Open Access. Powered by Scholars. Published by Universities.®
- Institution
-
- Union College (564)
- University of Mississippi (158)
- Colby College (97)
- Ouachita Baptist University (39)
- The University of Southern Mississippi (34)
-
- University of Tennessee at Chattanooga (33)
- Louisiana State University (29)
- University of Dayton (24)
- University of Richmond (23)
- Andrews University (20)
- Western Michigan University (17)
- Coastal Carolina University (8)
- Assumption University (6)
- Texas A&M University-Commerce (4)
- Bucknell University (3)
- Harding University (2)
- University of Nebraska - Lincoln (2)
- University of New Haven (2)
- Dominican University of California (1)
- Montana Tech Library (1)
- University of South Alabama (1)
- Keyword
-
- Undergraduate research (24)
- Synthesis (14)
- Chemistry (13)
- Biochemistry (6)
- Photochemistry (6)
-
- Cancer (5)
- DNA (5)
- Aerogel (4)
- Arginine (4)
- Carbene (4)
- Carbon dioxide (4)
- Computational (4)
- Enantioselectivity (4)
- Fluorescence (4)
- HPLC (4)
- Iron (4)
- Ligands (4)
- Nanoparticles (4)
- Organic chemistry (4)
- Organic compounds -- Synthesis (4)
- Oxidation (4)
- Photodynamic therapy (4)
- Polymer (4)
- Volvox (4)
- Amines (3)
- Amino Acids (3)
- Antineoplastic agents (3)
- Aromatic compounds (3)
- Astrochemistry (3)
- Calixarenes (3)
- Publication Year
- Publication Type
Articles 1 - 30 of 1068
Full-Text Articles in Entire DC Network
Theoretical Spectroscopic Predictions Of Electronically Excited States, Noah R. Garrett
Theoretical Spectroscopic Predictions Of Electronically Excited States, Noah R. Garrett
Honors Theses
The quest for faster computation of anharmonic vibrational frequencies of both ground and excited electronic states has led to combining coupled cluster theory harmonic force constants with density functional theory (DFT) cubic and quartic force constants for defining a quartic force field (QFF) utilized in conjunction with vibrational perturbation theory at second order (VPT2). This work shows that explicitly correlated coupled cluster theory at the singles, doubles, and perturbative triples level [CCSD(T)-F12] provides accurate anharmonic vibrational frequencies and rotational constants when conjoined with any of B3LYP, CAM-B3LYP, BHandHLYP, PBE0, and ωB97XD for roughly one-quarter of the computational time of the …
Synthesis And Analysis Of A Novel Magnetic Surfactant, Donovan Turpin
Synthesis And Analysis Of A Novel Magnetic Surfactant, Donovan Turpin
Honors Theses
Researchers in the University of Mississippi Chemical Engineering Department have suggested that chelation of a large magnetic transition metal, namely dysprosium, into the large polar head group of a surfactant could result in a magnetic surfactant. This project was aimed at synthesizing a surfactant with a large enough head group and negative charge (specifically EDTA) to support this ion and demonstrating that the chelation process was successful. If so, the molecule would ideally be capable of forming micelles which could extract oily substances from water using a strong magnet—possibly applicable to environmental crises like oil spills.
NMR analysis has suggested, …
The Synthesis And Characterization Of 9,10-Bis-(Iodoethynyl)Anthracene For 2d Molecular Crystals From Halogen-Bonding, Nehemiah Antoine
The Synthesis And Characterization Of 9,10-Bis-(Iodoethynyl)Anthracene For 2d Molecular Crystals From Halogen-Bonding, Nehemiah Antoine
Honors Theses
Two-dimensional crystals have unique properties, giving them the potential to develop practical items such as electronics, biomedicine, and sensors. Our goal is to use chemical principles to synthesize molecules that spontaneously form 2D crystals with designed patterns and properties. For this, we will exploit directional, non-covalent interactions to determine what pattern will form in 2D. In this project halogen-bonding will be utilized: halogen-bonding is the interaction between the electrophilic region of a halogen and a nucleophilic region of a Lewis base. We are functionalizing anthracenes with iodine and nitrogen to form halogen bonds that enable the molecules to pack more …
Synthesis And Characterization Of Silver(I) And Manganese(Ii) Complexes With Thione Imidazoles, Shannon Keyser, Audrey Lawrence, Jaime M. Murphy Ph.D.
