Chemistry Commons^™

The Chemistry Of Fermentation As It Relates To The Art Of Winemaking, Olivia Cochran

Symposium of Student Scholars

The process of fermentation can be traced back to the beginning of civilization. Countries, over time, have learned this scientific process and turned it into the backbone of their culture through the making and manufacturing of wine. While climate-change and global-warming have impacted the commercial marketability of wine, the scientific process has remained constant. This undergraduate project analyses the production, fermentation and analytical approach of producing high quality wine. Beginning from the picking of grapes, to testing the acidity through a series of titrations, winemaking is truly where science and art collide.

Energy Requirements For Abiotic Production Of Phosphorous Compounds At The Ice-Schreibersite Interface, Lindsay M. Hicks

Symposium of Student Scholars

Energy Requirements for Abiotic Production of Phosphorous Compounds at the

Ice-Schreibersite Interface

The Abbott-Lyon Lab is investigating the chemistry at the interface of simple ices and a meteoritic mineral analogue. Phosphorous is a key component of numerous biomolecules necessary for life. Lack of an abundance of biologically accessible mineral sources of phosphates on Earth, termed “The Phosphorous Problem,” has led some origin-of-life scientists to look to extraterrestrial sources like meteoritic metal phosphides as possible sources of available phosphates. Schreibersite (Fe₂NiP) is a common mineral in iron meteorites and a plausible source of biologically accessible phosphorous. This study will …

Using Eye-Tracking Data To Determine What Biochemistry Students Attend To When Completing A Revised Three-Dimensional Modeling Activity, Hailey Knoeferl

Symposium of Student Scholars

In biochemistry, three-dimensional models are being used to help students comprehend advanced topics within the subject. Because a greater cognitive load is often related to three-dimensional models, learning what raises the cognitive load is critical. From there, measures can be taken to help lower the cognitive load and make the material easier for students to understand. To understand cognitive load in relation to models, students were presented with three-dimensional serine protease models and their substrates and asked to match the clear surface plate to the backbone, and then the substrate to the surface plate. On the substrates, students were asked …

Investigation Of Chemistry At Ice-Mineral Interfaces Of Phosphorus-Containing Meteorites Analogues, Kimberly Meyberg

Symposium of Student Scholars

The search for life outside of Earth has raised questions about how life began have intrigued origin-of-life researchers, such as the incorporation of phosphorus into biomolecules. Phosphorus exists on Earth mostly as phosphate, PO₄^3-, which is insoluble and unreactive in the geochemical conditions of the early Earth. The challenge of incorporating phosphorus into biomolecules is known as the “phosphorus problem,” prompting investigations of reactive phosphorus species delivered to the prebiotic Earth. Phosphorus-laden meteorites delivered schreibersite (Fe,Ni)₃P, a possible mineral source of phosphorus recognized for its redox chemistry potential and observed reactivity with aqueous …

Chemical Industrial Safety And Environmental Considerations, James Stewart

Symposium of Student Scholars

Chemical Industrial Safety and Environmental Considerations

James Stewart

Department of Chemistry and Biochemistry, Kennesaw State University, Kennesaw, GA, 30144

Workplace safety, particularly in the chemical manufacturing and treatment industries, is always at the core of any competent business strategy of any modern industrially- or manufacturing-focused company. Due to the inherent and sometimes readily apparent nature of chemical hazards, safety in these industries has been, by necessity, a practical consideration since their inception. However, only relatively recently has it developed into a significant philosophical focus of businesses, regulatory agencies such as OSHA, and associated non-regulatory bodies such as the U.S. Chemical …

Electrochemical And Spectroscopic Characterization Of Cerium Salts And Nanoceria Material, Emily Velarde, Wei Zhou

Symposium of Student Scholars

The nanoscale form of cerium oxide, nanoceria (nano-CeO_x), has drawn great attention in recent years in electrochemical, nanomaterial research and medicinal studies due to its antibacterial properties, UV absorption, and its biochemical function as possible radical scavenger. Many new synthesis methods have achieved uniform and biocompatible nanoceria particles, and our lab has created cerium oxide particles that shows UV/Vis. absorption and X-ray patterns similar to the commercial nanoceria and nanoceria made in other research laboratories with novel synthetic methods.

