Physical Sciences and Mathematics Commons^™

A Computational Study Of Adsorptive Desulfurization In Metal Organic Frameworks, Kyle Concha

Theses

Fossil fuel usage has been related to several concerns about the environment and human health. One of these concerns is related to fuels containing Organic Sulfur Compounds (OSCs) which upon burning produce hazardous compounds such as SO₂ which contributes to acid rain and affects respiratory health. Removal of these OSCs is an important field of study as it can prevent the production of SO_x compounds. One technique to remove OSCs is Adsorptive Desulfurization (ADS) in which Metal Organic Frameworks (MOFs) are potential candidates to be used as adsorbents. Two archetypal MOFs, HKUST-1 and Cu₃HHTP₂, …

From Small Molecules To Infinite Crystals: Probing Noncovalent Interactions Through Vibrational Spectroscopy, Sadisha Nanayakkara

Chemistry Theses and Dissertations

During my four years in the CATCO group supervised by Dr. Kraka, I have been exposed to various topics targeted to address a multitude of chemical problems, broadening our knowledge of modern chemistry research as we know it. In undertaking the age-old problem of understanding the nature of chemical bonding, I could modestly contribute with my work, using in-house tools based on vibrational spectroscopy.

First part of my dissertation is focused on inventing new methods and tools to efficiently investigate chemical bonding, followed by the study of some non-covalent interactions, imperative in catalysis and solid-state chemistry. This includes analysis of …

Electrostatic Denaturation Of Dna-Cisplatin Adducts, Eddie Madrigal

Master's Theses

In this thesis, electrochemical approaches are used to determine the properties of deoxyribonucleic acid (DNA) by electrostatic denaturation. The electrochemical routine involves an application of a destabilization potential, an equilibration potential, and a square wave voltammogram (SWV) to monitor the extent of melting. Our method uses a monolayer consisting of thiol modified DNA and mercaptohexanol on a gold electrode. These electrodes are then incubated in a complementary sequence tagged with methylene blue. By using our electrostatic denaturation technique, different parameters are explored, such as surface densities, surface coverages, and ionic strengths. As proof of concept, these techniques were applied toward …

I. Non-Degradable Polysiloxane Networks For Controlled Release Applications, And Ii. Additive Free, Degradable Silyl-Ether Furyl-Maleimide Networks, Caleb M. Bunton

Chemistry Theses and Dissertations

I. Two different series of non–degradable polysiloxane networks were prepared for the encapsulation and controlled release of a small molecule agent. For the first series, hydrosilylation was utilized to prepare networks of varying crosslink densities, as determined from swelling studies, from vinyl terminated and silylhydride functional poly(dimethyl)siloxanes. For the second series, the thiol-ene reaction was utilized to prepare networks of varying crosslink densities, as determined from swelling studies, from vinyl terminated and mercaptopropyl functional poly(dimethyl)siloxanes. Nile red dye was used as an encapsulated agent and dye release from each series of networks was measured using UV–vis spectroscopy to determine controllability …

Chemistry In Art: The Science Of Dye, Madeleine Gray Burland

Honors Projects

Fabric arts, and the practice of dyeing fabric using various resist techniques, is a tradition that goes back centuries, and is unique among art mediums in its relation to science, as the innovations in dye production have directly affected the art form. The development of synthetic dyes in the 1800’s greatly affected the way fabric is dyed, and subsequently the way clothes were made and consumed. As opposed to dyes made of natural materials, synthetic dyes cam in more colors, were brighter, easier to make in large quantities, and lasted longer since they didn’t fade with repeated washings. The practice …

The Roundtable Of Scientific Communication: From Classroom To Course Creation, Back To Classroom And Beyond, Sean P. Hickey

University of New Orleans Theses and Dissertations

This research encompasses many aspects of chemical education research including curriculum and pedagogical changes to the freshman and sophomore courses. Curriculum changes included the addition of recitations to the general chemistry and organic chemistry lectures and the creation of four new classes, CHEM 1001, 1002, 3091, and 3092. The addition of recitations was not limited to but was focused on improving DFW rates for these courses.

