Physical Sciences and Mathematics Commons^™

Quantum Chemical Studies Of Noncovalent Interactions And Multicenter Bonds Utilizing Local Vibrational Modes, Vytor Oliveira

Chemistry Theses and Dissertations

Noncovalent interactions play an important role for the design of novel drugs, better catalysts, synthesis of complex supramolecular structures, and so on. To develop new materials, a well-founded knowledge of how to control the strength of these interactions is desirable. Despite the many investigations done so far, a quantitative assessment of the intrinsic strength of most types of noncovalent interactions is still missing. Recently and for the first time, the Konkoli-Cremer local modes analysis was successfully used to probe the intrinsic strength of hydrogen and pnicogen bonds. We extended these investigations to more than 300 halogen and chalcogen bonds. A …

Chemistry Department Newsletter 2017, Ken Overway

Chemistry Department Newsletters

This document contains a summary of news and events from the chemistry department from the 2016-2017 academic year.

The Cosm Newsletter

The COSM Newsletter (2008-2018)

• Faculty and Staff presented with COSM Awards of Excellence
• Biology Undergraduate and Graduate Student News
• Kane Lab News
• Biology Alumni: Points of Pride
• Biology Faculty and Staff News
• Other Biology Departmental News
• Chemistry Alum featured in JAAS
• Georgia Southern University Sea Turtle Program at St.Catherines Island: 2017
• Season
• Diamondback Terrapin Project
• Gopher Tortoise Program
• Experiential Learning for Teachers
• Math Faculty News
• Math Departmental News
• The Planetarium's Adventure to see the Eclipse
• Mark Edwards, Ph.D., receives $165,000 NSF grant to study ultracold gases
• Physics Faculty and Students Published
• Physics Faculty participate in summer scholarly activities
• Physics students present at the American …

College Of Science And Mathematics Newsletter, Fall 2017, College Of Science And Mathematics, Wright State University

College of Science and Mathematics Newsletters

This 6 page newsletter discusses various happenings within the College of Science and Mathematics. It begins with a letter from the dean, and continues on with news, events, alumni news, and other community news.

The Periodical Fall 2017, Southern Adventist University

the Periodical – Chemistry Department Newsletter

Volume 5, issue 1 of the Periodical includes articles about new assistant professor Nuvia Saucedo, student missions in Peru, forensic chemistry summer camp, and a pictorial listing of December 2017 graduates.

Chemistry And Biochemistry News, Georgia Southern University

Department of Chemistry and Biochemistry News (2015-2023)

• Chemistry Faculty Win Excellence Awards

Metal Oxyhalides And Halides For Use As Electrode Materials In Li-Ion Batteries, Jonathan Mark Powell

Doctoral Dissertations

Synthesis of select metal halides and oxyhalides are explored in the form of direct fluorination using a fluidized bed reactor system, direct chlorination using hydrogen chloride gas, and a degradation dehydration reaction as novel methods towards the synthesis of these select metal halides and oxyhalides. The flexibility of the direct fluorination technique is demonstrated by the ability to vary the degree of fluorination based on the reaction conditions of temperature, time, and fluorine concentration. Conversion electrodes in the form of metal halides and metal oxyhalides are investigated as both anode and cathode materials for lithium ion batteries. The resulting electrochemical …

Multi-Scale Assembly Methodologies Of Poly(3-Hexylthiophene) Derivative Systems For Enhanced Optoelectronic Anisotropy, David William Bilger

Master's Theses

Conjugated polymers represent a class of semi-conducting materials with numerous applications in optoelectronic devices, including organic light-emitting diodes, field-effect transistors, and photovoltaics. Because of the numerous advantages of macromolecular systems, including solution processing and mechanical flexibility, conjugated polymers have become a burgeoning field of research with the hopes of producing cost-effective solution-based electronics. Importantly, optoelectronic device performance is heavily influenced by conjugated polymer backbone orientation and overall thin film morphology. As such, the processing conditions of these systems are important to the construction of high- performance optoelectronics. Polythiophenes are model conjugated polymers that have been studied extensively in halogenated organic …

Chemistry And Biochemistry News, Georgia Southern University

Department of Chemistry and Biochemistry News (2015-2023)

• Chemistry Honors Day

Cadmium Chloride Dimensionality Changes From Ortho-Substituted Anilines, Stephanie Cernicek

