Research

Some posttranslationally-modified protein tyrosines, such as the crosslink between cysteine and tyrosine (Cys-Tyr) provide sites for reversible oxidation These crosslinks are formed by an adjacent, redox active metal center when reacted with O2 . While galactose oxidation was among the first documented cys-ty crosslinks, cross linked tyrosine PTM’s have three major functions.

A Strongly Lewis-Acidic And Fluorescent Borenium Cation Supported By A Tridentate Formazanate Ligand, Benjamin D. Katzman, Ryan R. Maar, Daniela Cappello, Madeleine O. Sattler, Paul D. Boyle, Viktor N. Staroverov, Joe B. Gilroy

Chemistry Publications

Lewis acids are highly sought after for their applications in sensing, small-molecule activation, and catalysis. When combined with π-conjugated molecular frameworks, Lewis acids with unique optoelectronic properties can be realized. Here, we use a tridentate formazanate ligand to create a planar, redox-active, fluorescent, and strongly Lewis-acidic borenium cation. We also demonstrate that this compound can act as a colourimetric probe for reactivity.

Corrosion Failure Of Titanium Tubes Of A Heat Exchanger For The Heating Of Dissolving Lye, Valentin Romanovski, Yolanda S. Hedberg, Andrei Paspelau, Vitali Frantskevich, James J. Noël, Elena Romanovskaia

Chemistry Publications

Corrosion of titanium heat exchangers in the processing of sylvinite ore is undesirable from economic, safety, and process sustainability perspectives. Triggered by an industrial case, we investigated the extent of corrosion during simulated contact with sylvinite ore (in dissolving lye) in relevant conditions. Detailed characterization of the failed tubes and corrosion products was carried out to understand the mechanism of failure. Corrosion of titanium (Grade 2) tubes was investigated at room temperature, 60, 70, 80, and 90 °C. After electrochemical and surface morphology analysis, we found that pitting corrosion of the titanium tube material sharply increased above 80 °C in …

Strained Alkyne Polymers Capable Of Spaac Via Ring-Opening Metathesis Polymerization, Rajeshwar Vasdev, Wilson Luo, Kyle Classen, Michael Anghel, Samantha Novoa, Mark S. Workentin, Joe B. Gilroy

Chemistry Publications

The incorporation of strained alkynes into polymers is generally achieved by employing step-growth polymerization methods or post-polymerization reactions. Here, we demonstrate that cyclopropenone-masked strained alkynes are tolerant to chain-growth ring-opening metathesis polymerization, and that, upon post-polymerization photochemical demasking with loss of CO, the strained alkyne group appended to each repeating unit can be used to prepare functional (e.g., fluorescent or redox-active) polymers from a common polymer backbone. We support our claims about polymer transformations throughout the manuscript through the inclusion of a complete set of model reactions and characterization data for analogous molecular species. The findings of this …

Band-Gap Tuning In Acceptor-Donor-Acceptor Boron Difluoride Formazanates, Francis L. Buguis, Michael Anghel, Joe B. Gilroy, Jasveer S. Dhindsa

Chemistry Publications

π-Conjugated molecules with acceptor-donor-acceptor (A-D-A) electronic structures are an important class of materials due to their tunable optoelectronic properties and applications in, for example, organic light-emitting diodes, nonlinear optical devices, and organic solar cells. The frontier molecular orbital energies, and thus band gaps, of these materials can be tuned by varying the donor and acceptor traits and π-electron counts of the structural components. Herein, we report the synthesis and characterization of a series of A-D-A compounds consisting of BF₂ formazanates as electron acceptors bridged by a variety of π-conjugated donors. The results, which are supported by DFT calculations, demonstrate …

Metal Bioaccessibility In Synthetic Bodyfluids–A Way To Considerpositive And Negative Alloying Effects In Hazard Assessments, Yolanda S. Hedberg, Xuying Wang, James J. Noël, Inger Odnevall Wallinder

Chemistry Publications

Hazard classification of metal alloys is today generally based on their bulk content, an approach that seldom reflects the extent of metal release for a given environment. Such information can instead be achieved via bioelution testing under simulated physiological conditions. The use of bioelution data instead of bulk contents would hence refine the current hazard classification of alloys and enable grouping. Bioelution data have been generated for nickel (Ni) and cobalt (Co) released from several stainless steel grades, one low-alloyed steel, and Ni and Co metals in synthetic sweat, saliva and gastric fluid, for exposure periods from 2 to 168 …

New Weldable 316l Stainless Flux-Cored Wires With Reduced Cr(Vi) Fume Emissions Part 2 – Round Robin Creating Fume Emission Data Sheets, Yolanda Hedberg