This study focuses on charactering and comparing electrochemical properties of cerium inorganic salts and synthesized nanoceria. Preliminary results …

Bioanalytical Determination Of Glucose Concentration In Sports Drinks Using Uv/Vis Spectroscopy, Laney Hedgeman, Brianna Bond

Symposium of Student Scholars

Abstract

The purpose of our project is to indirectly monitor the enzymatic activity of glucose oxidase as it reacts with the glucose present in sports drinks through the quantitative analysis of the generated ferricyanide. As glucose oxidase catalyzes the oxidation of beta-D-glucose in the presence of oxygen, D-glucono-1,5-lactone is produced along with hydrogen peroxide. The hydrogen peroxide is used in a subsequent reaction with ferrocyanide catalyzed by horse radish peroxidase to produce water and the chromophore ferricyanide. This compound absorbs in the ultraviolet/visible spectrum at 420 nm, which can be quickly measured using Ultraviolet/Visible Spectroscopy. Since the molar ratio of …

From Disease Description And Gene Discovery To Functional Cell Pathway: A Decade-Long Journey For Tmco1, Helen Batchelor-Regan, Baozhong Xin, Aimin Zhou, Heng Wang

Chemistry Faculty Publications

A decade has passed since transmembrane coiled-coil domains 1 (TMCO1) defect syndrome was identified in 11 undiagnosed patients within the Old Order Amish of Northeastern Ohio-a disorder characterized by a distinctive craniofacial dysmorphism, skeletal anomalies and global developmental delay. Twenty seven patients, from diverse ethnic groups, have been reported with pathogenic TMCO1 variants now recognized to cause cerebrofaciothoracic dysplasia (CFTD). The implication of previously uncharacterized TMCO1 within disease has instigated a 10-year journey to understand the function of TMCO1 protein in Ca2+ homeostasis. TMCO1 is an ER Ca2+ leak channel which facilitates Ca2+ leak upon ER "overload" through the novel …

Using Chemical Speciation Modelling To Discuss Variations In Patch Test Reactions To Different Aluminium And Chromium Salts, Saman Nikpour, Yolanda S. Hedberg

Chemistry Publications

Background: Allergic contact dermatitis to metals is diagnosed by applying a metal salt in a patch test. The bioavailability of the metal salt might depend on the choice of metal salt, the concentration, sweat composition, and pH.

Objectives: The main purpose of this study was to apply chemical speciation modelling, which is based on experimentally derived input data and calculates the concentrations of chemical forms (species) in solutions, to reproduce and discuss clinical patch test results of aluminium and chromium.

Methods: Joint Expert Speciation System (JESS), Hydra/Medusa, and Visual Minteq were employed to study the bioavailable fraction and chemical form …

Keap1 Cancer Mutants: A Large-Scale Molecular Dynamics Study Of Protein Stability., Carter J Wilson, Megan Chang, Mikko Karttunen, Wing-Yiu Choy

Chemistry Publications

We have performed 280 μs of unbiased molecular dynamics (MD) simulations to investigate the effects of 12 different cancer mutations on Kelch-like ECH-associated protein 1 (KEAP1) (G333C, G350S, G364C, G379D, R413L, R415G, A427V, G430C, R470C, R470H, R470S and G476R), one of the frequently mutated proteins in lung cancer. The aim was to provide structural insight into the effects of these mutants, including a new class of ANCHOR (additionally NRF2-complexed hypomorph) mutant variants. Our work provides additional insight into the structural dynamics of mutants that could not be analyzed experimentally, painting a more complete picture of their mutagenic effects. Notably, blade-wise …

Host–Guest Interactions In A Metal–Organic Framework Isoreticular Series For Molecular Photocatalytic Co2 Reduction, Philip M. Stanley, Johanna Haimerl, Christopher Thomas, Alexander Urstoeger, Michael Schuster Prof. Dr., Natalia B. Shustova Prof. Dr., Angela Casini Prof. Dr., Bernhard Rieger Prof. Dr., Julien Warnan Dr., Roland A. Fischer Prof. Dr.

