Chemistry Commons^™

Cycling Of Molecular Hydrogen In Subarctic Sweden, Victoria Ward

Honors Theses and Capstones

No abstract provided.

Expulsion Of Leaving Groups From Zwitterionic Intermediates Generated Via Photochemical Electrocyclic Ring Closure Reactions And An Investigation On Tpe Oligomers, Tasnuva Shahrin

Dissertations (1934 -)

Photochemical cleavage reactions have been found widespread use in biological applications that require intracellular photochemical release of biologically active substrates such as peptides, proteins, neurotransmitters, or nucleotide phosphates. The research is to devise photoremovable protecting groups (cage compounds) that can be used to deprotect those biological substrates by irradiation. A number of photocleavage reactions have been developed in recent years which release chlorides, hydroxides, carboxylates, thiolates, and phenolates leaving groups for use in such applications. Nevertheless, photochemical elimination reactions that expel such leaving group anions remain quite uncommon. The cleavage of cage compounds via photolysis requires heterolysis of a bond …

3,4',5-Trichlorobiphenyl-4-Yl 2,2,2-Trichloroethyl Sulfate, Hans-Joachim Lehmler, Xianran He, Michael W. Duffel, Sean Parkin

Chemistry Faculty Publications

Crystals of the title compound, C₁₄H₈Cl₆O₄S, are twinned by inversion, with unequal components [0.85 (3):0.15 (3)]. The asymmetric unit contains two independent molecules that are related by a pseudo-inversion center. The C_ar-O [1.393 (9) and 1.397 (9) Å] and ester S-O bond lengths [1.600 (5) and 1.590 (5) Å] of both molecules are comparable to the structurally related 2,3,5,5-trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate. The dihedral angles between the benzene rings in the two molecules are 37.8 (2) and 35.0 (2)°.

Volume 05, Ian Karamarkovich, Jessica Cox, Kyle Fowlkes, Allison Pawlowski, Kaitlin Major, Carrie Dunham, Kelsey Scheitlin, Kathryn Grayson, Ashley Johnson, Jennifer Nehrt, Kelsey Stolzenbach, Kristin Mcquarrie, Sara Nelson, Melisa Michelle, Jessica Sudlow, Perry Bason, Danielle Dmuchawski, Mariah Asbell, Matthew Sakach, Timothy Smith Jr., Annaliese Troxell, T. Dane Summerell, Sarah Ganrude, Malina Rutherford, Hannah Hopper, John Berry Jr., James Early, Colleen Festa, Chelsea D. Taylor, Michelle Maddox, Kaitlyn Smith, Sarah Schu, Cabell Edmunds, Katherine Grayson, Kayla Tornai

Incite: The Journal of Undergraduate Scholarship

Introduction from Dean Dr. Charles Ross

The Tallis House as an Extension of Emily Tallis in McEwan's Atonement by Ian Karamarkovich

Graphic Design by Jessica Cox

Graphic Design by Kyle Fowlkes

Graphic Design by Allison Pawlowski

Incorporating Original Research in The Classroom: A Case Study Analyzing the Influence of the Chesapeake Bay on Local Temperatures by Kaitlin Major, Carrie Dunham and Dr. Kelsey Scheitlin

Graphic Design by Kathryn Grayson

Graphic Design by Ashley Johnson

Facing the Music: Environmental Impact Assessment of Building A Concert Hall on North Campus by Jennifer Nehrt, Kelsey Stolzenbach And Dr. Kelsey Scheitlin

Art by Kristin …

Overexpression, Purification, Spin-Labeling, And Characterization Of Full-Length M2, An Integral Membrane Protein Of Influenza A, In Detergent Micelles And In Mixed Lipid Vesicles, Richard Chen , '13

Senior Theses, Projects, and Awards

M2 is a 97-residue, multi-functional transmembrane protein that has been implicated in processes important to viral replication, such as proton conduction and viral budding of Influenza A. Due to experimental difficulties associated with the overexpression of membrane proteins, previous structural studies of M2 have focused on various synthetic truncated forms of the protein, which has lead to incomplete and sometimes inconsistent results. Therefore structural studies of the full-length M2 protein avoid the potential artifacts associated with truncations and provide more physiologically relevant data regarding the M2 protein. This research describes the successful overexpression, purification, spin-labeling, and reconstitution of the full-length …

Chemical Ecology Of The Defensive Secretions Of A Ground Beetle, Travis M. Mattingly , '13

