Chemistry Commons^™

Bbt Side Mold Assy, Bill Hemphill

STEM Guitar Project’s BBT Acoustic Kit

This electronic document file set covers the design and fabrication information of the ETSU Guitar Building Project’s BBT (OM-sized) Side Mold Assy for use with the STEM Guitar Project’s standard acoustic guitar kit. The extended 'as built' data set contains an overview file and companion video, the 'parent' CADD drawing, CADD data for laser etching and cutting a drill &/or layout template, CADD drawings in AutoCAD .DWG and .DXF R12 formats of the centerline tool paths for creating the mold assembly pieces on an AXYZ CNC router, and support documentation for CAM applications including router bit specifications, feeds, speed, multi-pass …

Investigating Student Engagement In General Chemistry Active Learning Activities Using The Activity Engagement Survey (Aces), Nicole Naibert, Jack Barbera

Chemistry Faculty Publications and Presentations

Investigating student engagement in active learning activities could provide valuable insight into variations of student learning outcomes when active learning is included in a course. This study sought to explore students’ engagement in relation to active learning activities incorporated in a general chemistry lecture course using the Activity Engagement Survey (AcES). The AcES can be used to simultaneously assess students’ overall engagement, as well as dimensions above and beyond overall engagement including their combined behavioral/cognitive engagement, emotional engagement, and social engagement. As students’ engagement may be influenced by aspects related to the learning environment and context, differences in engagement were …

Synthesis And Antibacterial Testing Of Novel Thiosulfonate Compounds, Lindsay I. Blume

USF Tampa Graduate Theses and Dissertations

Methicillin-resistant Staphylococcus aureus (MRSA) and vancomycin-resistant Staphylococcus aureus (VRSA) are increasing concerns in the medical community. In addition to the threat of Staphylococcus aureus, the increase in number and severity of infections caused by other antibiotic-resistant bacteria is problematic to human health, particularly among the ESKAPE pathogens (Enterococcus faecium, Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumannii, Pseudomonas aeruginosa, and Enterobacter). The antibiotics like the penicillins and cephalosporins used commonly to treat MRSA, VRSA, and ESKAPE pathogens have continued to decline in the effectiveness. Our laboratory has developed a number of new families of anti-MRSA and anti-VRSA antibacterial compounds. In this thesis, …

The Synthesis Of Deuterated Isohumulones For Use As Internal Standards In Lc-Ms Stable Isotope Dilution Assays, Patrick Gleason, Bruce Hamper Dr.

Undergraduate Research Symposium

Humulones are compounds that are prevalent in the hops flowers (Humulus Lupulus) used in beer brewing. These compounds undergo isomerization during the brewing process, and the resulting isohumulones are considered to be the primary contributors to the bitter flavors present in beer. As such, quantifying their presence, and the relative presence of their homologs(n-, co-, ad-), is of great importance in the characterization of beer. In this effort, one of the homologs of humulone (co) was isolated before being subsequently isomerized and deuterated for the purpose of analyzing beer by stable isotope dilution assay mass spectrometry(SIDA-MS). The addition of this …

Synthesis, Physicochemical Characterization, And Catalytic Evaluation Of Fe3+-Containing Ssz-70 Zeolite, Christopher M. Lew, Cong Yan Chen, Gary J. Long, Fernande Grandjean, Andrew S. Ichimura, Dan Xie, Nicolás A. Grosso-Giordano, Khetpakorn Chakarawet, Howard S. Lacheen, Kurt O. Jensen, Abraham Martinez, Alexander Katz, Bi Zeng Zhan, Stacey I. Zones

Chemistry Faculty Research & Creative Works

Whereas one-dimensional, 10-membered ring zeolites are typically used for hydroisomerization, Fe3⁺-containing SSZ-70 (Fe-SSZ-70) shows remarkable isomerization selectivity for a zeolite containing 12- and partially blocked 14-membered rings, in addition to 10-membered rings. Fe-SSZ-70 was compared to Al3⁺-containing SSZ-70 (Al-SSZ-70) in constraint index and n-decane hydrocracking tests. Fe-SSZ-70 exhibited a 74% total isomer yield (64% yield of monobranched isomers and 10% cracking yield) at 85% conversion compared to 49% total isomer yield (41% yield of monobranched isomers and 36% cracking yield) for Al-SSZ-70 at the same conversion. The selectivity to isomerization is attributed to the weaker acid …