Faculty Publications

A strategy to improve homogeneous molecular catalyst stability, efficiency, and selectivity is the immobilization on supporting surfaces or within host matrices. Herein, we examine the co-immobilization of a CO2 reduction catalyst [ReBr(CO)3(4,4′-dcbpy)] and a photosensitizer [Ru(bpy)2(5,5′-dcbpy)]Cl2 using the isoreticular series of metal–organic frameworks (MOFs) UiO-66, -67, and -68. Specific host pore size choice enables distinct catalyst and photosensitizer spatial location—either at the outer MOF particle surface or inside the MOF cavities—affecting catalyst stability, electronic communication between reaction center and photosensitizer, and consequently the apparent catalytic rates. These results allow for a rational understanding of an optimized supramolecular layout of catalyst, …

Theranostic Applications Of Sirna Bioconjugates In Cancer Detection And Treatment, Sunil S. Shah

Seton Hall University Dissertations and Theses (ETDs)

Abstract

The emerging field of RNA nanotechnology has led to rapid advances in the applications of RNA in chemical biology, medicinal chemistry, and biotechnology. At the forefront of its utility is the ability to self-assemble multiple siRNAs into nanostructure formulations capable of targeting selected oncogenes and potentiating the gene therapy of malignant tumors. Self-assembled siRNA integrates multiple siRNAs within a single molecular platform for silencing multiple oncogenic mRNA targets with high precision and efficacy to potentially induce cancer cell apoptosis through the RNA interference (RNAi) pathway. Furthermore, the conjugation of siRNA self-assemblies with bio-active probes results in multi-functional theranostic (therapy+diagnostic) …

Photochemistry Of Nh2No2 And Implications For Chemistry In The Atmosphere, Vincent J. Esposito, Tarek Trabelsi, Joseph S. Francisco

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Recent studies have indicated that nitramide (NH₂NO₂) may be formed more plentifully in the atmosphere than previously thought, while also being a missing source of the greenhouse gas nitrous oxide (N₂O) via catalyzed isomerization. To validate the importance of NH₂NO₂ in the Earth’s atmosphere, the ground and first electronic excited states of NH₂NO₂ were characterized and its photochemistry was investigated using multireference and coupled cluster methods. NH₂NO₂ is non-planar and of singlet multiplicity in the ground state while exhibiting large out-of-plane rotation in the triplet …

Advancing The Preclinical Development Of Secondary Metabolites From Cacospongia Mycofijiensis For The Treatment Of Cancer, Joseph Morris

Natural Sciences and Mathematics | Biological Sciences Master's Theses

The marine sponge Cacospongia mycofijiensis from the Indo-Pacific has proven to be a source of structurally diverse secondary metabolites that are biologically active against a variety of distinct targets. Current interest in the secondary metabolites of C. mycofijiensis largely stems from a) their potent and preferential cytotoxicity for cancer cell lines versus normal cells, making many of them promising leads as cancer therapeutics and b) the novel mechanisms of action responsible for their impressive cytotoxicity. However, limited compound availability has resulted in a paucity of studies aimed at advancing the preclinical development of these secondary metabolites from C. mycofijiensis for …

Methodology Utilizing Triphosgene To Promote Cyclization Of Epoxy Ketones To Pyranoside Derivatives Via Proposed Epoxonium Ions, Isaac Camargo Dos Reis

LSU Master's Theses

The development of new methodologies in organic chemistry is of great importance. In fact, the discovery and creation of new reactions frequently uncovers new chemical reactivities and creates new areas of chemistry. The purpose of this thesis is to present the development of new synthetic reactions that were discovered through previous findings. Additionally, the main theme of this work relies on the intermediacy of a cationic reactive intermediate: epoxonium ions. Chapter 1 provides a brief review of bicyclic epoxonium ions and methods for their generation, as well as their utility in the synthesis of interesting heterocycles. Furthermore, Chapter 1 illustrates …

Records Of Enriched Uranium Atmospheric Deposition In Pond Sediments In Piketon, Oh, Brianna Herner, Brian Majestic, Michael Ketterer