Synthesis And Characterization Of Silver(I) And Manganese(Ii) Complexes With Thione Imidazoles, Shannon Keyser, Audrey Lawrence, Jaime M. Murphy Ph.D.
Honors Theses
Coordination polymers are chemical complexes with versatile applications such as catalysts, electrical conduc-tors, non-linear optics, magnetics, chemical sensing, and molecular storage. The polymers are comprised of a repeating series of metal-ligand complexes, which form various structures in varying ratios depending on the metal and ligand used. Certain metal-ligand combinations have shown particular promise as potentially being polymers or, if not polymers, possessing other useful features such as electromagnetic conductivity. Complexes were synthesized using silver(I) and manganese(II) with the ligands methimazole, 2-mercaptoimidazole, and thiocarbanilide with counterions of either chloride or nitrate. These com-plexes were characterized using elemental analysis, infrared spectroscopy, and …
Methods For Computing Rovibrational Spectral Data With Applications To Inorganic Oxides And Hydrocarbons, Alexandria Watrous
Methods For Computing Rovibrational Spectral Data With Applications To Inorganic Oxides And Hydrocarbons, Alexandria Watrous
Honors Theses
Computational chemistry focuses on finding solutions to the time-independent Schrödinger equation for systems of interest to study their molecular properties such as rovibrational spectral data. Any molecule containing more than one electron cannot be solved explicitly but coupled cluster theory offers one of the best approximations. One such application of this method is to molecules of astrochemical interest to support observation and experimental data. Chapters 2, 3, and 4 look at the performance of new couple cluster theory methods including composite and hybrid methods for ground and excited state rovibrational data. Chapters 5 - 9 use the previously mentioned methods …
Phenanthrene Jamboree, Alexander D. Roth
Phenanthrene Jamboree, Alexander D. Roth
Honors Theses
Using cyclopropanated and cyclobutanated phenanthrene precursors, our hero embarks on a mission to find as many reactive intermediates as possible. Fraught with danger, romance, and mangosteens, Anderson calls this work 'monstrous' and 'alarming.'
Self-Quenching Of Carbon Monoxide In The Presence Of Noble Gases, Madeline V. Hinkle
Self-Quenching Of Carbon Monoxide In The Presence Of Noble Gases, Madeline V. Hinkle
Honors Theses
Precise rate coefficients for the vibrational relaxation pathways of CO(v)-CO in the presence of Ar and Kr have been determined through the work of this thesis. This work was motivated by the need to find a more cost-effective alternative to using xenon as a bath gas, which has increased significantly in price in the past few years. Similar experiments within this lab at Bucknell have been conducted in the past using argon, which can be used in the same manner as xenon but comes at a much lower price, but the experiments yielded inferior results compared to those using xenon. …
Exploration Of Sulfonamides And Benzothiazoles As Peptide-Based Cleavable Linkers, Abigail Dalton
Exploration Of Sulfonamides And Benzothiazoles As Peptide-Based Cleavable Linkers, Abigail Dalton
Honors Theses
Cleavable linkers have demonstrated great potential in various applications of medicinal organic chemistry, such as in modern therapeutic development. Linkers are stable compounds that cleave in specific conditions to release molecular cargo. We have developed cleavable linkers based on nucleophilic aromatic substitution reactions on sulfonamide and benzothiazole substrates in small molecule and in peptide studies. Sulfonamides, commonly with an electron-withdrawing group, reacted in high conversion of starting material to the sulfide product in small molecule studies, but was unable to successfully cleave the sulfonamide linker on peptide in mild conditions. Next, a benzothiazole sulfone substrate was analyzed and optimized in …
The Effect Of Solvent Identity And Hydride-Donor On The Reduction Of Co2 Into Useful Fuels, Abigail Mcentire
The Effect Of Solvent Identity And Hydride-Donor On The Reduction Of Co2 Into Useful Fuels, Abigail Mcentire
Honors Theses
One possible strategy for decreasing CO2 emissions is through electrocatalytic reduction reactions to convert the CO2 back into combustible fuels , such as methane or methanol. However, it can be challenging to control the reaction to select one of these useful fuels as opposed to carbon monoxide or formate. Our strategy is to investigate a specific hydride donor and solvent combinations for which the reaction favors conversion to methanol. It was found that in acetonitrile , several hydride donors were capable of selective reduction of CO2 to the methanol oxidation state.