Chemistry Publications

Welding fumes have been found to be carcinogenic and stainless steel welders may be at higher risk due to increased formation of hexavalent chromium (Cr(VI)). The slag-shielded methods, identified to generate most airborne particles and Cr(VI), would potentially be most harmful. With ever-stricter limits set to protect workers, measures to minimize human exposure become crucial. Austenitic stainless steel flux-cored wires of 316L type have been developed with the aim to reduce the toxicity of the welding fume without compromised usability. Collected particles were compared with fumes formed using solid, metal-cored and standard flux-cored wires. In Part 1, the new wires …

New Weldable 316l Stainless Flux-Cored Wires With Reduced Cr(Vi) Fume Emissions Part 1 – Health Aspects Of Particle Composition And Release Of Metals, Yolanda Hedberg

Chemistry Publications

Welding fumes have been found to be carcinogenic and stainless steel welders may be at higher risk due to increased formation of hexavalent chromium (Cr(VI)). The slag-shielded methods, identified to generate most airborne particles and Cr(VI), would potentially be most harmful. With ever-stricter limits set to protect workers, measures to minimize human exposure become crucial. Austenitic stainless steel flux-cored wires of 316L type have been developed with the aim to reduce the toxicity of the welding fume without compromised usability. Collected particles were compared with fumes formed using solid, metal-cored and standard flux-cored wires. The size, morphology and composition were …

Energetic Topography Of Hydroxyl Rotation In Aesculetin, George Du Laney, Mark Muyskens

Summer Research

To find barriers to hydroxyl rotation in neutral aesculetin and in the anion, potential energy surfaces needed to be generated for both using Gaussian 16 software via WebMO to do Coordinate Scans. These involved optimizing geometry and calculating energy at every 4.5° interval in a 360° rotation of each hydroxyl. In the gas phase, we used the B3LYP/6-31G(d) method. In the aqueous phase, we added SMD/UAKS solvation model

Synthesis, Characterization, And Catalytic And Biological Activities Of A Mixed-Ligand Cobalt(Ii) Bipyridyl/Diphenylazodioxide Complex, Kylin A. Emhoff

ETD Archive

Transition metal complexes have immense importance in the pharmaceutical industry. These types of complexes can be useful catalysts in the synthesis of medicinal compounds and can act as anticancer drugs. In these pharmaceutical applications, 1st-row transition metal-containing complexes offer certain advantages compared to their 2nd and 3rd-row transition metal counterparts. Our motivation was to investigate pharmaceutical applications of transition metal complexes containing both a 1st-row transition metal and unusual ligands to expand the knowledge of a class of complexes that could potentially be beneficial in the pharmaceutical industry. A class of rare ligands that piqued our interest was that of …

Synthesis And Functionality Study Of Novel Biomimetic N-Glycan Polymers, Ka Keung Chan

ETD Archive

Cell surface carbohydrates, existing as glycoproteins, glycolipids, and proteoglycans, often serve as receptors to relay critical interactions and trigger crucial signaling events in many biological processes. Glycan recognition is deeply involved in immune surveillance, response and can provide abundant opportunities to discover the molecular mechanism and potential therapeutic or diagnostic approaches for various diseases. Many useful functionalities can be achieved by developing synthetic glycans to mimic natural carbohydrates. Over the recent decade, glycopolymers, polymers with pendant carbohydrates, have continued to prove usefulness in various applications across different scientific disciplines. For example, glycopolymers can be used as biomimetic glycoligands to study …

The Photophysical Properties Of Grevillone (6- Hydroxycoumarin) And Methylgrevillone (6-Hydroxy-4- Methyl-Coumarin), Leah H. Knoor, Hyemin Seo, Liam Hoogewerf, George Du Laney, Isaac Jonker, Mark Muyskens

Summer Research

Grevillone (L) and methylgrevillone (R) are two of many natural compounds called coumarins. Coumarins are useful as antioxidants, antivirals, and more.