Dissertations

Inorganic-organic hybrid metal halide materials have been of great interest recently due to the useful properties offered by such a combination. The inorganic portions usually consisting of MX₆^2- subunits, (M = Pb, Sn, Cd, Cu; X = Cl, Br, I) most often form 2-D perovskite layers where the metals are bridged by corner sharing halides. The organic portion, usually consisting of primary amines or anilines provides a template for the inorganic framework and in some cases, dictates the dimensionality (2-D, 1-D, 0-D) of the network. These materials have various applications in host-guest chemistry catalysis, and gas storage, or …

College Of Science And Mathematics Newsletter, Summer 2017, College Of Science And Mathematics, Wright State University

College of Science and Mathematics Newsletters

This 7 page newsletter discusses various happenings within the College of Science and Mathematics. It begins with a letter from the dean, and continues on with news, events, alumni news, and other community news.

Principles Of Chemistry I Lab (Clayton), Tatiana Krivosheev, Caroline Sheppard, Patricia Todebush, Bram Boroson, Justin Mays

Chemistry Grants Collections

This Grants Collection for Principles of Chemistry I was created under a Round Four ALG Textbook Transformation Grant.

Affordable Learning Georgia Grants Collections are intended to provide faculty with the frameworks to quickly implement or revise the same materials as a Textbook Transformation Grants team, along with the aims and lessons learned from project teams during the implementation process.

Documents are in .pdf format, with a separate .docx (Word) version available for download. Each collection contains the following materials:

• Linked Syllabus
• Initial Proposal
• Final Report

Principles Of Chemistry Ii Lab (Clayton), Tatiana Krivosheev, Caroline Sheppard, Patricia Todebush, Bram Boroson, Justin Mays

Chemistry Grants Collections

This Grants Collection for Principles of Chemistry II was created under a Round Four ALG Textbook Transformation Grant.

Affordable Learning Georgia Grants Collections are intended to provide faculty with the frameworks to quickly implement or revise the same materials as a Textbook Transformation Grants team, along with the aims and lessons learned from project teams during the implementation process.

Documents are in .pdf format, with a separate .docx (Word) version available for download. Each collection contains the following materials:

• Linked Syllabus
• Initial Proposal
• Final Report

Principles Of Chemistry I Lab (Jupyter), Tatiana Krivosheev, Caroline Sheppard, Patricia Todebush, Bram Boroson, Justin Mays

Chemistry Ancillary Materials

This collection of open laboratory materials for Principles of Chemistry I was created under a Round Four ALG Textbook Transformation Grant. These materials require the open source Jupyter application.

Affordable Learning Georgia Grants Collections are intended to provide faculty with the frameworks to quickly implement or revise the same materials as a Textbook Transformation Grants team, along with the aims and lessons learned from project teams during the implementation process.

Hydrogeology Of Salt Karst Under Different Cap Soils And Climates (Persian Gulf And Zagros Mts., Iran), Jiri Bruthans, Jiri Kamas, Michal Filippi, Mohammad Zare, Alan L. Mayo

International Journal of Speleology

Southern Iran hosts abundant salt karst phenomena in numerous salt diapirs. This paper provides a new insight into the relationships among climate, cap soil and salt karst hydrogeology. Cave systems were documented and mapped. Soil, drip, stream, and flood waters from different environments were studied at several diapirs. It was revealed that the soil water chemistry depends on both the climate and cap soil thickness. In semi-arid climates, a thick cap soil forms (>3 m) and water has very low TDS values (0.15 g/l). In arid climates, a shallow cap soil forms, and soil water is gypsum-saturated with low …

Surface Mutation Thr34his Facilitates Purification Of Haemophilus Influenza Carbonic Anhydrase Via Metal Affinity Chromatography, Caroline Foley, Dr. Kathleen Cornely

Chemistry & Biochemistry Student Scholarship

In order to pursue Haemophilus influenza carbonic anhydrase (HICA) as a potential drug target, easy and efficient purification methods must be developed. While immobilized metal affinity chromatography (IMAC) may be used, complications with polyhistidine tags is a concern. Inspired by the endogenous metal affinity of Escherichia coli β-carbonic anhydrase (ECCA), we suggest that the generation of histidine clusters on HICA’s surface will facilitate its purification by metal affinity chromatography without the potential interference of His-tags. Here we investigate the Thr34His mutation as a method to generate metal affinity in HICA. Since Thr34His is located only 5.3 Å away from His32, …

Ion Separations: Achieving Selectivity Through Rational Design In Solvent Extraction And Crystallization Systems, Neil Justin Williams