Noncanonical Amino Acid Mutagenesis In Response To Recoding Signal-Enhanced Quadruplet Codons, Yan Chen, Xinyuan He, University Of Nebraska-Lincoln, Kun Liu, Tian Gao, Wei Niu, Jiantao Guo

Department of Chemistry: Faculty Publications

While amber suppression is the most common approach to introduce noncanonical amino acids into proteins in live cells, quadruplet codon decoding has potential to enable a greatly expanded genetic code with up to 256 new codons for protein biosynthesis. Since triplet codons are the predominant form of genetic code in nature, quadruplet codon decoding often displays limited efficiency. In this work, we exploited a new approach to significantly improve quadruplet UAGN and AGGN (N = A, U, G, C) codon decoding efficiency by using recoding signals imbedded in mRNA. With representative recoding signals, the expression level of mutant proteins containing …

Collaborative Research: Surface-Specific Aerosol Chemistry: Direct Observations, Kinetics, And Environmental Impact, Yi Rao

Funded Research Records

No abstract provided.

Optical Measurements On A Budget: A 3d-Printed Ellipsometer, Matthew Mantia, Teresa J. Bixby

Chemistry Department Faculty Articles

Ellipsometry is an optical analysis technique that is useful for characterizing the physical properties of a thin-film system. Light reflected from a sample surface undergoes a change in polarization due to phase delay and anisotropic reflection. This enables one to perform non-destructive measurements of film thickness, surface roughness, refractive index, and other optical constants. Ellipsometric techniques are particularly convenient for characterizing coatings or films in the semiconductor and optics industries. However, these techniques may be inaccessible to undergraduate students and educators due to the prohibitive cost of ellipsometers and similar instrumentation. In response to this roadblock, we describe the construction …

College Of Natural Sciences Newsletter, May & June 2022, College Of Natural Sciences

College of Natural Sciences Newsletters and Reports

Volume 3, Issue 4

Page 1 Dean's Message
Page 2 Awards and Recognition
Page 3-4 The path to a Doctorate Degree
Page 4 American Indian Student Center Native Graduate Honoring Ceremony
Page 5 Celebrating the lives of those who touched the College
Page 6 Media coverage of CNS
Page 7 Open PRAIRIE
Page 8-10 CNS Graduation Festivities
Page 11-14 Spring 2022 Dean's List
Page 16 Richard and Janice Vetter Endowed Professorship in Biotechnology.position

Analysis Of The Zebrafish Olfactory System Using Immunohistochemistry And Enhanced Techniques Of Desorption Electrospray Ionization Mass Spectrometry (Desi-Ms), Tara Lynn Maser

Dissertations

Desorption electrospray ionization (DESI-MS) is an ambient ionization technique where the sample is analyzed directly from a surface with very minimal sample preparation under ambient conditions and follows ESI-like ionization mechanisms. DESI-MS has proven powerful in analyzing or imaging lipids and other small molecules directly from biological samples and even allows for subsequent histological staining and analyses. However, DESI-MS is less widely used for protein analysis due to a lack of sensitivity and the complex diversity of proteins in biological samples.

A major goal of this research has been to obtain new neurobiological knowledge by combining histology and mass spectrometry …

Equilibrium And Dynamic Surface Tension Behavior In Colloidal Unimolecular Polymers (Cup), Ashish Zore, Peng Geng, Michael R. Van De Mark

Chemistry Faculty Research & Creative Works

Studies of the interfacial behavior of pure aqueous nanoparticles have been limited due tothe difficulty of making contaminant-free nanoparticles while also providing narrow size distribu-tion. Colloidal unimolecular polymers (CUPs) are a new type of single-chain nanoparticle with a particle size ranging from 3 to 9 nm, which can be produced free of surfactants and volatile organic contents (VOCs). CUP particles of different sizes and surface charges were made. The surface tension behavior of these CUP particles in water was studied using a maximum bubble pressure tensiometer. The equilibrium surface tension decreased with increasing concentration and the number of charges present …

Highly Swellable Hydrogels Prepared From Extensively Oxidized Lignin, Jihyeon Hwang, Daniella V. Martinez, Estevan J. Martinez, Gift Metavarayuth, Dustin Goodlett, Qi Wang, Mitra Ganewatta, Michael S. Kent, Chuanbing Tang

Faculty Publications

Biopolymers such as lignin are gaining renewed appeal due to the need for sustainable materials. Herein, we used chelator-mediated Fenton (CMF) chemistry to oxidize Kraft lignin to develop sustainable super absorbent materials. The CMF chemistry adds oxygen, opens aromatic rings and increases COOH content, producing hydrophilic lignin without depolymerization. UV absorption, molecular weight, elemental analysis, and titration were used to study the chemical compositions of CMF-processed lignin. Then the chemically modified hydrophilic lignin was used to produce lignin-based hydrogels utilizing an aqueous polymerization and cross-linking reaction that enabled tunable properties. The resulting lignin hydrogels absorbed water up to 96% and …