CHEM 3091 and 3092 are chemistry internship and undergraduate teaching assistant classes. These courses were necessary to offer outside internship opportunities and training for undergraduate teaching assistants, respectively. CHEM 1001 and 1002 are chemistry …

Unravel Allostery Mechanism Through Molecular Dynamic Simulations With Machine Learning Approaches, Hongyu Zhou

Chemistry Theses and Dissertations

Allostery is referred to as protein function changes due to external perturbations, and ubiquitous in the living cells. Investigation of the allosteric mechanism is essential for developing drugs or assisting protein engineering. Recently, the population shift model has been proposed to explain the allosteric mechanism. This model emphasizes the importance of conformational distribution in the allostery. In the past several years, I have been continuously working on developing computational methods to explore and quantify protein allostery mechanism. By fully utilizing protein simulation results, several machine learning related methods have been applied to protein systems to investigate the underlying conformational changes …

Quantitative Analysis Of Bleomycin In Rat Plasma By Lc-Ms/Ms, Huawen Li

ETD Archive

Bleomycin is the most commonly used compound in its group of antineoplastic drugs. It works on tumor cells by single and double stranded DNA cleavage after its activation, in which it blocks tumor cells’ DNA replication or transcription activities to inhibit tumor cells’ growth. Bleomycin sulfate (Blenoxane) is the most popular preparation used in clinical research, and contains Bleomycin fractions of A2 and B2, which causes difficulties in quantitative analysis. This work uses the metal chelating property of Bleomycin as an advantage to simplify and improve sensitivity of existing quantitative methods. Copper was spiked in excess to plasma samples, followed …

Tying The Knot: Applications Of Topology To Chemistry, Tarini S. Hardikar

Honors Theses

Chirality (or handedness) is the property that a structure is “different” from its mirror image. Topology can be used to provide a rigorous framework for the notion of chirality. This project examines various types of chirality and discusses tools to detect chirality in graphs and knots. Notable theorems that are discussed in this work include ones that identify chirality using properties of link polynomials (HOMFLY polynomials), rigid vertex graphs, and knot linking numbers. Various other issues of chirality are explored, and some specially unique structures are discussed. This paper is borne out of reading Dr. Erica Flapan’s book, When Topology …

The Development Of An Effective Water-Soluble Receptor For Pyrene Derivative Dyes, Ashley Longstreet

Undergraduate Theses and Capstone Projects

A receptor with enhanced water solubility was synthesized from an existing receptor to be used as a pyranine fluorescence quencher in endovesiculation detection assays. The existing receptor consisted of a cyclen core with four protruding arms containing an aryl nitro group at each end. Its poor water solubility limited the accuracy and precision of the endovesiculation assay because the low concentration of receptor did not match the concentration of pyranine. To increase the water solubility, ethoxy groups were attached to the ends of each arm by first selectively reducing the nitro group to an amine with NaBHU4, H2, and a …

An Investigation Of Communication Patterns And Strategies Between International Teaching Assistants And Undergraduate Students In University-Level Science Labs, Barbara Elas Gourlay

Master's Theses, Dissertations, Graduate Research and Major Papers Overview

Investigates communication between international teaching assistants and their undergraduate students in university-level chemistry labs. Qualitative and quantitative data from observations and interviews with study participants guide the analysis of laboratory interactions, which examines patterns of conversational listening. Results reveal that successful communication depends on teaching assistant listening comprehension skills and on the coordination of verbal and visual (gestural and physical resources) sources of information.

Synthesis Of Aspernigrin A, Erica Joerger

Undergraduate Theses and Capstone Projects

Aspernigrin A is a compound correlated with inhibiting the growth of cancer cells in the colon. A five-step synthesis was designed for aspernigrin A, projected to yield four intermediates and the final product. The intermediates were analyzed by high field 1HNMR and FT-IR spectroscopy before proceeding to the next step. A model pyridone ring system was successfully prepared from a commercially available pyrone precursor in two steps. These results provide a proof of concept that the synthetic scheme should successfully yield the natural product.

Polarography Of Selected Metal Ions In Anhydrous Aliphatic Diamines, Frederick William Foss Jr.

University of the Pacific Theses and Dissertations

A search of the literature revealed that no study has sought to measure and compare the polarographic solvent properties of the anhydrous aliphatic diamines. In fact, there has been no reported instance of the use of anhydrous 1,3-propanediamine or 1,4-butanediamine in any electro- chemical system.

The Development Of Colloid Chemistry, Oscar A. Bouise

Electronic Thesis and Dissertation

At first, it was as a blur, that had shrouded a great mystery for ages and ages, until some seventy odd years ago. Then came Thomas Graham, who could not satisfy himself with merely viewing a blur as a blur. Being a scientist, he applied his mind experimentally, which the keen precision of any of the eminent astronomers using a telescope, and viewed more clearly this mist which hovered above the horizon.