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Novel syntheses and behavior of precious metal nanoparticles
(University of Missouri--Columbia, 2019)
[ACCESS RESTRICTED TO THE UNIVERSITY OF MISSOURI--COLUMBIA AT REQUEST OF AUTHOR.] In this work, I report the detailed syntheses of both gold-doped iron oxide (Au@Fe2O3) and silver nanocrystals (AgNCs). The Au@Fe2O3 was ...
The investigation of the self-assemblies of pyrogallol [4] arenes with large metal ions
(University of Missouri--Columbia, 2022)
Supramolecular chemistry involves the study of the non-covalent interactions between molecules. Host molecules such as C-pyrogallol[4]arenes form complexes via these supramolecular interactions. Pyrogallol[4]arenes are ...
Mixed quantum-classical simulations of intersystem crossing in the exit channel and vibrational adaptive sampling configuration interaction
(University of Missouri--Columbia, 2022)
A computational study using mixed quantum-classical surface hopping simulations was performed for the reaction of O(3P) with dimethylamine and trimethylamine. These reactions produce an OH radical and while the OH radical ...
Investigation of the thermostability and activity of biomolecules in bio-friendly deep eutectic solvents
(University of Missouri--Columbia, 2023)
The solvent environment of a biomolecule is critical to its optimal performance in various scenarios, including biocatalysis, drug delivery, therapeutics, and biosensing. This dissertation mainly discusses the implementation ...
Molecular dynamics simulations of shock-induced pore collapse in single crystal [beta]-HMX
(University of Missouri--Columbia, 2023)
This thesis presents all-atom classical molecular dynamics (MD) simulations of shock-wave passage across a pore-type defect in single-crystal [beta]-1,3,5,7-tetranitro-1,3,5,7-tetraocane ([beta]-HMX). The purpose of this ...
Systematic evaluation of the effects of ammonium-based deep eutectic solvent chemistry on the performance of dye-sensitized photovoltaic solar cells
(University of Missouri--Columbia, 2023)
The enthusiasm for renewable energy technologies is growing exponentially, with researchers from various fields actively engaged in the development of more sustainable and environmentally friendly solutions. Deep eutectic ...
The use of pluripotent stem cells as a model for early human placentation
(University of Missouri--Columbia, 2018)
[ACCESS RESTRICTED TO THE UNIVERSITY OF MISSOURI AT AUTHOR'S REQUEST.] Throughout gestation, the placenta plays a critical role in ensuring proper development of the fetus. The placenta functions to exchange nutrients, ...
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 ...
Strategies for metal colloidal nancrystal synthesis in sustainable media
(University of Missouri--Columbia, 2019)
[ACCESS RESTRICTED TO THE UNIVERSITY OF MISSOURI AT REQUEST OF AUTHOR.] Over the past decades, the Green Chemistry and Sustainability concept has aroused researchers to denounce their traditional ways of thinking regarding ...
Sustainable chemical approaches to two-dimensional nanosheets and mesoporous platforms and catalysts
(University of Missouri--Columbia, 2017)
[ACCESS RESTRICTED TO THE UNIVERSITY OF MISSOURI AT AUTHOR'S REQUEST.] Green Chemistry, also called as Sustainable Chemistry, envisions minimum hazard to improve the efficiency and performance of materials while designing ...
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 ...
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, ...
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 ...