Senior Theses, Projects, and Awards

The ground beetle Chlaenius cordicollis produces a pungent spray when agitated. Headspace solid phase micro-extraction and gas chromatography mass spectrometry were used to sample and analyze the defensive secretion. Samples were collected in Manitoba and Pennsylvania and their patterns of variation compared. By taking samples in both the beetles' natural environment and in controlled laboratory settings, the effects of beetle life cycle stage, sex, food source and geographical origin on spray composition were explored. Temporal variation was found to be the most significant source of variation between the populations. Sexual dimorphism was documented in Manitoba and this difference provides a …

Investigating G-Quadruplex Formation And Its Structural Perturbation By And Interactions With N-Methyl Mesoporphyrin Ix, Steven P. Barrett , '13

Senior Theses, Projects, and Awards

G-quadruplexes (GQs) are noncauonical secondary structures of DNA that can adopt a multitude of different topologies. Here, we explore the factors that drive the formation of these structures and favor the specific topologies they adopt. Our discussion of this topic begins with an investigation of the interactions of N-methyl mesoporphyrin IX (NMM), a small aromatic molecule, with Tel22, a 22-nucleotide DNA sequence that serves as a model for the putative quadruplex formed by the human telomeric repeat sequence. NMM is exceptionally selective for GQ DNA over all other types of nucleic acid secondary structure and specifically prefers the parallel …

Utilizing Enantiopure Planar Chiral Sulfinyl And N-Oxazolidinyl Iron(O) Tricarbonyl Diene Complexes For The Installation Of Adjacent Stereocenters, Alice R. Wong , '13

Senior Theses, Projects, and Awards

Enantiomerically pure planar chiral iron(0) tricarbonyl diene complexes were used as a template for the diastereoselective spiroketalization of four spiroketals. As an additional complication, these substrates contained an additional methyl substituent (both the (R) and (S) configurations) at the C6 position along the B ring of the spiroketal; these substituent effects were examined for both the 2-iodovinyl sulfoxide and l-iodovinyl sulfoxide series. These spiroketalization reactions demonstrated clear "matched"/"mismatched" effects as predicted, affording "matched" spiroketalization diastereomeric ratios of 46:1 and 24:1, and "mismatched" spiroketalization diastereomeric ratios of 10:1 and 9:l. These diastereoselectivities were supported by computational information. As a step away …

Mass Spectral Imaging For Analysis Of Pharmaceutical Ingredients, Abdul Majid Mohammed

All Student Theses and Dissertations

Mass spectral imaging (MS-imaging) is a modern technique used for the analysis and characterization and distribution of pharmaceutical ingredients , drugs, peptidies, lipids, and other bioactive species in tissue section/ Tissue prints. Although now widely accepted, there remains a host of competing and complementary techniques including DESI, MALDI, SIMS, and DART ionization techniques that allow the researchers to obtain appreciable ion intensities for mapping purposes. Instrumentation further is, rapidly advancing with significant progress in TOF, ion trap, and quadrupole instrumentation for mapping. In this review, I will examine the current status and role of MS-imaging with emphasis on analysis of …

Solution Structures Of Mycobacterium Tuberculosis Thioredoxin C And Models Of Intact Thioredoxin System Suggest New Approaches To Inhibitor And Drug Design, Andrew Lawrence Olson, Terrence S. Neumann, Sheng Cai, Daniel S. Sem

Chemistry Faculty Research and Publications

Here, we report the NMR solution structures of Mycobacterium tuberculosis (M. tuberculosis) thioredoxin C in both oxidized and reduced states, with discussion of structural changes that occur in going between redox states. The NMR solution structure of the oxidized TrxC corresponds closely to that of the crystal structure, except in the C-terminal region. It appears that crystal packing effects have caused an artifactual shift in the α4 helix in the previously reported crystal structure, compared with the solution structure. On the basis of these TrxC structures, chemical shift mapping, a previously reported crystal structure of the M. tuberculosis …

Analysis Of Beetle Cuticular Hydrocarbons, Elizabeth A. Williams , '13

Senior Theses, Projects, and Awards

The insect cuticle, commonly known as the exoskeleton, consists of two layers: a bottom layer called the procuticule and a thin outer waxy coating called the epicuticle. The epicuticle contains hydrocarbons that prevent desiccation and are used for chemical communication both inter- and intra- specifically. For some insects, these compounds are important sociochemicals involved in recognizing nestmates and predators as well as identifying the sex of other insects. The established procedure to extract cuticular hydrocarbons is lethal, directly introducing the insects to toxic solvents. The goal of this study is to develop a non-lethal procedure to extract the cuticular hydrocarbons …