DU Undergraduate Research Journal Archive

The enrichment of uranium, often for nuclear weapons programs and commercial nuclear reactors, produces higher concentrations of radioactive uranium 235 (²³⁵U) than what naturally occurs, which can pose a human health hazard. The most abundant naturally occurring uranium isotope is ²³⁸U, which is still radioactive, however a higher concentration of ²³⁵U skews the observed isotopic uranium distribution. The Department of Energy Portsmouth Gaseous Diffusion Plant, located near Piketon, OH, enriched uranium from 1954 to 2001 and ²³⁵U pollution has recently been detected in air and sediment samples in the surrounding community. The extent of the …

Cyclobutanone Inhibitor Of Cobalt-Functionalized Metallo-Γ-Lactonase Aiia With Cyclobutanone Ring Opening In The Active Site, Cory T. Reidl, Romila Mascarenhas, Thahani S. Habeeb Mohammad, Marlon R. Lutz Jr, Pei W. Thomas, Walter Fast, Dali Liu, Daniel P. Becker Ph.D.

Chemistry: Faculty Publications and Other Works

An α-amido cyclobutanone possessing a C10 hydrocarbon tail was designed as a potential transition-state mimetic for the quorum-quenching metallo-γ-lactonase autoinducer inactivator A (AiiA) with the support of in-house modeling techniques and found to be a competitive inhibitor of dicobalt(II) AiiA with an inhibition constant of Ki = 0.007 ± 0.002 mM. The catalytic mechanism of AiiA was further explored using our product-based transition-state modeling (PBTSM) computational approach, providing substrate-intermediate models arising during enzyme turnover and further insight into substrate–enzyme interactions governing native substrate catalysis. These interactions were targeted in the docking of cyclobutanone hydrates into the active site of …

Lipoates As Building Blocks Of Macromolecules, Mojdeh Raeisi

Chemistry Theses and Dissertations

Since the discovery of Lipoic acid in the early 1950s, there have been several studies to further investigate properties and applications of this interesting, naturally occurring compound. In 1956, the dynamic nature of disulfide bonds in Lipoic acid was reported, which can exist through conversions of monomeric disulfide, polymeric disulfide, and reduced form (dithiol) from one to another under proper conditions. This dynamic nature and reducibility of disulfide bonds via thiol-disulfide exchange, opened doors to the use of Lipoic acid in drug delivery systems, especially for delivery to cancer cells that suffer from overexpression of glutathione – a thiol-bearing tripeptide …

Aerosol Vapor Synthesis Of Organic Processable Pedot Particles And Measuring Electric Conductivity Using A 3d Printed Probe Station, Yang Lu

McKelvey School of Engineering Graduate Student Theses & Dissertations

Conducting polymers are organic semiconductors characterized by conjugated backbones (alternating single-double bonds) that enable mixed ionic-electronic conductivity. Their polymeric nature, tunable band structure and reversible redox capability have demonstrated fundamental advances in the fields ranging from electrochemical energy storage, sensing, to electro/photo catalysis and neuromorphic engineering. Conjugated backbones, the origin of all the unique physical and chemical properties associated with conducting polymers, prevent their solubility due to high lattice energy which hinders processing. Current solution utilizes a long-chain polymer (PSS) as dopants to render conducting polymer water dispersible (PEDOT:PSS). Nonetheless, PSS is highly acidic and hydrophilic limiting applicability with acid-incompatible …

Cu-Promoted C-H Bond Hydroxylation Inspired By Cu-Dependent Metalloenzymes, Rachel Trammell

Chemistry Theses and Dissertations

From 2003 to 2015, Schӧnecker and Baran proposed a dinuclear Cu/O₂ species in their mechanistic proposal for the hydroxylation of sp³ C-H bonds within their systems (proposed based on yields). Inspired from the site selectivity of this methodology and poor analysis of the mechanism, the first project was inspired to re-examine the sp³ C-H bond hydroxylation by Schrӧnecker and Baran and perform an intensive investigation into understanding how Cu/O₂ interact which led us to propose a new mechanism based on the evidence collected (i.e., LCu^II-hydroperoxide species that undergoes homolytic O-O bond cleavage). From there …