Doctoral Dissertations

The selective separation of ions from aqueous solutions has been a difficult challenge to address in the separation sciences. The difficulties associated with selective separations of ions are due to a multitude of chemical and physical differences between them. Additionally, the term ions encompass both positively charged cations and their counter parts the negatively charge anions. The work covered in this dissertation discusses the difficulties encountered during the selective separation of both oxoanions and cations. Apart from the Introduction Chapter 1 and Conclusion Chapter 10, the selective separations oxoanions and cations will be discussed separately with the dissertation being …

Pro- And Antioxidant Activity Of Selenomethionine: Preventative Measures Against Metal-Mediated Dna Oxidation, Austin Mroz

Graduate Theses - Chemistry and Biochemistry

DNA damage by reactive oxygen species (ROS) has been linked to several diseases.

Antioxidants are one method of combating the effects of ROS; selenium-containing antioxidants have shown promise in alleviating in vitro DNA damage. This study aims toelucidate the effects of selenomethionine (SeMet) on DNA damage mediated by Cu(II),Fe(II), or Cr(III) metal ions. HPLC analysis was used to probe the oxidative effects of SeMet by quantifying the oxidative damage marker, 8-hydroxy-2’-deoxyguanosine. Prior literature indicates that the antioxidant activity of SeMet is potentially concentration dependent; however, HPLC results in this study indicate a metal-ion dependency. In order to better understand the …

An Electrochemical Characterization Of A Vanadium-Based Deoxydehydration Catalyst, Joel Eric Baker

Graduate Theses and Dissertations

Alternative methods for the conversion of polyols into olefins, be it for carbon storage or hydrocarbon fuel production, have become prevalent in today’s chemical industry. One process in particular, deoxydehydration (DODH) has been proven effective in taking sustainable biomass derivatives and converting them through the utilization of various homogenous metal catalysts. While this process may show productive yields and material conversion, it is hindered by the need of a sacrificial reductant. This makes a novel process economically unviable and relatively unused outside of scientific research. That fact begs the question: Can the process be improved? It is proposed here that …

Persistence In Stem: Development Of A Persistence Model Integrating Self-Efficacy, Outcome Expectations And Performance In Chemistry Gateway Courses, Shalini Srinivasan

Theses and Dissertations

STEM persistence has been an important issue, especially in the context of underrepresented groups based on race and gender. Researchers in the last decade or so have been examining the powerful impact that affective and cognitive factors can exert individually on performance and persistence. It is only reasonable to hypothesize that combining affective and cognitive measures would offer a more thorough understanding of factors that impact students’ performance and STEM persistence. Evaluating these outcomes in the context of gateway courses is particularly essential due to the non-negligible percentage of students who drop out of these courses or decide to change …

College Of Science And Mathematics Newsletter, Spring 2017, College Of Science And Mathematics, Wright State University

College of Science and Mathematics Newsletters

This 9 page newsletter discusses various happenings within the College of Science and Mathematics. It begins with a letter from the dean, and continues on with news, events, alumni news, and other community news.

Session A-1: Bca Method, Focusing On Mole Ratios In Stoichiometry, Carmela Jones, Deb Scarano, Anita White

Professional Learning Day

Traditionally stoichiometry is done using dimensional analysis. Although effective, it is confusing, messy, and does not focus on mole ratios. On the other hand, the BCA method (Before-Change-After), is clear, clean, and highlights the mole ratios in a chemical reaction. Participants will collect mass data in an experiment and learn how to use a BCA table. Teachers will bring the BCA method back to their classrooms and provide an extremely useful tool for the next generation of chemistry savvy students.

The Periodical Winter 2017, Southern Adventist University

the Periodical – Chemistry Department Newsletter

Volume 4, issue 2 of the Periodical includes articles about the Chemistry Club's service activities, a student missions feature, student research at N.C. State, a pictorial directory of May 2017 graduates, and an alumni spotlight.