Studies On The Diastereoselctive Synthesis Of Spiroketals And Bis-Spiroketals Utilizing A Planar Chiral Sulfinyl Diene Iron(0) Tricarbonyl Scaffold, Jacob S. Tracy , '13

Senior Theses, Projects, and Awards

Spiroketals are chemical motifs found in a range of natural products, many of which possess important biological activity. The stereochemistry of the spiro center of a spiroketal can be controlled by an enantiomerically pure planar chiral ƞ⁴-iron(0) tricarbonyl scaffold. This planar chiral scaffold is prepared through the Stille coupling of an appropriately substituted β-stannylenone to an enantiomerically pure iodo vinyl p-tolyl sulfoxide. Planar chirality is installed by preferential complexation of an iron(O) tricarbonyl fragment to the less hindered face of the sulfinyl diene. An appropriately substituted planar chiral spiroketal precursor was treated with acid to result in diastereoselective spiroketalization. …

Jet-Cooled Spectroscopic Characterization Of Anethole (Methoxy-4-(Prop-1-Enyl)Benzene), A Natual Styrene Derivative, Victoria P. Barber , '13

Senior Theses, Projects, and Awards

The molecular structure of anethole (methoxy-4-(prop-l-enyl)benzene), was investigated using Jet-Cooled UV spectroscopy. A laser-induced fluorescence spectrum was obtained of the S₁-S₀ transition. Two 0⁰₀ transitions were observed in the LIF spectrum, separated by 69 cm⁻¹, and were assigned to the syn and anti conformers of anethole. Single vibronic level fluorescence spectra were obtained for both of the origin transitions. Bands of the S|VLF spectrum of each conformer were assigned by comparison with theoretical calculations at the DFT/B3LYP, 6-311G++(d,p) level of theory, as well as experimental information from similar molecules. In order to assign the LIF spectrum further, SVLF spectra were …

Interaction Of Ruthenium Polypyridyl Complexes With Human Telometric Dna, Vienna Tran , '13

Senior Theses, Projects, and Awards

The goal of this thesis work was to explore the interactions between a series of ruthenium complexes and the human telometric DNA sequence. Specifically, this work investigated the ability of [Ru(bpy)₂L]²⁺ and [Ru(phen)₂L]²⁺ complexes to act as G-quadruplex (GQ) stabilizing ligands (bpy = bipyridine, phen = phenanthroline, L = a polypyridyl derivative of dipyridophenazine (dppz)). [Ru(bpy)₂(dppz)]²⁺ and [Ru(phen)₂(dppz)]²⁺ are known to bind to GQ DNA, though not selectively and also to display molecular light switch activity upon interaction with DNA. The ruthenium complexes were studied in this work with several UV-visible and fluorescent techniques to determine the ability of each …

Patent: Fusion Proteins For Treating Metabolic Disorders, Brian R. Boettcher, Shari L. Caplan, Douglas S. Daniels, Norio Hamamatsu, Stuart Licht, Stephen Craig Weldon

Chemistry Faculty Publications

The invention relates to the identification of fusion proteins comprising polypeptide and protein variants of fibroblast growth factor 21 (FGF21) with improved pharmaceutical properties. Also disclosed are methods for treating FGF21 associated disorders, including metabolic conditions.

Dielectric Properties Of Polymer–Particle Nanocomposites Influenced By Electronic Nature Of Filler Surfaces, Sasidhar Siddabattuni, Thomas P. Schuman, Fatih Dogan

Materials Science and Engineering Faculty Research & Creative Works

The interface between the polymer and the particle has a critical role in altering the properties of a composite dielectric. Polymer-ceramic nanocomposites are promising dielectric materials for many electronic and power devices, combining the high dielectric constant of ceramic particles with the high dielectric breakdown strength of a polymer. Self-assembled monolayers of electron rich or electron poor organophosphate coupling groups were applied to affect the filler–polymer interface and investigate the role of this interface on composite behavior. The interface has potential to influence dielectric properties, in particular the leakage and breakdown resistance. The composite films synthesized from the modified filler …

Jaggi To Address Honors Convocation, Katherine Filippo

News and Events (Discontinued Series)

No abstract provided.

Functionalization Of Organic Semiconductor Crystals Via The Diels–Alder Reaction, Brittni A. Qualizza, Srividya Prasad, M. Paul Chiarelli, Jacob W. Ciszek

Chemistry: Faculty Publications and Other Works

A surface adlayer is generated on organic single crystals (tetracene and rubrene) using the site specific Diels–Alder reaction and a series of vapor phase dienophiles. X-ray photoelectron spectroscopy (XPS) confirms adsorption on the surfaces of tetracene and rubrene and mass spectrometry demonstrates the reaction’s applicability to a range of dienophiles.

