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Filtering by: Creator Bond, F. Leroy Remove constraint Creator: Bond, F. Leroy Committee Member Ostroverkhova, Oksana Remove constraint Committee Member: Ostroverkhova, Oksana Degree Field Chemistry Remove constraint Degree Field: Chemistry

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  • Gene Expression, Structure Elucidation, and Bioactivity of Aspergillus Natural Products

    Creator:
    Neuhaus, George F.
    Abstract:
    The study of natural products (NPs) and their application has shaped humanity. Starting with the idea of using plants as medicine, it has now grown into the science of purifying and identifying organic molecules from nature to study their inherent biological activities. Understanding the molecular structures of NPs is the...
    Resource Type:
    Dissertation
    Full Text:
    B97X-D3/def2-TZVP(-f) (shift: 20 nm; σ = 0.3 eV; ΔESI = 0.8165

  • Total Synthesis of Isotopologues of Xanthohumol and its Congeners for Biological Studies

    Creator:
    Plagmann, Layhna S.
    Abstract:
    Xanthohumol [XN, (E)-6´-methoxy-3´-(3-methylbuten-2-yl)-2´,4´,4´´-trihydroxychalcone], the principal prenylated chalcone from hops, and its 2,3-dihydro- (DXN) and O6-desmethyl-2,3-dihydro- (DDXN) congeners, are of potential utility for the amelioration of metabolic syndrome; however, their complex bioactivity profiles cannot be properly studied and understood without access to appropriately produced synthetic materials. In the first part of...
    Resource Type:
    Masters Thesis
    Full Text:
    acetophenone enolate alkylation strategy was pursued to forge the central C2-C3 bond; however, this tactic

  • Tracking Photoinduced Primary Events with Femtosecond Stimulated Raman Spectroscopy and Calculations

    Creator:
    Wang, Yanli
    Abstract:
    Femtosecond stimulated Raman spectroscopy (FSRS) is a powerful ultrafast technique which can track photoinduced excited state structural events on femtosecond (fs) to picosecond (ps) timescales. In addition to high temporal and spectral resolutions, FSRS provides a broad spectral window from ca. 100—2000 cm-1 for detection, enabling the direct mapping of...
    Resource Type:
    Dissertation
    Full Text:
    state photoacid (PA*) and photobase (PB*) forms of HPTS during ESPT. An intermolecular H-bond

  • 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:
    larger number of atoms. A large amount of data can be generated from these model collections (i.e. bond

  • Synthesis and catalytic applications of derivatives of 7,7'-dihydroxy-8,8'-biquinolyl (azaBINOL)

    Creator:
    Wang, Chao
    Abstract:
    The synthesis of axially chiral polyfunctional derivatives of 8,8'-biquinolyl was explored and the catalytic action of appropriate derivative types investigated in three separate processes: (1) the silylcyanation of carbonyl groups and imines, (2) alkylation of a glycine Schiff-base via phase transfer-catalysis, and (3) direct amide bond formation from simple amines...
    Resource Type:
    Dissertation
    Full Text:
    via phase transfer-catalysis, and (3) direct amide bond formation from simple amines and carboxylic

  • Unique Structural Properties and Motifs of Metal-Oxides from Solids to Clusters

    Creator:
    Malmberg, Christopher E.
    Abstract:
    In this dissertation, the structural properties, thermodynamics and defect behavior of amorphous metal oxides and polyoxometalates are studied. Amorphous metal oxides have many applications, most notably as a semiconducting material used as the active matrix of thin film transistors. Alas, the amorphous nature of these materials makes studying them rather...
    Resource Type:
    Dissertation
    Full Text:
    distribution of bond lengths for M-O bonds before adding an oxygen vacancy for deep and shallow states: In (a

  • Cis-2,5-diaminobicyclo[2.2.2]octane : a novel C₂-symmetric scaffold for asymmetric catalysis

    Creator:
    Shaw, Subrata
    Abstract:
    This thesis describes the development of a new enantioselective synthetic method employing chiral cis-2,5-diaminobicyclo[2.2.2]octane-based organometallic catalysts. The significance of this new method to organic synthesis is illustrated with preparation of enantioenriched products that are transformed to important pharmaceutical agents. Chapter 1 provides a brief historical overview of asymmetric catalysis, especially...
    Resource Type:
    Dissertation
    Full Text:
    metal complexes (+)-75-77 36 2.3 Correlation between v(C=N) and C=N bond distance of salen ligand

  • Hydrogen/deuterium exchange mass spectrometry as a technology platform for studying conformational dynamics in large protein complexes

    Creator:
    Nirudodhi, Sasidhar N.
    Abstract:
    Proteins are essential to all biological systems. Proteins participate in numerous cellular processes by interacting with other proteins, other metabolites and membranes in a dynamic environment. Studying the structural and conformational properties of proteins in the solution phase is necessary to understand their protein folding and interaction dynamics. This research...
    Resource Type:
    Dissertation
    Full Text:
    ............................................................................................. 71 3.4.3 Effect of disulfide bond reduction on the conformational mobility of the active site loop

  • Theoretical study of beryllium borohydride Be(BH₄)₂

    Creator:
    Alghamdi, Maha D.
    Abstract:
    Ab initio calculations using the B3LYP and CCSD(T) methods were employed in this work to explore the most stable structure of the intriguing compound Be(BH₄)₂, for which as many as seven different structures have been proposed in the literature. Use of the B3LYP density functional method with several large basis...
    Resource Type:
    Masters Thesis
    Full Text:
    changed bond lengths and angles of a triangular structure might be worthwhile. In 1973, Marynik and

  • Analysis of the mechanism of sulfoxide-lithium exchange and the reactive intermediate in stereospecific reagent-controlled homologation (StReCH)

    Creator:
    Hoyt, Amanda
    Abstract:
    The stereospecific reagent-controlled homologation (StReCH) of boronic esters with enantioenriched carbenoid species generated in situ by the addition of organolithium initiators to stereodefined α-chloroalkyl aryl sulfoxides was previously reported. The reaction of an organolithium with an α-chloroalkyl aryl sulfoxide ostensibly generates an α-chloroalkyllithium via sulfoxide-lithium exchange; however, the true nature...
    Resource Type:
    Masters Thesis
    Full Text:
    concept for programmable carbon-carbon bond formation via iterative insertion of stereodefined