The focus of this thesis is the design of non-natural molecules for use in biological applications. Chapter one details a strategy to use small molecules to reactivate mutated p53, an oncoprotein that is prevalent in several types of cancer, back to its wild-type function. Wild-type p53 has the ability to...
The overarching goal of this work is to understand nanometer scale junctions and electron transport through molecules in these junctions. Calculations detailing quantum interference in the electron transport through molecules, and the control of these features, show great potential for use as discrete electronic elements. Concurrent work on the fabrication...
The new binuclear organo-zirconium and -titanium metal complexes {2,7-di-[(2,6diisopropylphenyl)imino]-1,8-naphthalenediolato group 4 metal complexes {1,8-(O)2C10H4-2,7[CH=N(2,6-iPr2C6H3)]2}Zr2Cl6(THF)2 (FI2-Zr2) and {1,8-(O)2C10H4-2,7-[CH=N(2,6-
i 2 t
Pr2C6H3)]2}Ti2Cl6(THF)2 (FI -Ti2) are compared to the mononuclear analogues {3- Bu-2(O)C6H3CH=N(2,6-iPr2C6H3)}ZrCl3(THF) (FI-Zr1) and {3-tBu-2-(O)C6H3CH=N(2,6-
i
Pr2C6H3)}TiCl3(THF) (FI-Ti1), respectively, in ethylene polymerization and ethylene + olefin copolymerization processes. The comonomers studied...
The promise of a clean, renewable, and abundant energy supply make the efficient conversion of solar energy to electricity a compelling scientific and societal goal. In the following chapters, I will describe my efforts to advance one class of photovoltaic technology, dye-sensitized solar cells, by demonstration and characterization of unexplored...
Okilactomycin and chrolactomycin are antitumor antibiotics isolated in 1987 and 2001, respectively. These tetracyclic natural products possess a unique 6-5 fused tetrahydropyrone-butyrolactone. The spirocenter is part of a highly functionalized cyclohexene ring, which together with the aforementioned 6-5 system compose the core of these molecules. A six carbon, 1,3-dialkyl-substituted carbon...
Metal oxide surfaces are generally recognized as active substrates for many catalytic reactions. Density Functional Theory (DFT) has been found as a useful computational tool to investigate the geometry, energy, electronic structure of reactive oxide surfaces and their interaction with small molecules and fragments. In this thesis, primary efforts have...
Nanoplasmonics is an emerging branch of photonics that studies the optical properties of noble metals. Nanostructured noble metal materials, which can strongly interact with light and support various plasmon modes, are exceptional candidates for nanophotonic devices. This work describes the latest advances in the fabrication of ordered silver nanoparticles or...
Four series of doped CdO thin films have been grown on both amorphous glass and single-crystal MgO(100) substrates by metal-organic chemical vapor deposition (MOCVD), and their phase structure, microstructure, electrical, and optical properties investigated. Epitaxial films grown on single-crystal MgO(100) exhibit biaxial, highly textured microstructures. These as-deposited doped CdO thin...
Human skin oils are significant scavengers of atmospheric oxidants in occupied indoor environments. Many techniques used to study gas-phase transformations of surface films indoors have been limited to off-line bulk analysis, although more surface-selective methodologies are emerging. Here, we present a multi-prong analytical approach to characterizing skin oil ozonolysis. Skin...
Metal-organic frameworks (MOFs) are porous, crystalline materials synthesized by combining metal nodes and organic linkers through self-assembly. The diverse range of building blocks available allows for extensive tunability of MOFs, enabling the optimization of these materials for various applications, such as gas storage, separations, and catalysis. This study aimed to...