Synthesis Of 4-Iodo-3-(2-Iodoaryl) And 4-Bromo-3-(2-Bromoaryl) Sydnones And Their Reactions With Sodium Sulfite, Sodium Borohydride, And Iodine Monochloride, Kyle Jacob Liddy

Browse all Theses and Dissertations

One goal of the Turnbull research group has been the synthesis of dihalogenated arylsydnones; i.e. sydnones with halogen substitution on the sydnone ring itself, as well as at the position on the aryl ring ortho to the sydnone. Further, it has been of interest to explore the reactivity of these compounds, once obtained. The present study examined the synthesis of 4-iodo-3-(2-iodoaryl)-, or “diiodo”, and 4-bromo-3-(2-bromoaryl)-, or “dibromo”, sydnones and the reactions of these compounds with Na2SO3 (sodium sulfite) and NaBH4 (sodium borohydride) to create a better understanding of the reactivity of diiodo and dibromo arylsydnones in general. Additionally, the reactivity …

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 …

Using Nucleotide Analogs As Biochemical Probes To Evaluate The Mechanisms Involved In Translesion Replication By A High Fidelity Dna Polymerase, Anvesh Dasari

ETD Archive

Translesion DNA synthesis (TLS) allows DNA polymerases to incorporate nucleotides opposite and beyond damaged DNA. This activity is an important risk factor for the initiation and progression of genetic diseases including cancer. My study evaluates the ability of a high-fidelity DNA polymerase to perform TLS with 8-oxo-guanine, a pro-mutagenic DNA lesion formed by reactive oxygen species. Using modified purine and non-natural indole analogs as biochemical probes, I have evaluated the influence of desolvation, hydrogen bonding interactions, and shape complementarity towards nucleotide binding and incorporation opposite the miscoding lesion 8-oxo-guanine by the high fidelity gp43exo- DNA polymerase. In Chapter II, I …

Identification Of “Kratom” (Mitragyna Speciosa) Alkaloids In Commercially Available Products, Julia Grzymkowski, Michelle R. Peace, Justin Poklis

Undergraduate Research Posters

“Kratom” is the common name for the botanical mitragyna speciosa. It is a tree native to Southeast Asia in which leaves contain the psychoactive alkaloids mitragynine and 7-hydroxymitragynine. Kratom is often ingested as teas, chewed, or smoked. It acts as a stimulant in small doses and as an opioid in large doses. Overdoses can result in vomiting, seizures, and death. Recently the Drug Enforcement Agency (DEA) placed Kratom on Schedule 1, but, due to public outcry, it was almost immediately removed.

Eleven kratom based products were obtained from various tobacco shops, “headshops” and via the internet including: Choice brand …

Liposome-Coated Magnesium Phosphate Nanoparticle For Delivery Of Cytochrome C Into Lung Cancer Cells A549, Weizhou Yue

University of the Pacific Theses and Dissertations

Proteins are large biomolecules that have great therapeutic potential in treating many human diseases. However, chemical/enzymatic degradation, denaturation, and poor penetration into cells are some of the challenges for clinical use of intracellular proteins.

Previously, our group has developed cationic lipid-coated magnesium phosphate nanoparticle (LP MgP NP-CAT) formulations to enhance the intracellular delivery of the negatively charged protein catalase. The goal of the current research is to develop a formulation to deliver cytochrome c (CytC), a positively charged protein into lung cancer cells A549. Specifically, this thesis research prepares and tests liposome-coated magnesium phosphate nanoparticle for delivery of cytochrome c …

Synthetic Methods For Ester Bond Formation And Conformational Analysis Of Ester-Containing Carbohydrates, Sven Hackbusch

University of the Pacific Theses and Dissertations

This dissertation encompasses work related to synthetic methods for the formation of ester linkages in organic compounds, as well as the investigation of the conformational influence of the ester functional group on the flexibility of inter-saccharide linkages, specifically, and the solution phase structure of ester-containing carbohydrate derivatives, in general.

Stereoselective reactions are an important part of the field of asymmetric synthesis and an understanding of their underlying mechanistic principles is essential for rational method development. Here, the exploration of a diastereoselective O-acylation reaction on a trans-2-substituted cyclohexanol scaffold is presented, along with possible reasons for the observed reversal of stereoselectivity …

Improvement And Development Of Analytical Forensic Methods: Arson Investigation And Drug Detection In Fingerprints And Hair, Sarah Anne Glenn

Electronic Theses and Dissertations

Forensic science is the cornerstone of criminal investigations. Due to the overexposure of forensic science in the media, the true nature of forensic science is often overlooked. Forensic science is a rigorous exacting science that applies methods developed in the wider scientific community to the analysis of evidence collected from crime scenes. As far back as the 6th century people were using forensics to solve crimes. Since then the science behind forensic science has increased exponentially with new methods being researched and developed. This research aims to address two of the larger subsections of forensic science, arson and drug detection. …