Targeted Combination Therapy Of Nsclc Using Taxol And Fingolimod Loaded Nanoceria, Raghunath Narayanam

Electronic Theses & Dissertations

Among various types of cancers, lung cancer reports highest death rate and Non-Small cell lung cancer causes highest mortality in lung cancers. This is mainly due to the scarcity of treatment options and the available treatment shows numerous adverse effects. In the recent times, nanotechnology paved a new path for the diagnosis and therapy of cancer. In this study, we worked on a novel, multifunctional nanoceria (NC) platform loaded with two unique drugs taxol and fingolimod, which acts in their own ways providing synergic therapeutic effect. We hypothesized that the usage of the polyacrylic acid (PAA) coated nanoceria (PNC) increases …

Integrated Mass Spectrometry-Based Method In Protein Chemistry: Metal-Binding Protein And Integral Membrane Protein, Chunyang Guo

Arts & Sciences Graduate Student Theses and Dissertations

Most biological processes are associated with protein catalysis. Characterizing protein structure, therefore, is crucial for understanding biological function. Mass spectrometry (MS)-based methods have emerged as a pivotal biophysical tool to interrogate protein structures; they can characterize protein-ligand/protein complexes that are refractory to conventional high-resolution means such as X-ray crystallography, Cryo-EM, and nuclear magnetic resonance (NMR) spectroscopy, in part owing to high molecular weight and significant flexibility. The integrated MS-based platform will provide topology and structural information of proteins from sketch to detail; native MS identifies protein complexes’ composition and stoichiometry; hydrogen-deuterium exchange MS (HDX-MS) detects the protein complexes’ dynamic change …

In-Situ Imaging Of Surface Heterogeneity In Semiconductor Photocatalysts Using Singlemolecule Fluorescence Microscopy, Meikun Shen

Arts & Sciences Graduate Student Theses and Dissertations

Metal oxide semiconductors have been used as promising photocatalysts to convert solar energy into useful fuels, such as water splitting, carbon dioxide reduction, and nitrogen fixation reactions. However, the typical metal oxide photocatalysts' efficiency often suffers from their weak visible light absorption and low charge carrier mobilities. One common strategy to mitigate these limitations is to introduce oxygen vacancies into the lattice of the semiconductor photocatalysts. This strategy has been applied to many metal oxide photocatalysts, such as titanium oxide, tungsten oxide, and zinc oxide, and oxygen vacancies indeed enhance their catalytic activities. Various roles of oxygen vacancies have all …

Synthesis And Characterization Of Putative Triplet Sensitizers In The Dark Pathway To Cyclobutane Pyrimidine Dimers Of Dna, Yanjing Wang

Arts & Sciences Graduate Student Theses and Dissertations

The cyclobutane pyrimidine dimer (CPD) is the major photoproduct resulting from direct absorption of UVB radiation in sunlight by DNA that results in C to T mutations found in human skin leading to skin cancer. CPDs can also be produced through the action of photosensitizers that can absorb longer wavelength UVA that is not absorbed efficiently by DNA and transfer triplet energy to the DNA. Most recently, CPDs was discovered to be formed in the dark following UV irradiation of melanocytes. This dark pathway was proposed to result from an indirect pathway to CPDs that involves triplet energy transfer from …

Metal Salt Hydrolysis For Electrochemically Active Conducting Polymer Nanocomposites, Hongmin Wang

Arts & Sciences Graduate Student Theses and Dissertations

The diversity of nanostructures obtained from organic polymerization is limited when compared to the vast amount of inorganic nanostructures. This dissertation will focus on a synergistic mechanism between organic polymerization and in situ inorganic salt hydrolysis for developing electrochemically active organic-inorganic hybrid nanostructures. The degree of polymerization, crystallinity and doping level of the conjugated polymer backbone is controlled using oxidative radical vapor-phase polymerization resulting in organic semiconductors featuring high crystallinity and superior electrical conductivity. An aqueous metal salt solution of iron (III) chloride serves as an oxidant for initiating the polymerization and interestingly, this inorganic salt hydrolyzes in situ producing …