Thermal Atomic Layer Deposition Of Titanium Nitride Films: Synthesis And Characterization Of Novel Titanium Precursors, Anuththara Chalani Upeksha Abesinghe Arachchige

Wayne State University Dissertations

Due to the continuous miniaturization of microelectronic devices, robust deposition techniques are required which can provide continuous and conformal thin films even in high aspect ratio structures. Atomic Layer Deposition (ALD) is an excellent choice of deposition technique as it is capable of providing perfect film coverage. Because of its self-limited growth mechanism, ALD can afford sub-nanometer thickness control. Precursors used in ALD should be volatile, thermally stable at the deposition temperature, and highly reactive towards the co-regent. Traditionally, ALD has been used to grow metal oxide films. However, the microelectronics industry now demands ALD for metals and metal nitrides. …

Analysis Of Lubricants At Trace Levels Using Infrared Spectroscopy, Tanmai Bandarupalli

Honors Undergraduate Theses

Analysis of trace evidence involved in sexual assault investigations holds considerable potential as a newer avenue of identification when bulk, larger evidence is not found or unreliable. Trace analysis of forensic materials involves common findings such as strands of hair, residues left on clothing, shards of paint or glass, etc. In recent research focused on the analysis of trace materials found as evidence in a sexual assault, there has been promise in condom and bottled lubricant classification based on their chemical profiles that can provide an associative link in an investigation. Few studies have considered the examination of lubricant evidence …

Elucidating The Interfacial Interactions Between Biomacromolecules And Functionalized Pamam-Based Materials For Biomedical Applications, Briana L. Simms

Electronic Theses and Dissertations

Polyamidoamine (PAMAM) is a dendrimer structure with a polypeptide backbone architecture. It has been utilized in a wide variety of applications but has found significant utility in biomedical applications. PAMAM has been studied extensively due to its globular structure that is similar to proteins found in the body. The branched architecture and overall size provide a favorable environment for host-guest interactions and allows for the loading of small molecules for therapeutic delivery. Although PAMAM has many benefits for use in the area of therapeutic delivery, a primary area of concern for this molecular architecture is the terminal amines that serve …

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

Electronic Theses and Dissertations

As optical measurements have grown increasingly more precise with the rage of the technological revolution, the computer’s ability has matched in computing speed to produce accurate quantum chemical predictions of systems ranging from the atomic to multi-molecular levels. Application of spectroscopy in the investigation of the structure and function of biomolecules and their building blocks has a rich literature background, with applications among cancer research, charge transfer and energy storage, and drug design and delivery. The focus of this dissertation is thus a quantum chemical and/or spectroscopic investigation of a series of biomolecules which include the vibrational band positions of …

Carbon Dioxide And Particulate Matter Concentration On Hampton Roads Air Quality, Gregory Hubbard

OUR Journal: ODU Undergraduate Research Journal

Hampton Roads has been a maritime crossroads for the last 400 years. Industrialization has impacted the coastal region for the last 250 years. The expansion of the Port of Virginia in 2019 has created dense traffic in the region resulting in impacts to air quality. Two waste products that affect humans are particulate matter and carbon dioxide. Both respective emissions can cause adverse effects on humans, such as asthma, some lung cancers, and other respiratory distress. Scientists and health practitioners are studying the effects of particulate matter on human health. Hampton Roads, in particular, because of its unique location on …

Toward Understanding Large Deflection Bending Of 3d Printed Ninjaflex®, Lucas K. Gallup, Mohamed Trabia, Brendan O’Toole, Youssef Fahmy

College of Engineering Faculty Research

NinjaFlex® is a thermoplastic polyurethane filament that is primarily used for 3D printing. Aside from its low cost and availability, this material is highly flexible, durable, and has a low coefficient of friction. While NinjaFlex® was introduced approximately two decades ago, a comprehensive understanding of the filament’s mechanical behavior, especially in the context of the effect of 3D printing, is still lacking. The goal of this research is to gain a better understanding of the behavior of 3D printed NinjaFlex® specimens when subjected to bending loads that cause large deflection. A series of experiments were conducted to test the bending …

Using Augmented Reality As A Tool For Distance Learning Of Vsepr Theory, Isabelle Lopez

Scripps Senior Theses

Distance learning poses challenges in most academic settings, especially at the undergraduate laboratory level. Improving this mode of learning diminishes the impact of current events on young scientists’ development of foundational laboratory concepts. Our work explores the use of augmented reality (AR) in a laboratory setting. We developed a completely virtual valence shell electron pair repulsion (VSEPR) theory lab activity consistent with the goals of Keck Science Department’s Introduction to Chemistry course’s in-person VSEPR lab activity. We were able to maintain a hands-on learning experience for students while using a tool many students already own: an iPhone as an alternative …

Characterization Of Microbial Populations In Landfill Leachate, Umut M. Bicim, Hanna Fulford, Lori A. Hoagland, Alejandro R. Sanchez, Amisha D. Shah, Inez Hua