State-To-State Rate Coefficients For Hcs+In Rotationally Inelastic Collisions With H2at Low Temperatures, Otoniel Denis-Alpizar, Ernesto Quintas-Sánchez, Richard Dawes

Chemistry Faculty Research & Creative Works

HCS⁺ ions have been detected in several regions of the interstellar medium (ISM), but an accurate determination of the chemical-physical conditions in the molecular clouds where this molecule is observed requires detailed knowledge of the collisional rate coefficients with the most common colliders in those environments. In this work, we study the dynamics of rotationally inelastic collisions of HCS⁺ + H₂ at low temperature, and report, for the first time, a set of rate coefficients for this system. We used a recently developed potential energy surface for the HCS⁺-H₂ van der Waals complex and …

Understanding Rapid Intercalation Materials One Parameter At A Time, Wessel Van Den Bergh, Morgan Stefik

Faculty Publications

Demand for fast, energy-dense storage drives the research into nanoscale intercalation materials. Nanomaterials accelerate kinetics and can modify reaction path thermodynamics, intercalant solubility, and reversibility. The discovery of intercalation pseudocapacitance has opened questions about their fundamental operating principles. For example, are their capacitor-like current responses caused by storing energy in special near-surface regions or rather is this response due to normal intercalation limited by a slower faradaic surface-reaction? This review highlights emerging methods combining tailored nanomaterials with the process of elimination to disambiguate cause-and-effect at the nanoscale. This method is applied to multiple intercalation pseudocapacitive materials showing that the timescales …

The Hyperporphyrin Concept: A Contemporary Perspective, Carl C. Wamser, Abhik Ghosh

Chemistry Faculty Publications and Presentations

The Gouterman four-orbital model conceptualizes porphyrin UV–visible spectra as dominated by four frontier molecular orbitals─two nearly degenerate HOMOs and two exactly degenerate LUMOS under D4h symmetry. These are well separated from all the other molecular orbitals, and normal spectra involve transitions among these MOs. Unusual spectra occur when additional orbitals appear in this energy range, typically as a consequence of the central coordinated atom. For example, metals with empty d orbitals in a suitable energy range may lead to charge transfer from porphyrin (ligand) to metal, that is, so-called LMCT transitions. Metals with filled p or d orbitals may …

Biomass Estimation Of Marine Biofilms On Plastic Surfaces, Kian Banihashemi, Fernando Javier Gil

Biological Sciences

Plastics have become a major source of marine pollution, which threatens food safety and quality, human health, and marine ecosystems. Due to the drastic negative effects of plastics in a marine environment, alternative biodegradable plastics are being generated that are more eco-friendly and have less environmental impact. Though some of these plastics are known to biodegrade, the process of degradation for bioplastics has not been heavily studied in a marine environment. This pilot project sought to both quantify the process of biodegradation and compare across different methods for effectiveness of biomass estimation, which serves as an indicator of biodegradation. Plastics …

Comprehensive Review Of Polymer And Polymer Gel Treatments For Natural Gas-Related Conformance Control, Ali Al Brahim, Baojun Bai, Thomas P. Schuman

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Conformance problems often exist in natural gas-related activities, resulting in excessive water production from natural gas production wells and/or excessive natural gas production from oil production wells. Several mechanical and chemical solutions were reported in the literature to mitigate the conformance problems. Among the chemical solutions, two classes of materials, namely polymer gels and water-soluble polymers, have been mostly reported. These systems have been mainly reviewed in several studies for their applications as water shutoff treatments for oil production wells. Natural gas production wells exhibit different characteristics and have different properties which could impact the performance of the chemical solutions. …

Equilibrium And Dynamic Surface Tension Behavior In Colloidal Unimolecular Polymers (Cup), Ashish Zore, Peng Geng, Michael R. Van De Mark

Chemistry Faculty Research & Creative Works

Studies of the interfacial behavior of pure aqueous nanoparticles have been limited due tothe difficulty of making contaminant-free nanoparticles while also providing narrow size distribu-tion. Colloidal unimolecular polymers (CUPs) are a new type of single-chain nanoparticle with a particle size ranging from 3 to 9 nm, which can be produced free of surfactants and volatile organic contents (VOCs). CUP particles of different sizes and surface charges were made. The surface tension behavior of these CUP particles in water was studied using a maximum bubble pressure tensiometer. The equilibrium surface tension decreased with increasing concentration and the number of charges present …