Investigation Of Zinc And Iron In Wildflower Honey, Savannah Simpson
Investigation Of Zinc And Iron In Wildflower Honey, Savannah Simpson
Honors Theses
Honey acts as a valuable food source for both animals and humans. When found in contaminated environments, there is an increased likelihood that honey samples will have high metal concentrations. It has been discovered that honey concentrations in metals can be different based on location. This experiment aims to determine the amount of two valuable metals, zinc, and iron, in various honey sources. These metals can be important to the human body because they help boost immunity and allow the body to carry out the functions required for survival. However, if these elements are present in copious quantities, then it …
Stress-Sensing In Flexible Epoxy Adhesives, Christine Rukeyser
Stress-Sensing In Flexible Epoxy Adhesives, Christine Rukeyser
Honors Theses
In mechanochemistry, mechanical force causes a chemical change using small molecules, called mechanophores, by covalently connecting them into polymer materials. Stress-sensing mechanophores give a visual signal of mechanical force on the molecular level within a material. To our knowledge, stress-sensing mechanophores have never been incorporated into a commercially available epoxy kit. In this work, the characterization of two 3MTM Scotch-Weld TM Epoxy Adhesive kits: DP100 Plus Clear and DP190 Translucent have been completed through FT-IR Spectroscopy. The addition of the mechanophore spiropyran to the 3M kits will be discussed; as well as preparation and characterization of three dimerized anthracene derivatives. …
Chemical And Genetic Composition Analysis Of Organic And Nonorganic Tortilla Chips, Aubrey White-Day
Chemical And Genetic Composition Analysis Of Organic And Nonorganic Tortilla Chips, Aubrey White-Day
Honors Theses
The aim of this study was to explore the chemical and genetic differences between organic and nonorganic tortilla chips using GC-MS and PCR. Twenty chip brands were selected: 10 organic and 10 nonorganic. A survey on shopping preferences was created and distributed to compare results of public opinion to experimental data. It yielded 212 responses. All organic chip brands, and one out of ten nonorganic chip brands, tested negative for GMOs. This study concluded that there are minimal chemical differences based on Jaccard similarity indicies and stark genetic differences between organic and nonorganic tortilla chips. In comparing statistical analyses to …
Photophysical And Photochemical Processes In Small Molecules And Materials For Solar Energy Conversion, Ethan Lambert
Photophysical And Photochemical Processes In Small Molecules And Materials For Solar Energy Conversion, Ethan Lambert
Honors Theses
The work covered in this thesis all falls under the theme of photophysical processes after light and matter interact. Those of primary interest are Raman scattering induced vibrations and excited state dynamics probed by transient absorption spectroscopy. Small molecules are studied with Raman spectroscopy and computational chemistry. These studies unearth the shifts in vibrational frequency as a function of charge transfer or receipt and how a quantitative assay of natural orbital populations and delocalization can offer both the nature and magnitude of this charge transfer. Further, a method is presented that builds upon previous work within the academic family tree; …
Photocatalyzed Hydrogen Evolution Using Nickel-Bound Metallothionein Protein, Windfield Swetman
Photocatalyzed Hydrogen Evolution Using Nickel-Bound Metallothionein Protein, Windfield Swetman
Honors Theses
The continued burning of fossil fuels is not only a cause of increasing deterioration of the environment but also a financially unsustainable source of energy. Advances in energy production must be investigated to avoid the long-term effects of this current main source of energy. One of the avenues being explored is the use of metalloenzymes to catalyze hydrogen evolution via water splitting that occurs during the reductive half of artificial photosynthesis. Metalloenzyme catalysts with a single Ni(Cys)4 active site have been previously studied, and this study explores the possibility of increasing hydrogen production by using metalloenzyme catalysts with multiple …
Investigating Reactivity Of Artificial Copper Peptides With Small Molecules, Allyson Bryant
Investigating Reactivity Of Artificial Copper Peptides With Small Molecules, Allyson Bryant
Honors Theses
The design of artificial enzymes has been a topic of significant interest in the field of biochemistry, as they can provide new opportunities for catalytic processes and drug development. De novo protein design has emerged as a promising approach to create such enzymes, and the study of metalloproteins, particularly copper-binding peptides, has become a focus of this research. This thesis investigates the reactivity of a mutated copper-binding peptide, I5A-3SCC, with oxygen and its implications in the development of artificial enzymes.