Rapid, Efficient And Versatile Strategies For Functionally Sophisticated Polymers And Nanoparticles: Degradable Polyphosphoesters And Anisotropic Distribution Of Chemical Functionalities, Shiyi Zhang

All Theses and Dissertations (ETDs)

The overall emphasis of this dissertation research included two kinds of asymmetrically-functionalized nanoparticles with anisotropic distributions of chemical functionalities, three degradable polymers synthesized by organocatalyzed ring-opening polymerizations, and two polyphosphoester-based nanoparticle systems for various biomedical applications.

Inspired by the many hierarchical assembly processes that afford complex materials in Nature, the construction of asymmetrically-functionalized nanoparticles with efficient surface chemistries and the directional organization of those building blocks into complex structures have attracted much attention. The first method generated a Janus-faced polymer nanoparticle that presented two orthogonally click-reactive surface chemistries, thiol and azido. This robust method involved reactive functional group transfer by …

Apparent Alkyl Transfer And Phenazine Formation Via An Aryne Intermediate, Daniel Becker, Andria M. Panagopoulos, Doug Steinman, Alexandra Goncharenko, Kyle Geary, Carlene Schleisman, Elizabeth Spaargaren, Matthias Zeller

Chemistry: Faculty Publications and Other Works

Treatment of chlorotriaryl derivatives 3a and 3d or fluorotriaryl derivatives 3b and 3e with potassium diisopropylamide afforded alkyl-shifted phenazine derivatives 5a/5b, rather than the expected 9-membered triazaorthocyclophane 2a. The phenazine derivatives were isolated in 78–98% yield depending on the halogen and alkyl group present. In the absence of the halogen (chloro or fluoro), the apparent alkyl shift proceeds more slowly and cannot proceed via the intermediacy of the aryne intermediate. Mechanistic possibilities include intramolecular nucleophilic attack on an aryne intermediate leading to a zwitterionic intermediate and alkyl transfer via a 5-endo-tet process, or via a Smiles rearrangement.

Facile Synthesis And Improved Pore Structure Characterization Of Mesoporous Γ-Alumina Catalyst Supports With Tunable Pore Size, Baiyu Huang

Theses and Dissertations

Mesoporous γ-alumina is the most extensively used catalysts support in a wide range of catalytic processes. The usefulness of γ-alumina relies on its favorable combination of physical, textural, thermal, and chemical properties. Pore structure properties are among the most important properties, since high surface area and large pore volume enable higher loading of active catalytic phases, while design of pore size and pore size distribution is critical to optimize pore diffusional transport and product selectivity. In addition, accurate determination of surface area (SA), pore volume (PV) and pore size distribution (PSD) of porous supports, catalysts, and nanomaterials is vital to …

Use Of Self-Assembled Monolayers To Tailor Surface Properties: From Lubrication To Neuronal Development, Natalie Ann Lafranzo

All Theses and Dissertations (ETDs)

The subsequent work describes advances in modifying the chemical properties of various substrates to tailor the surface properties for specific applications. This is achieved by making use of a molecular assembly known as self-assembled monolayers, or SAMs. SAMs are composed of tightly packed organic molecules that form a well-ordered structure on a substrate. Typically, the head group of the monomer is covalently anchored to the substrate, and monolayer order and self-assembly is achieved through van der Waals interactions between the long alkyl chains of the monomer's tail group. Monolayers containing head groups consisting of thiols, siloxanes, and phosphonates have been …

Part I: An Artificial Neural Network Model Of Tuberculosis Patient Data, Part Ii: A Dft Computational Model Of Metal Hydrides, William Orson Griffin

Theses and Dissertations

PART I -- The data of tuberculosis patients and a control group were analyzed with the artificial neural network in order to find genetic factors which inhibit and promote the patient to developing drug resistant tuberculosis. The data came from populations in Kyrgyzstan containing genetic and physical records as well as the type of tuberculosis they had contracted. Three models based on the data were developed: first, a model which differentiates TB from control patients, second, a model which differentiates both TB and control patients, and finally, a model which distinguishes infiltrative from chronic type tuberculosis. Factors which influenced the …

Renewable Resource-Based Magnetic Nanocomposites For Removal And Recovery Of Phosphorous From Contaminated Waters, Sunil Kumar Ramasahayam