Discovery Undergraduate Interdisciplinary Research Internship

In the United States, municipal solid waste (MSW) landfills remain a potential mining source of recoverable materials, including but not limited to critical, precious, and rare earth metals found in electronic waste. This is possible due to collectible leachate that filters through MSW landfills, carrying metals, nutrients of value, and microbes—some of which may hold key metal bioleaching properties—within. The purpose of this study is to begin analyzing leachate from MSW landfills in the American Midwest to understand the composition of microbial communities within these landfills. Landfill leachate samples sourced in northern Indiana, representing the landfill process during unique times …

Absorbent Household Materials For The Collection Of Ignitable Liquid Residues From Surfaces Of Varying Porosity, Jessica Carlotti

Online Theses and Dissertations

Ignitable liquids (ILs) are used as accelerants to burn items at a faster rate and the presence of an IL indicates that arson has occurred. Upon arrival to an arson scene, fire investigators access the scene and collect substrates containing ILs. The substrates, such as concrete and wood, are removed from the scene by methods that are time consuming, and require heavy machinery and tools. The evidence is transported in air-tight containers to the laboratory where analysts identify the chemical classification of the IL using gas chromatography mass spectrometry (GC-MS). In this work, readily available absorbent household materials such as …

Review On Carbon Dioxide Utilization For Cycloaddition Of Epoxides By Ionic Liquid-Modified Hybrid Catalysts: Effect Of Influential Parameters And Mechanisms Insight, Jimmy Nelson Appaturi, Rajabathar. Jothi Ramalingam, Muthu Kumaran Gnanamani, Govindasami Periyasami, Prabhakarn Arunachalam, Rohana Adnan, Farook Adam, Mohammed D. Wasmiah, Hamad A. Al‐Lohedan

Center for Applied Energy Research Faculty and Staff Publications

The storage, utilization, and control of the greenhouse (CO₂) gas is a topic of interest for researchers in academia and society. The present review article is dedicating to cover the overall role of ionic liquid-modified hybrid materials in cycloaddition reactions. Special emphasis is on the synthesis of various cyclic carbonate using ionic liquid-based modified catalysts. Catalytic activity studies have discussed with respect to process conditions and their effects on conversion and product selectivity for the reaction of cycloaddition of CO₂ with styrene oxide. The reaction temperature and the partial pressure of CO₂ have found to play …

Analysis Of The Role Of Sgs1p In Repair Of Double-Strand Dna Breaks In Saccharomyces Cerevisiae, Beth Wasserman

Senior Honors Theses and Projects

Mis-repair of DNA double-stranded breaks (DSB) can result in genomic rearrangements and cancer. Sgs1p is a helicase that unwinds DNA for DSB repair. To better understand its role in break repair, I analyzed the frequency of various types of DSB repairs in yeast cells with the mutation sgs1-FD. Given this mutation disrupts an interaction between Sgs1p and a critical protein, Rad51p, I hypothesized mutant cells would have more error-prone repair than high fidelity canonical BIR repair. Genome sequence and chromosome size were examined in sgs1-FD yeast cells that underwent DSB repair. No difference was found in the frequency of …

How Does Atg 10 Regulate The Autophagic Process? An Investigation Into The Atg12-5 Conjugation Pathway, Ayanda Brydie

Senior Honors Theses and Projects

Autophagy is a highly conserved eukaryotic cellular recycling process in which the degradation of proteins and cytoplasmic organelles occurs to recycle broken down products throughout the cell. This process plays a critical role in cell survival and maintenance. Once initiated by either nutrient deficiency (bulk autophagy) or recognition of damaged organelles (selective autophagy) this process is mediated by autophagy-related proteins (Atg proteins). The Atg proteins function to form a double-membrane vesicle, the autophagosome, to target part of the cytoplasm and deliver it to the vesicle for breakdown. In bulk autophagy, the presence of these proteins at the phagophore assembly site …

Purification And Activity Analysis Of A Highly Active Recombinant Catalase From Psychrophilic Bacterium Psychrobacter Cryohaloentis, Andrew Stewart

Honors Program Theses

To date, the genus Psychrobacter includes 37 recognized bacterial species isolated from different sources ranging from Siberian permafrost (P. cryohalolentis) to seal feces (P. lutiphocae). Due to its diverse ecological niches, several species belonging to the genus have different enzymatic activities with potential applications in bioremediation and the food industry. In this study, a bioprospecting approach was used to perform a in depth analysis of a Psychrobacter-like bacterial strain isolated from goose feces (designated as Psychrobacter unknown). The phylogenetic analysis of 16S rRNA gene and homologous sequence studies suggest that the strain may represent a novel species of the Psychrobacter …