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Computational Analysis Of O6-Methylated Guanine And Thioguanine Complexes, Kirsten Stinson, Michael Bowman

Lux et Fides: A Journal for Undergraduate Christian Scholars

DNA methylation occurring on the O⁶ position of guanine has been linked to the formation of cancer. DNA complexes with O⁶-methylated guanine have been studied experimentally, yet questions remain concerning the carcinogenic properties of O⁶-methylguanine. This present research explored the interaction between O⁶-methylguanine and its potential nucleobase pairs of cytosine and adenine in hopes of elucidating the mutagenic characteristics of O⁶-methylguanine. A variety of computational methods including Density Functional Theory (DFT), Symmetry Adapted Perturbation Theory (SAPT), Noncovalent Interaction (NCI) analysis, and Natural Bond Orbital (NBO) analysis were employed to comprehensively probe …

General Chemistry Ii: Chem 2134, Subha Pratihar

ATU Faculty Open Educational Resources

No abstract provided.

Advancing Coupled Cluster Methods: Tensor Factorization And Analytic Gradient Implementation, Tingting Zhao

Chemistry Theses and Dissertations

With the rapid advancement of computing capabilities, computational chemistry has become increasingly indispensable in both experiment design and the interpretation of experimental outcomes. Wave-function-based quantum mechanistic methods are highly sought after for their ability to provide high-accuracy data and their potential for systematic improvement. However, to extend their applicability to larger molecules, it is essential to employ rank-reducing approximations to these methods. This dissertation dedicates Chapters Three and Four to the development of rank-reduced methodologies. Additionally, beyond single-point energies, molecular geometries and properties of molecule-excited states hold paramount importance across diverse fields of chemistry. Hence, Chapter Five presents the work …

Exploring The Potential Of Α-Aryl Substitution Of Gddota To Address Challenges Associated With Mri Contrast Agents., Charlene I. Kupara

Student Research Symposium

Gadolinium chelates have found widespread application as contrast agents in Magnetic Resonance Imaging (MRI) a cornerstone in modern medical diagnostics. In recent years two significant challenges have emerged to the use of Gd³⁺ chelates in MRI:

• The safety of these Gd³⁺-based agents, specifically related to the possible in vivo release of Gd³⁺.
• The environmental impact of anthropogenic Gd³⁺ pollution of surface waters arising from using contrast agents.

The escalating reports of Gd³⁺ presence in environmental matrices, and its adverse effects on marine life and human health, necessitate urgent intervention to mitigate consequential environmental …

Thermal Destabilization Of Azurin By Fatty Acid Ionic Liquids, Brandon Burrell, Austin K. Clark, Achismita Dutta, Esha Prajapati, Sierra Cottle, Andrew Ogungimi, Justin Burrell, Timothy D. Vaden

STEM Student Research Symposium Posters

Azurin is a mixed-structure redox protein involved in bacterial denitrification. Previous studies have shown that azurin is destabilized by imidazolium chloride ionic liquids (ImCl ILs) that can form micelles in aqueous solution, likely by micellar encapsulation. In these ImCl ILs the micelles form from the imidazolium cations. A relatively new class of ionic liquids is fatty acid ionic liquids (FAILs), in which the anion is a fatty acid. In FAILs micelles can form from the fatty acid anions. This presentation presents the results of a thermal unfolding study of azurin in the presence of FAILs in solution. The FAILs tetramethylguanidinium …

Argumentation And Debate In The High School Chemistry Classroom, Rachel Blais

Honors Projects

The primary focus of this study was to determine the implications of argumentation and debate in a high school chemistry classroom through the process of argument driven inquiry. Findings from a pre and post questionnaire and student reflections suggested that argument driven inquiry helped students with their critical thinking, interpersonal, and argumentative skills.

Commemorating Women Nobel Prize Laureates In Chemistry, Jordan Smith

Arkansas Women in STEM Conference

In this review study we describe contributions of women chemists who earned a Nobel Prize in Chemistry, notably the most prestigious award in the field. Based on our analysis of data, the number of women Nobel laureates in Chemistry is increasing with time. However, women still are the minority group compared to men in a pool of Nobel Prize winners in Chemistry.

In the current study we also compared women’s representation in chemistry to women’s representation in two other science fields of a Nobel Prize award: (i) Physics and (ii) Physiology or Medicine. Based on our analysis, the numbers of …

Adsorption Of Crystal Violet Dye From Synthetic Wastewater By Ball-Milled Royal Palm Leaf Sheath, Neloy Sen, Nawrin Rahman Shefa, Kismot Reza, Sk Md Ali Zaker Shawon, Md. Wasikur Rahman

Physics and Astronomy Faculty Publications and Presentations

The current study shows that using a batch approach to remove crystal violet dye from synthetic wastewater is feasible when using royal palm leaf sheath powder as an adsorbent. In order to investigate the effects of many parameters, including starting concentration, pH effect, dye concentration, adsorbent dose, contact time, and temperature, experiments were carried out under various operating conditions. Maximum removal was obtained at pH 6 and at a concentration of 100 ppm, which are considered as ideal values. The influence of pH and dye concentration was shown to be substantial. Langmuir, Freundlich, and Temkin isotherm models were fitted to …

Stereospecific Cross-Coupling Reactions Of Enantioenriched Secondary Alkyltricyclohexyltin Nucleophiles, Meruyert Binayeva

Dissertations, Theses, and Capstone Projects

Transition metal-catalyzed cross-coupling reactions have evolved into a remarkable instrument for the formation of new bonds, and have significantly impacted how we approach to access complex organic molecules. Palladium is currently one of the most popular elements for catalytic applications due to its ability to facilitate powerful carbon-carbon and carbon-heteroatom couplings. Traditional Pd-catalyzed cross-coupling reactions have primarily concentrated on C(sp2)-C(sp2) cross-couplings, yielding planar products. Considering the use of C(sp3) nucleophiles would offer a viable control of the three dimensional arrangement in molecules. Herein, the first chapter details the history and development of Pd-catalyzed Stille cross-coupling reactions. The use of configurationally …

Chem 125a-002: General Chemistry Lab I, Gu Pin

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 125a-004: General Chemistry Lab I, Gu Pin

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 125a-006: General Chemistry Lab I, Gu Pin

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 126a-104: Gen Chemistry Lab Ii, Pacheco Carlos

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 221-102: Analytical Methods, Gu Pin

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 236-002: Physical Chem Fro Chem Engrs, Peels Mieke

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 244a-002, 008, 106: Organic Chemistry I Lab, Hussain Mustansar

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 244a-006: Organic Chemistry Lab, Lu Chunmeng

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 244a-104: Organic Chemistry Lab, Lu Chunmeng

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 412-102: Inorganic Chemistry, Eberhart Michael

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 474-102: Biochemistry Ii, Farinas Edgardo

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 475-101: Biochemistry Lab, Farinas Edgardo

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 480-102: Instrumental Analysis, Hussain Mustansar

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 610-102: Advanced Inorg Chemistry, Eberhart Michael

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 673-104: Biochemistry, Depaolo Patrick

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 702-102: St:Green Chemistry, Omowunmi Sadik

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 777-104:Principles Pharm Chemistry, Depaolo Patrick

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Evsc 325-102: Energy And Environment, Meng Xianyang

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Evsc 340-452: Environmental Health, Bonchonsky Michael

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Evsc 623-852: Environmental Health, Bonchonsky Michael

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 125a-104: General Chemistry Lab I, Gu Pin

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.