Theses and Dissertations

Water pollution by dissolved phosphorous (P) is a serious water related issue being faced by mankind during the past two decades. Several technologies already exist to remove P from contaminated water but each has its own drawbacks. This project provides a novel microwave assisted synthesis of reduced iron oxide containing renewable resource-based media for P removal from contaminated waters. It provides a fast, easy, and economical way to produce reduced iron oxide nanocomposites without requiring the need for hydrogen or inert gas during the transformation. A wide range of other metal/ carbon nanocomposites can also be synthesized using this technology …

Resorcinarene-Based Cavitands: From Structural Design And Synthesis To Separations Applications, Na Li

Theses and Dissertations

Resorcinarenes are cyclic tetramers that are synthesized by the condensation of resorcinol and various aldehydes. The upper and lower rims can be modified with substituents that provide specific selectivity and other chemical features. In this work, resorcinarene-based macrocyclic ligands with specific selectivities have been designed, synthesized and applied to chiral amine discrimination and transition metal ion separations.These resorcinarenes fall into two categories. In the first type, the upper rims of resorcinarenes were modified with amino acid groups, including chiral alanine groups. The lower rims were modified with --CH3, or --C11H23 groups. The structures were studied by nuclear magnetic resonance (NMR), …

Student Electrochemical Research, Dr. Dean Wheeler

Journal of Undergraduate Research

The work allowed additional students to join in electrochemical engineering research here at BYU. The mentored students worked on one of several possible projects with the broad theme of understanding and mitigating internal resistances in fuel cells and lithium batteries. Additional work was done on statistical mechanics models of fluid properties. The students gained experience and confidence as they applied and augmented knowledge gained from their coursework. They strengthened their technical leadership and teamwork skills that are part of the expected student outcomes in the chemical engineering curriculum.

Fermi's Golden Rule, Ronald Lovett

Topics in Quantum Mechanics

No abstract provided.

Novel Patterns Of Torsion-Inversion-Rotation Energy Levels In The Ν11 Asymmetric Ch-Stretch Spectrum Of Methylamine, Mahesh B. Dawadi, C. Michael Lindsay, Andrei Chirokolava, David S. Perry, Li Hong Xu

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

The high-resolution infrared spectrum of methylamine (CH3NH2) has been recorded using slit-jet direct absorption spectroscopy in the ν11 CH-stretch region (2965–3005 cm−1) with a resolution of 0.0025 cm−1. The 621 lines assigned by ground state combination differences represent 27 substates with |K′| ≤ 2 for the A, B, E1, and E2 symmetries. The spectrum of CH3NH2 is complicated by torsion and inversion tunneling connecting six equivalent minima. The upper states K′ = 0, ± 1 for E1 and E2 are substantially perturbed by “dark” states. The result in the spectrum is multiplets of 2 or 3 …

Monolayer-Protected Nanoparticle Doped Xerogels As Functional Components Of Amperometric Glucose Biosensors, Michael Hartley Freeman, Jackson R. Hall, Michael C. Leopold

Chemistry Faculty Publications

First-generation amperometric glucose biosensors incorporating alkanethiolate-protected gold nanoparticles, monolayer protected clusters (MPCs), within a xerogel matrix are investigated as model systems for nanomaterial-assisted electrochemical sensing strategies. The xerogel biosensors are comprised of platinum electrodes modified with composite films of (3-mercaptopropyl)trimethoxy silane xerogel embedded with glucose oxidase enzyme, doped with Au225(C6)75 MPCs, and coated with an outer polyurethane layer. Electrochemistry and scanning/transmission electron microscopy, including cross-sectional TEM, show sensor construction, humidity effects on xerogel structure, and successful incorporation of MPCs. Analytical performance of the biosensor scheme with and without MPC doping of the xerogel is determined from direct glucose injection during …

Nanoparticle Film Assemblies As Platforms For Electrochemical Biosensing – Factors Affecting Amperometric Signal Enhancement Of Hydrogen Peroxide, Adrienne R. Schmidt, Natalie D. T. Nguyen, Michael C. Leopold

Chemistry Faculty Publications

Factors affecting the enhanced amperometric signal observed at electrodes modified with polyelectrolyte–gold nanoparticle (Au-NP) composite films, which are potential interfaces for first-generation biosensors, were systematically investigated and optimized for hydrogen peroxide (H2O2) detection. Polyelectrolyte multilayer films embedded with citrate-stabilized gold nanoparticles exhibited high sensitivity toward the oxidation of H2O2. From this Au-NP film assembly, the importance of Au-NP ligand protection, film permeability, the density of Au-NPs within the film, and electronic coupling between Au-NPs (interparticle) and between the film and the electrode (interfacial) were evaluated. Using alternative Au-NPs, including those stabilized with thiols, polymers, and bulky ligands, suggests that the …