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Some of the material in is restricted to members of the community. By logging in, you may be able to gain additional access to certain collections or items. If you have questions about access or logging in, please use the form on the Contact Page.
Petroleum, one of the most complex mixtures on Earth, has been extensively studied for decades. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) and the ultrahigh resolution it provides, however, has dramatically...
This dissertation presents and evaluates the structure-sensitive optical and electronic properties of gold nanostructure systems: plasmonic gold nanoparticle networks and monolayer-protected gold nanoclsuters. Plasmonic nanoparticle...
Nanoparticle based cellular therapies hold great promise for clinical applications and medicinal use in human patients by allowing for targeted delivery of a personalized medicine payload to specific cells and tissues in a variety of...
In Chapter I, the photochemistry of enediynes is reviewed. Photo-Bergman cyclization, C1-C5 photocyclization and other photochemical reactions of alkynes in the enediyne moiety are discussed. DNA cleavage by photochemically activated...
Vortex waves are striking spatial-temporal patterns and observed in diverse systems, such as active galaxies, catalytic reactions, and even biological systems. In the heart, vortex patterns of electrical waves are linked to ventricular...
Cascade radical transformations of acyclic precursors that incorporate alkynes open efficient, convenient, and atom-economical access to functionalized compounds. The selective sequence of cyclizations followed by controlled termination...
Inorganic precipitate membranes play an important role in chemobrionics and origin of life research. They can involve a range of catalytic materials, affect crystal habits, and show complex permeabilities. Microfluidic flows are a...
Solid-state NMR takes advantage of studying membrane proteins in a native membrane-like lipid bilayer and has been used for generating exciting results. The magic angle spinning ssNMR of randomly oriented liposomes provides complementary...
CRISPR Cas9 is a bacterial immune system which has been found to be extremely useful for the purposes of genomic editing and DNA detection methods. While it is possible to "program" Cas9 proteins for specific target sites, any site must...
Spin-polarized unrestricted density functional theory is used to calculate the molecular properties of magnetic semiconductor quantum dots doped with 3d-metal atoms. We calculate total energies of the low spin antiferromagnetically...
The main active ingredient in herbicide formulations on the market today is glyphosate. Glyphosate is applied to the majority of crops in the food industry. However, claims regarding glyphosate's toxicity and role in human diseases, such...
This dissertation explores the integration of quantum electrodynamics (QED) with electronic structure theory to accurately model and understand complex light-matter interactions within optical cavities. Clever designs of optical cavities...
Mass spectrometry (MS) has become an important analytical method for proteomic research due to its high mass accuracy, resolution, and selectivity. Even though the traditional bottom-up MS-based method is still a widespread routine for...
The use of photochemistry in organic synthesis has enable chemists to build structural complexity into molecules that is either difficult or impossible to achieve using traditional thermal methods. Using light as a reagent is a desirable...
Non-canonical forms of DNA like the guanine quadruplex (G4) play important roles in regulating transcription and translation through interactions with their protein partners. G4s comprise a class of nucleic acid structures formed by...
Cargo trafficking using vesicles has been studied in eukaryotic cells for more than half a century. Three conventional and evolutionarily archaic pathways have since been identified. These pathways include: Coat Protein II (COPII), Coat...
The hexokinase (HK) family of enzymes catalyze the conversion of glucose to glucose 6-phosphate in a process that is utilized for energy production in most organisms. Hexokinase IV, commonly known as glucokinase (GCK), is functionally...
Egg is one of the major allergens with specific labeling requirements. α-livetin, which also called chicken serum albumin (CSA), is one of the major allergens in egg need to be detected in food matrix. A monoclonal antibody (mA) specific...
The hexokinase family of enzymes catalyzes the ATP-dependent phosphorylation of glucose to generate glucose 6-phosphate and ADP. Consistent with highly evolved catalysts, hexokinases I-III possess high apparent substrate affinities (low...
This dissertation presents structure-specific descriptions of optical properties and electronic energy relaxation dynamics of structure precise monolayer-protected gold clusters (MPCs) and narrow size distributed semiconductor...
The discovery of Cas9, a large protein that involves in all processes the type II system of Clustered Regularly Interspaced Short Palindromic Repeat, an adaptive immune system from bacteria and archaea, is a paradigm shifting molecular...
Since their production in the early 1950s, plastics have become a big part of everyday life for people around the world. Plastics are found in nearly every sector of society from homes to businesses to the medical field and various...
Prebiotic processes required a reliable source of free energy and complex chemical mixtures that likely included sugars. The formose reaction is a potential source of those sugars but is tied to alkaline conditions and elevated...
Development and Application of the Variational Two-Electron Reduced Density Matrix Complete Active Space Self-Consistent Field Method to Address the Electron Correlation Problem in Quantum Chemistry
The goal of this dissertation is to describe a series of developments and applications of the variational two-electron reduced density matrix (v2RDM-) complete active space self-consistent field (CASSCF) method to the electron...
Dicyclopenta[a, d]cyclooctene (5-8-5) ring system is a privileged scaffold found in over 30 di- and sesterterpene natural products (e.g fusicoccin and ophiobolins). These natural products have gained attention due to their interesting...
Molecular luminescent materials have been widely studied and used in different applications, including optoelectronics, sensors, and bioimaging. The photophysical properties of these materials are controlled by several factors, such as...
Over 232, 000 women will be diagnosed with breast cancer in 2014 in the United States, and approximately 40, 000 women will die from this disease. Similarly, it is estimated that 230, 000 men will be diagnosed with prostate cancer in the...
This research has resulted in the first direct solution of the equilibrium constants of higher-order charge-transfer complexes. Chapter One provides a general background of charge-transfer (CT) complexes, both the 1:1 and higher-order...
Solid-state nuclear magnetic resonance (SSNMR) is a powerful tool for the study of chemical structure and dynamics. The interactions that manifest in NMR spectra are anisotropic (i.e., orientation dependent) in origin, often resulting in...
The removal of non-coding sequences, or introns, from precursor messenger (m)RNAs and the ligation of coding sequences, or exons, a process called pre-mRNA splicing, is an essential step in gene expression. The spliceosome is the...
This dissertation explores the time-dependent equation-of-motion coupled-cluster (TD-EOM-CC)framework for the accurate calculation of the excited electronic states within molecules, with a focus on lowering the computational cost of the...
This dissertation is composed into two primary portions defined by the material types investigated. The first part is concerned with the magneto- and thermo-optical properties of trivalent lanthanide-doped metal-oxides using europium as...
La related proteins (LARPs) form a superfamily of 7 distinct, homologous RNA regulatory protein which utilize a tandem La domain and ribonucleotide recognition motif (RRM), termed the La module, to recognize their individual RNA targets....
Some of the material in is restricted to members of the community. By logging in, you may be able to gain additional access to certain collections or items. If you have questions about access or logging in, please use the form on the Contact Page.