Developing An Inquiry-Based Laboratory Project For Chem 142l Course At Bsu, Manuel Pina

Honors Program Theses and Projects

In addition to content knowledge, critical and independent thinking, scientific reasoning, and problem-solving skills are essential in preparing next generation of successful workforce. Since one of the biggest advantages of STEM disciplines is a “must-have” hands-on laboratory experience, it is intuitive to exploit this learning space to reinforce afore-mentioned skills. In this context, project-based (PBL) or inquiry-based (IBL) laboratory experiences are rapidly becoming mainstream pedagogical choice for many STEM instructors across United States.^[1-4] PBL, and IBL are learning experiences that offer students an opportunity to experience realistic scientific process of discovery through carefully designed inquiry-driven and/or open-ended investigative laboratory …

Synthesis And Crystal Structures Of 3,6-Di­Hy­Droxy­Picolinic Acid And Its Labile Inter­Mediate Dipotassium 3-Hy­Dr­Oxy-6-(Sulfonato­­Oxy)Pyridine-2-Carboxyl­Ate Monohydrate, Edward J. Behrman, Sean R. Parkin

Chemistry Faculty Publications

A simplified two-step synthesis of 3,6-di­hydroxy­picolinic acid (3-hy­droxy-6-oxo-1,6-di­hydro­pyridine-2-carb­oxy­lic acid), C₆H₅NO₄ (II), an inter­mediate in the metabolism of picolinic acid, is described. The crystal structure of II, along with that of a labile inter­mediate, dipotassium 3-hy­droxy-6-(sulfonato­oxy)pyridine-2-carboxyl­ate monohydrate, 2K⁺·C₆H₃NO₇S²⁻·H₂O (I), is also described. Compound I comprises a pyridine ring with carboxyl­ate, hydroxyl (connected by an intra­molecular O—H⋯O hydrogen bond), and sulfate groups at the 2-, 3-, and 6-positions, respectively, along with two potassium cations for charge balance and one water …

Effects Of Environmental Change On Ancestral Pueblo Fishing In The Middle Rio Grande, Jonathan William Dombrosky

Anthropology ETDs

It has long been assumed that fishes were unimportant in the diet of past Pueblo people in the U.S. Southwest. Yet, small numbers of fish remains are consistently recovered from Late pre-Hispanic/Early Historic archaeological sites in the Middle Rio Grande of New Mexico. The end of drought conditions may have impacted food choice and fishing decisions during this time. I use behavioral ecology to understand how fishing could have been an optimal food-getting strategy for Ancestral Pueblo farmers. Stable isotope analysis offers a way to account for environmental change. I provide a refined ¹³C Suess correction model to support …

Steady-State Transmembrane Water Exchange In Proliferating Cultures Of Saccharomyces Cerevisiae, Joseph O'Malley Armstrong

Dissertations and Theses

Cellular water exchange is often considered in terms of a change in volume, where a net flux of water moves across the cell membrane due to a change in osmotic pressure. Osmotic pressure can cause a cell to shrink or swell, however, rapid water exchange persists across the membrane even when the volume of the cell is constant. Steady-state transmembrane water exchange describes the exchange of water across the cell membranes which results in no net change in cell volume. This exchange is astonishingly rapid; the entire pool of intracellular water of a Saccharomyces cerevisiae cell may exchange 2-5 times …

Beyond Structural Motifs: The Frontier Of Actinide-Containing Metal–Organic Frameworks, Corey R. Martin, Gabrielle A. Leith, Natalia B. Shustova Prof. Dr.

Faculty Publications

In this perspective, we feature recent advances in the field of actinide-containing metal–organic frameworks (An-MOFs) with a main focus on their electronic, catalytic, photophysical, and sorption properties. This discussion deviates from a strictly crystallographic analysis of An-MOFs, reported in several reviews, or synthesis of novel structural motifs, and instead delves into the remarkable potential of An-MOFs for evolving the nuclear waste administration sector. Currently, the An-MOF field is dominated by thorium- and uranium-containing structures, with only a few reports on transuranic frameworks. However, some of the reported properties in the field of An-MOFs foreshadow potential implementation of these materials and …