Editorial: Engineering Nucleic Acids-Based Functional Nanomaterials, Nanodrugs, And Biosensors, Jabrane Jouha, Fengli Li, Wen-Ta Su, Chenguang Fan, Dayong Yang, Hai Xiong

Chemistry & Biochemistry Faculty Publications and Presentations

Editorial on the Research Topic: Engineering Nucleic Acids-Based Functional Nanomaterials, Nanodrugs, and Biosensors

Investigating The Mechanisms Driving Mercury Reduction And Emissions In Soil, Hamil Patel

Student Theses

The water-induced emission of mercury from soil has been studied, but a complete understanding of the mechanisms driving mercury reduction and emission in soil has not been reached. The current understanding is an immediate expulsion of soil gaseous mercury upon water treatment and an upward transport of dissolved soil ionic mercury as the water evaporates. We analyzed emissions from several types of samples using various methods to further our understanding on the mechanisms involved. Light-induced emissions from aqueous samples of humic acid (HA) spiked with mercury (II) chloride (HgCl₂) showed that at higher concentrations of HA, less mercury …

Biomimetic And Medical Applications Of Hollow Nanoscale Structures, Justin Fang

Dissertations, Theses, and Capstone Projects

Materials whose structure incorporates nanoscale void spaces have multiple possible uses, whether in a bulk form or as individual particles, due to the combination of high surface area ratios and nanoscale material properties. This thesis will explore a few of these possibilities, concentrating on potential biomimetic and biomedical applications, for two materials: metal- organic frameworks and superparamagnetic iron oxide nanocages.

Metal-organic frameworks consist of metal ions such as Cu2+ which have highly porous lattice structures allowing them to absorb and release guest molecules such as peptides like diphenylalanine; this stored chemical energy can be turned into kinetic energy and used …

Development Of Optical Nanomaterial For Enhanced Cerenkov Imaging, Qize Zhang

Dissertations, Theses, and Capstone Projects

Cancer is a significant public health problem worldwide and is the second leading cause of death in the United States. Imaging has increasingly been used over the last two decades to improve the diagnosis and guidance of tumor tissue removal surgery. Among the most widely used techniques for in vivo imaging are planar and tomographic fluorescence imaging and bioluminescence imaging. Despite their utility, these techniques are primarily restricted to preclinical use. Factors that have prevented translation from the bench to the bedside include depth-penetration considerations, regulatory issues, and toxicity. A recent development in nuclear imaging has been the ability to …

Stability Of Polyethylene Glycol-Coated Copper Nanoparticles And Their Optical Properties, Deborah Okyere, Ryan H. Manso, Xiao Tong, Jingyi Chen

Chemistry & Biochemistry Faculty Publications and Presentations

Oxidation is a corrosion reaction where the corroded metal forms an oxide. Prevention of oxidation at the nanoscale is critically important to retain the physicochemical properties of metal nanoparticles. In this work, we studied the stability of polyethylene glycol (PEG) coated copper nanoparticles (PEGylated CuNPs) against oxidation. The freshly-prepared PEGylated CuNPs mainly consist of metallic Cu which are quite stable in air although their surfaces are typically covered with a few monolayers of cuprous oxide. However, they are quickly oxidized in water due to the presence of protons that facilitate oxidation of the cuprous oxide to cupric oxide. PEG with …

Algorithm 1025: Paryopt: A Software For Parallel Asynchronous Remote Bayesian Optimization, Balaji Sesha Sarath Pokuri, Alec Lofquist, Chad Risko, Baskar Ganapathysubramanian

Chemistry Faculty Publications

PARyOpt is a Python based implementation of the Bayesian optimization routine designed for remote and asynchronous function evaluations. Bayesian optimization is especially attractive for computational optimization due to its low cost function footprint as well as the ability to account for uncertainties in data. A key challenge to efficiently deploy any optimization strategy on distributed computing systems is the synchronization step, where data from multiple function calls is assimilated to identify the next campaign of function calls. Bayesian optimization provides an elegant approach to overcome this issue via asynchronous updates. We formulate, develop and implement a parallel, asynchronous variant of …

Suppressing Disorder-Order Phase Transition Of Gd2zr2o7 Pyrochlore By Dy3+ Doping And Their Impact On Luminescence, Santosh K. Gupta, S. Nigam, Jose P. Zuniga, Yuanbing Mao