The parent peptide, 3SCC, was mutated by replacing Isoleucine residues with smaller Alanine side chains, which was hypothesized to enhance …
Structural Integrity And Stability Of Dna In Ionic Liquid And Near-Infrared Indolizine Squaraine Dye, Ember Yeji Suh
Structural Integrity And Stability Of Dna In Ionic Liquid And Near-Infrared Indolizine Squaraine Dye, Ember Yeji Suh
Honors Theses
Luminol, the most common presumptive test for blood at a crime scene, has multiple issues, such as false positive results with chemical agents, no luminescence due to “active oxygen” cleaning agents on bloodstains, and inability to penetrate textile materials. A combination of indolizine squaraine dye and ionic liquid (IL), or Dye Enhanced Textile Emission for Crime Tracking (DETECT), have shown potential to address these issues. The purpose of this study was to assess the binding mechanism of CG (1:1) and SO3SQ dye to HSA and how the mechanism can explain the W214 fluorescence quenching effect and to determine …
Modeling Surface Structures For The Capture Of Carbon Dioxide, Paige Freyre
Modeling Surface Structures For The Capture Of Carbon Dioxide, Paige Freyre
Honors Theses
Our research utilized a modified graphene surface model to simulate capture of carbon dioxide and nitrogen gas based on van der Waals forces and hydrogen bonding. We completed an extensive review of the literature for model and experimental surfaces used to trap carbon dioxide and nitrogen gas into structures and pores with varying functional groups, pore sizes, and pore structures. We replicated the design of selected published models and compared their and our calculated binding energies. We used Scigress (Fujitsu) software with the Molecular Mechanics MM3 parameter set to perform calculations to analyze a proposed graphene surface pore lined with …
Separating The R Vs. S Enantiomers Of A Quinoline Aimed At Inhibiting The Allosteric Binding Pocket Of Hiv-1 Integrase, Madison Canfield
Separating The R Vs. S Enantiomers Of A Quinoline Aimed At Inhibiting The Allosteric Binding Pocket Of Hiv-1 Integrase, Madison Canfield
Honors Theses
HIV-1 is a retroviral disease that infects CD4+ T cells in the body. Once inside the body, HIV-1 uses human cell machinery to replicate and reproduce using several enzymes to reverse transcribe viral RNA to DNA and integrate the viral DNA into the human genome to reproduce. Several drugs, such as NRTIs, INSTIs, NNRTIs, and PIs, have been created to inhibit specific parts of the viral life cycle and are used in combination to fight HIV-1. However, these medications face challenges of viral mutation and resistance, which increases the importance of creating more potent and effective drugs. Recently, a new …
Separating The R Vs. S Enantiomers Of A Quinoline Aimed At Inhibiting The Allosteric Binding Pocket Of Hiv-1 Integrase, Madison Canfield
Separating The R Vs. S Enantiomers Of A Quinoline Aimed At Inhibiting The Allosteric Binding Pocket Of Hiv-1 Integrase, Madison Canfield
Honors Theses
HIV-1 is a retroviral disease that infects CD4+ T cells in the body. Once inside the body, HIV-1 uses human cell machinery to replicate and reproduce using several enzymes to reverse transcribe viral RNA to DNA and integrate the viral DNA into the human genome to reproduce. Several drugs, such as NRTIs, INSTIs, NNRTIs, and PIs, have been created to inhibit specific parts of the viral life cycle and are used in combination to fight HIV-1. However, these medications face challenges of viral mutation and resistance, which increases the importance of creating more potent and effective drugs. Recently, a new …
Synthesis And Characterization Of Rhenium 2,2′-Pyridylnaphthyridine Metal Complexes, Benjamin F. Solomon
Synthesis And Characterization Of Rhenium 2,2′-Pyridylnaphthyridine Metal Complexes, Benjamin F. Solomon
Honors Theses
