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Filtering by: Creator Zheng, Joshua Y. Remove constraint Creator: Zheng, Joshua Y. Academic Affiliation Chemistry Remove constraint Academic Affiliation: Chemistry

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  • Computational Rationalizations of Mechanism and Stereocontrol in Small-Molecule Lewis Base Organocatalysis

    Creator:
    McCauley-Walden, Daniel W.
    Abstract:
    My work has focused on investigating synthetic organic reactions using applied computational methods. Non-covalent interactions are critical to catalysis, mechanism, and stereoselectivity, with the most prominent interaction for isothioureas being the S···O contact between the catalyst sulfur atom and the oxygen of the acyl group. A comprehensive joint experimental and...
    Resource Type:
    Dissertation
    Full Text:
    -Walden, Author ACKNOWLEDGEMENTS Without Professors Matthew Hurst, Joshua Smith, and Robert

  • Substitution Effects on the Structure and Electronic Behavior of Ternary Precious Metal Oxides

    Creator:
    Flynn, Joshua
    Abstract:
    Due to the high cost of precursor materials, complex oxides of 4d and 5d transition metals are under-studied compared to their 3d counterparts. Recent studies have shown that oxides containing heavier transition metals can exhibit exotic electronic states due to presence of strong spin-orbit coupling. The goal of this dissertation...
    Resource Type:
    Dissertation
    Full Text:
    Joshua Flynn for the degree of Doctor of Philosophy in Chemistry presented on March 7, 2017. Title

  • Total synthesis of (-)-7-epicylindrospermopsin

    Creator:
    Hansen, Joshua D.
    Abstract:
    The first asymmetric synthesis of (-)-7-epicylindrospermopsin via intramolecular nitrone cycloaddition is described. The synthesis utilized a convergent approach to prepare the cycloaddition precursor 176, which was assembled by condensation of hydroxylamine 175 with aldehyde 145. Hydroxylamine 175 was synthesized from ethylene glycol (166) in seven steps. Aldehyde 145 was completed...
    Resource Type:
    Dissertation
    Full Text:
    OF THE DISSERTATION OF Joshua D. Hansen for the degree of Doctor of Philosophy in Chemistry

  • Insights and Patterns from Quantitative and Statistical Analyses of Chemical Systems

    Creator:
    Grove, Markas Albert
    Abstract:
    The work presented here is the culmination of efforts in describing complex chemical systems with statistical methods, thereby providing relatively simple quantitative models and easily comprehensible qualitative insights. The following investigations have various goals, such as development of new methods, fundamental understanding, molecular control of chemical species, and advancement of...
    Resource Type:
    Dissertation
    Full Text:
    Al2 is included and the OLS approach is employed to create the model, fitting to [y] values of ∆Gneu

  • Expediting the Generation and Analysis of Amorphous Oxide Computational Models: Modeling Complex Systems Swiftly

    Creator:
    Buchanan, Jacob C.
    Abstract:
    In this dissertation, the process of computational modeling of amorphous oxide materials is studied. Amorphous oxides have random atomic arrangements with no long-range structural order which makes it difficult to study structure-property relationships. Despite the difficulties, amorphous oxides have great uses as semiconductors and dielectrics in thin-film transistors. The ability...
    Resource Type:
    Dissertation
    Full Text:
    . 13. Kwon, Y. W.; Li, Y.; Heo, Y. W.; Norton, D. P. Properties of Amorphous Aluminate Dielectrics

  • Galvanostatic control of ion selective electrodes with the solvent polymeric membrane

    Creator:
    Perera, Hasini R.
    Abstract:
    Detection technique that proposed utilizing electrochemically controlled, reversible ion extraction into polymeric membrane in an alternating galvanostatic/ potentiostatic mode was introduced. This method is studied in detail to comprehend the advantages of the novel sensor (pulstrode) compared to the potentiometric ion selective electrode (ISE), studies included possible applications and limitations....
    Resource Type:
    Dissertation
    Full Text:
    .; Hawthorne, M. F.; Bachas, L. G. Anal. Chem. 1999, 71, 1371-1377. (17) Hawthorne, M. F. Y., X; Zheng, Z

  • Using Computational and Statistical Methods as an Aid to Study Environmentally Relevant Organic Molecules

    Creator:
    Dorn, Shelby E.
    Abstract:
    In this report, three studies are presented that utilize computations to predict transformations, identities, and properties of environmental organic molecules. Each study shows how computations can lead to models of chemical behavior. The importance of this research is rooted in the need for understanding how human behavior and health intersect...
    Resource Type:
    Masters Thesis

  • Computational Investigation and Prediction of Mechanisms and Stereocontrol in Complex Organic Reactions

    Creator:
    Pattawong, Ommidala
    Abstract:
    Complex organic transformations, such as the addition of pyrrole to ketene using planar chiral organocatalyst (*PPY), the four-component anhydride- Manniach reactions, and the site-selective desymmetrization of meso-1,2-diol, are remarkable synthetic reactions that provide high yield and high selectivity. However, the exact mechanism and origins of stereocontrol for theses synthetic organic...
    Resource Type:
    Dissertation
    Full Text:
    Pol Pharm. 2006, 63, 333. (b) Chen, X.; Yamamoto, C.; Okamoto, Y. Pure Appl. Chem. 2007, 79, 1561

  • Exploratory Studies Within the Exotic Lyonsite Structure

    Creator:
    Tang, Joseph N.
    Abstract:
    Structure-property relationships have always underpinned the field of solid state chemistry; dependable structural descriptions are integral to understanding and controlling the physical properties of inorganic compounds old and new. While a handful of crystal structures are celebrated for their versatility, flexibility, and functionality, the existence of more exotic structures is...
    Resource Type:
    Dissertation
    Full Text:
    getting my research wheels running. I would like to especially thank Dr. Joshua Flynn for his patience

  • Part I: Synthetic Studies toward C10-functionalized Lycopodium Alkaloids. Part II: Exploration of the Pummerer Cyclization and Its Application to the Total Syntheses of the Abietane Diterpenoids

    Creator:
    Li, Xin
    Abstract:
    This dissertation is separated into two parts according to the two major distinct research projects. In Part I, the full account of synthetic studies toward C10-functionalized lycopodium alkaloids is described. In Part II, the detailed discussion on the exploration of the Pummerer cyclization methodology and its application to the total...
    Resource Type:
    Dissertation
    Full Text:
    .; Zhao, Y.; Xu, G.; Cheng, X.; Peng, L.-Y.; Xie, M.-J.; Zheng, Y.-T.; Wang, Y.-P. Org. Lett. 2009, 11