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

The functionality of the Gd2Zr2O7 matrix is dictated by ordering at the cationic lattice (pyrochlore or defective fluorite) and associated local manifestations. In this work, we have synthesized nano and bulk undoped Gd2Zr2O7 (GZO) and Gd2Zr2O7:Dy3+ (GZOD) by molten salt synthesis adopting a crystal engineering approach and investigated their impact on photoluminescence properties. DFT calculations along with the higher intensity of yellow emission in the bulk GZOD confirm that the presence of Dy3+ is energetically favorable in defect fluorite structure compared to ordered pyrochlore counterpart. Increase/adjustments in the Zr–O bond distances in Dy3+ surroundings facilitate the release of local strain/stress …

The Design, Synthesis, And Characterization Of Copper-Based Metal-Organic Frameworks For Their Investigation Against Cancer And Their Effect As Anti-Microbial Agents, Sandy Elmehrath

Dissertations

A wide range of nanomaterials have been developed for biomedical applications, such as drug delivery, biomedical imaging, and sensors. Nanomaterials can include nanoparticles (NPs) and nanofibers with various dimensions that are both natural and synthetic. A successful nanomaterial, for use in biological applications, is characterized by its biocompatibility, biodegradability, intrinsic high surfaces area, high interconnected porosity, and functionality. These features were achieved with the development of metal-organic framework (MOF) nanostructures. MOFs are assemblies of metal ions and organic linkers that are built into different geometries and can exist in all dimensions (up to 3-D). The choice of linkers with well-defined …

Atmospheric Mercury Chemistry: Detection, Kinetics, And Mechanism, Na Mao

Dissertations

The presence of mercury in the environment is of global concern due to its toxicity. The atmosphere is an important transient reservoir for mercury released by human activities and natural sources. The knowledge of atmospheric mercury chemistry is critical for understanding the global biogeochemical cycle. In the atmosphere, mercury primarily exists in three forms: gaseous elemental mercury (GEM), gaseous oxidized mercury (GOM), and particulate-bound mercury (PBM). Over the last decade, the existing knowledge of mercury cycle has dramatically changed: (1) There has been increasing evidence that current detection methods do not accurately quantify gaseous oxidized mercury and a technique which …

Development Of Novel Mass Spectrometric Methods For Reaction Screening, Oligosaccharide Detection, And Nitrosamine Quantitation, Qi Wang

Dissertations

Benefitting from its high detection sensitivity and specificity, mass spectrometry (MS) has become a powerful technique in academia and industry. The aim of this dissertation study is to develop new mass spectrometric methods for organic reaction screening, detection of oligosaccharide/glycan in complex matrices, and nitrosamine absolute quantitation.

First, an electrochemistry/mass spectrometry (EC/MS) platform is built to generate an N-cyclopropylaniline radical cation electrochemically and to monitor its reactivity toward alkenes, which leads to the discovery of a new redox neutral reaction of intermolecular [3 + 2] annulation of N-cyclopropylanilines and alkenes. Net redox neutral electrosynthesis is quite rare in synthetic organic …

Bodipy-Based Light-Responsive Materials, Zhaoxiong Wan

Dissertations

The energy required for life on our planet is provided by light. In science, light is an important and powerful tool for measuring and modifying substances. For example, under the effect of illumination, light-responsive materials can change their physical and chemical properties. Photochemistry is a branch of research to study the effects of light irradiation on chemical structures and reactions. Some photochemical changes could lead to chemical bond dissociation (such as in photosynthesis) and structure isomerization (such as in the retina). Photochemistry has a strong relationship with human lives and it is essential in many ways. Among photophysics, fluorescence emission …

Formation Of Gaseous Peptide Ions From Electrospray Droplets: Competition Between The Ion Evaporation Mechanism And Charged Residue Mechanism., Elnaz Aliyari, Lars Konermann

Chemistry Publications

The transfer of peptide ions from solution into the gas phase by electrospray ionization (ESI) is an integral component of mass spectrometry (MS)-based proteomics. The mechanisms whereby gaseous peptide ions are released from charged ESI nanodroplets remain unclear. This is in contrast to intact protein ESI, which has been the focus of detailed investigations using molecular dynamics (MD) simulations and other methods. Under acidic liquid chromatography/MS conditions, many peptides carry a solution charge of 3+ or 2+. Because of this pre-existing charge and their relatively small size, prevailing views suggest that peptides follow the ion evaporation mechanism (IEM). The IEM …