Rhenium (Re) is a group 7 heavy 5d transition metal in the same family as manganese (Mn) and technetium (Tc). Re-carbonyl complexes are known to be catalysts for many different kinds of reactions from C-C bond formation to reduction reactions like CO2 reduction (CO2RR)1,2. With this in mind, we have prepared a set of six Re-carbonyl complexes of 2,2′-pyridyl-1,6-naphthyridine (1,6- pynap) and 2,2′-pyridyl-1,8-naphthyridine (1,8-pynap), a redox non-innocent ligand containing a bpy moiety as well as an additional aryl nitrogen binding location at which another metal-ligand bond could form. We have synthesized these complexes as precursors …
Characterization Of Shinella 6-Hydroxy-(L)-Nicotine Oxidase (6hlno-Se), Kaitrin Funckes
Characterization Of Shinella 6-Hydroxy-(L)-Nicotine Oxidase (6hlno-Se), Kaitrin Funckes
Honors Theses
6-hydroxy-(L)-nicotine oxidase, isolated from the organism Shinella sp. HZN7 (6HLNO-SE), is an enzyme that during the catabolism of nicotine catalyzes the oxidation of (S)-6-hydroxynicotine to 6-hydroxypseudeooxynicotine. This enzyme is a member of the monoamine oxidase (MAO) structural family of flavoproteins, which contain a highly conserved FAD-binding domain. Within the binding domain is a conserved lysine residue that can be traced throughout evolutionary history in this family. 6HLNO isolated from Arthrobacter nicotinovorans serves as a model enzyme for the one isolated from Shinella as both catalyze the same reaction in this biochemical pathway and much has been studied about the Arthrobacter …
Computational Study Of The Rotational Barrier In Indole Derivatives, Javaughn Martinez
Computational Study Of The Rotational Barrier In Indole Derivatives, Javaughn Martinez
Honors Theses
The purpose of this computational study is to understand the rotational barrier in indole derivatives, leading to stereoisomers, specifically atropisomers, which will impact the research direction focused on the development of a porphyrin hosts in Professor Starnes’s group. The Starnes research group is working to synthesize a porphyrin host that can function as a sensor or to remove harmful and deleterious anions such as phosphate and nitrates (Busschaert, et al, 2015). We will utilize the data provided to understand the required energy to restrict a rotation around the indole-benzene bond. To do so, the indole derivatives will be studied using …
Substituent Effect Analysis On Halogen Bonding Interactions, Summer Hanson
Substituent Effect Analysis On Halogen Bonding Interactions, Summer Hanson
Honors Theses
This study was used to determine the significance of substituents placed on aromatic molecules and how electron-donating groups (EDG) and electron-withdrawing groups (EWG) affect the strength of the halogen bond. Each study involved the same substituents, each differing in electron-withdrawing and electron-donating capability. Five different systems were created on computational software to evaluate the distance between the halogen bond donor and halogen bond acceptor. In two studies, the goal was to find the best electron-donor on the halogen bond acceptor (donor of electron density) while the halogen bond donor remained constant. For one study, the goal was to determine the …
Computational Investigation Of Porphyrin-Based Host Design For Anions And Ion Pairs, Symphony Hill
Computational Investigation Of Porphyrin-Based Host Design For Anions And Ion Pairs, Symphony Hill
Honors Theses
Little research has heretofore been devoted to studying the binding interactions between porphyrin-based molecular hosts and anions or ion pairs. Such interactions could be important in synthesizing molecules capable of detecting, binding, extracting, and transporting ions of biological, environmental, and industrial significance. With this in mind, computational studies of nine different porphyrin hosts were performed to examine the structural and binding properties of each molecule and potential ion guests. Using the Spartan computational chemistry software, each porphyrin was modeled and binding was tested with a number of ions of different shapes and sizes. Data was then collected regarding the distances …
The Concentration Of Heavy Metals In Lincoln Nebraska's Tap Water, Evan Neuhaus
The Concentration Of Heavy Metals In Lincoln Nebraska's Tap Water, Evan Neuhaus
Honors Theses
