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Anisotropic shock response of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB)
(University of Missouri--Columbia, 2020)
The thermo-mechanical response of shock-induced pore collapse has been studied using non-reactive all-atom molecular dynamics (MD) and Eulerian continuum simulations for the molecular crystal 1,3,5-triamino-2,4,6-trinitrobenzene ...
Development of highly selective fluorescent sensors for detection of glycolipids in vesicles and visualization of glutamate for neuronal imaging
(University of Missouri--Columbia, 2020)
[ACCESS RESTRICTED TO THE UNIVERSITY OF MISSOURI-COLUMBIA AT REQUEST OF AUTHOR.] Fluorescent sensors are very useful tools for exploring chemical biology and advanced medical research. Herein, we propose four different ...
Oxidative molecular layer deposition of redox-active thin-film polymers
(University of Missouri--Columbia, 2022)
Thin film materials research for a more sustainable future is growing rapidly and new techniques for depositing these films are beginning to surface. One such technique is highlight in this body of work using gaseous ...
Novel insights into strand cleavage at an abasic site in DNA
(University of Missouri--Columbia, 2022)
Loss of a nucleobases from the deoxyribose backbone of DNA generates Abasic sites in DNA. Abasic sites are the most common unavoidable DNA damage lesion. It is important to understand the properties of Abasic site. The ...
A study of bacterial cellulose confined ionic liquid and deep eutectic solvent gel materials
(University of Missouri--Columbia, 2020)
[ACCESS RESTRICTED TO THE UNIVERSITY OF MISSOURI--COLUMBIA AT REQUEST OF AUTHOR.] Pollutants have become more prevalent in the air, water, and ground, necessitating the development of technologies that would help, limit, ...
Quantum aspects of roaming dynamics
(University of Missouri--Columbia, 2020)
Decades of experimental and theoretical achievements built on the foundations of thermochemistry and quantum mechanics have birthed the field of molecular dynamics where intimate details of individual reactive events can ...
An evaluation of the need for critically refined purification procedures in fluorescent carbon dot syntheses : the ramifications of the ubiquitous presence of reaction by-products on quenchometric and light harvesting applications
(University of Missouri--Columbia, 2021)
Fluorescent carbon dots constitute a novel and intriguing class of nanocarbons that display unique optical properties and can be purportedly generated from virtually any carbon-containing source. For example, the thermal ...
Probing synthesis of L-ascorbic acid in Arabidopsis thaliana genotypes
(University of Missouri--Columbia, 2021)
L-Ascorbic acid (L-AsA), also known as vitamin C, is a crucial vitamin for both plants and animals due to its antioxidant properties and abilities to scavenge harmful reactive oxygen species (ROS). However, some animals ...
Spectroscopic studies of transmembrane helical peptides and LC-MS/MS method development and validation for PFAS quantitation
(University of Missouri--Columbia, 2022)
Water hydrogen bonding (H-bonding) to [alpha]-helical transmembrane (TM) peptides is fundamental to understanding the behavior and function of [alpha]-helical peptides, disease pathways, and the development of new drugs. ...
Acrylate synthesis from carbon dioxide - ethylene coupling catalyzed by first-row transition metal complexes
(University of Missouri--Columbia, 2021)
Carbon dioxide (CO2) is an abundant and renewable carbon source than can be used as feedstock for the synthesis of value-added materials. One such material is acrylic acid, and acrylate derivatives, which can be used in ...
Reactivity of lesions derived from abasic (AP) sites in DNA
(University of Missouri--Columbia, 2021)
DNA is vital to cellular function. Therefore, maintaining the integrity of the structure of DNA is of the utmost importance. Damage to the DNA is unavoidable and can be detrimental to organisms. Abasic (Ap) sites are the ...
Radiotracers for examining biological functions of plants and microbes
(University of Missouri--Columbia, 2021)
Tracers are used for qualitative and quantitative investigation of a system. Radiotracers have a radionuclide to observe chemical or biological processes by detection of the radionuclide's decay energy. They are non-disruptive ...
Self-assembly of functional metal-seamed pyrogallol[4]arene nanocapsules
(University of Missouri--Columbia, 2022)
C-alkylpyrogallol[4]arenes (PgCns, where n is the represents pendant alkyl chain lengths), bowl-shaped macrocycles, upon deprotonation, can self-assemble with metal ions into dimeric (M8L2) and hexameric (M24L6) metal-organic ...
Synthesis and characterization of cerium (III) and (IV) compounds
(University of Missouri--Columbia, 2022)
Treatment of Cp*2CeCl2K with various aryl alcohols and amines produces Cp*2Ce(O- 2,6-iPr2C6H3) and Cp*2Ce(N(C6H5)2). The crystallographic structures are presented as well as their fluorescence. Absorbance measurements ...
Measurement of radionuclides in biological tissues from occupationally exposed individuals
(University of Missouri--Columbia, 2022)
Keratinous materials have the potential to be used in criminal investigation of individuals who participate in nuclear smuggling or in the production of clandestine nuclear weapons. To develop the keratin biomonitor, its ...
Development of food adulteration detection methods utilizing NMR spectroscopy
(University of Missouri--Columbia, 2022)
Food adulteration is the act of diluting foodstuffs with undeclared fillers or outright substitution with other materials. While this practice has occurred since the dawn of recorded history it has remained difficult to ...
Strategies for colloidal metal nanocrystal synthesis in deep eutectic solvents
(University of Missouri--Columbia, 2022)
Noble-metal nanocrystals have a wide range of applications in a variety of areas, including catalysis, electronics, optical sensing, and biomedicine. Despite the fast-growing number of reports on synthetic techniques for ...
Experimental and theoretical studies of CO2 capture from air and of crystalline, ferroelectric, non-linear optical materials
(University of Missouri--Columbia, 2022)
The combination of experimental and computational chemistry gives us a chance to explore organic materials with more breadth and depth. In this dissertation, we studied different organic materials with both experimental ...
Investigation of CO2 capture systems, Lewis acid-base pairs, and oscillating reactions with electronic structure theory and kinetics-based approaches
(University of Missouri--Columbia, 2020)
Equilibrium is a key theme in chemistry education. Starting in high school and continuing in freshman general chemistry courses, STEM students have to learn the foundations of equilibria. What is the key concept of an ...
Structural and kinetic studies of human aldh7a1 and aldh9a1
(University of Missouri--Columbia, 2021)
The regulation and detoxification of endogenously and exogenously derived aldehydes is paramount to cellular survival due to the highly reactive nature of aldehydes as electrophiles. Human aldehyde dehydrogenases (ALDHs) ...