Heavy metals are commonplace in nature, and are typically found in scarce quantities in all drinking sources. However, in high enough concentrations, they can have a myriad of negative health effects. This study seeks to find the concentrations of such metals in the Lincoln water supply utilizing the resources of the Water Center at the University of Nebraska at Lincoln. To test for discrete concentrations of trace elements, a method of using Inductively Coupled Plasma Mass Spectrometry (ICP-MS) was implemented. ICP-MS uses plasma to ionize and atomize a sample which is then filtered into a series of cones into a …
Modeling The Particle-On-A-Ring Theory In An Undergraduate Laboratory, Courtney Deslauriers
Modeling The Particle-On-A-Ring Theory In An Undergraduate Laboratory, Courtney Deslauriers
Honors Theses
In early chemistry education, students are often taught to think about electrons as small, negatively charged particles existing in planetary orbits around the nucleus of an atom, rather than creating an electron cloud. In reality, electrons exhibit wave-particle duality, and are best described as wave functions. This idea that the electrons travel as waves and are moving around the nucleus so quickly that it is not possible to know the speed or location of an electron at any given moment is extremely abstract and difficult to visualize. This concept is essential to the theory of quantum mechanics, and therefore is …
Deposited Cigarette Smoke As A Driver Of Oxidation And Partitioning Processes On Indoor Surfaces, April Hurlock
Deposited Cigarette Smoke As A Driver Of Oxidation And Partitioning Processes On Indoor Surfaces, April Hurlock
Honors Theses
Despite the large amount of time that individuals spend indoors during their lives, very little attention was paid to the chemistry that occurs on indoor surfaces until recently. Although not visible to the naked eye, physical and chemical processes, such as partitioning and oxidation, are occurring on virtually every indoor surface in a typical household. Indoor pollutants, ranging from skin oils to environmental cigarette smoke, drive a lot of these processes. The transformation of indoor surfaces by indoor pollutants can increase chemical exposure risks as new irritants or carcinogens can be introduced to the surfaces. In this thesis, I describe …
Selective Melt Recrystallization Of Acetaminophen Polymorphs Through Environmental Control, Eleanor Lowe
Selective Melt Recrystallization Of Acetaminophen Polymorphs Through Environmental Control, Eleanor Lowe
Honors Theses
Polymorphism is the ability for a molecule to crystallize into multiple different structures in the solid state. The preparation of one polymorph over another is practically important to pharmaceutical development, as properties of polymorphs can vary and impact the drug delivery method. Polymorph outcomes depend heavily on the environment in which the crystal is nucleated, or initially formed. Acetaminophen, the active ingredient in Tylenol, is one example of a polymorphic compound. Here we use acetaminophen as a model system to better understand primary factors controlling polymorph selection and interconversion. We hypothesize a specific atmospheric environmental factor plays large role in …
Analysis Of Laminar Flow Patterns In Milifluidic Devices, Brian Leger
Analysis Of Laminar Flow Patterns In Milifluidic Devices, Brian Leger
Honors Theses
This research centers around a millifluidic device designed for the analysis of flowing chemical reactions that may happen too quickly to be analyzed by traditional spectroscopic methods. The device works by combining two simple concepts: fluid flows a certain distance over time and chemical reactions progress over time. Combining these allows for the correlation of reaction progress and distance through the device. Since the flow within the device is laminar, there is friction along the walls of the channel that creates a flow profile that elongates over time. The details of the flow were previously unknown but are necessary if …
Impact Of The Choice Of Acidic Buffers On The Electrochemical Reduction Of Hexavalent Chromium In Water, Devin D. Meche
Impact Of The Choice Of Acidic Buffers On The Electrochemical Reduction Of Hexavalent Chromium In Water, Devin D. Meche
Honors Theses
No abstract provided.