Chemistry: Dissertations
2007 - 2006 - 2005 - 2004 - 2003 - 2002 - 2001 - 2000 - 1999 - 1998 - 1997 - 1996 - 1995 - 1993
2007 DISSERTATIONS
Greeley, Burnham H. (2007) Improvements to the pseudospectral electronic structure method and experimental protein model initiation
Redmond, Peter (2007) Noble metal nanoparticles : optical forces, electrochemical Ostwald ripening, and photovoltage
2006 DISSERTATIONS
Ben-Porat, Chaya Henya (2006) Electrostatic force microscopy study of the charge and polarizability of semiconducting and metallic nanocrystals
Cummings Sarah (2006) Electrophilic attack on Zr-C bonds and rate and mechanism of zirconaaziridine enantiomer interconversion
Dukovic, Gordana (2006) Electronic spectra of carbon nanotubes : excitonic states, chemical doping, and chiral interactions
Godula, Kamil (2006) Development of C-H bond functionalization based solution to diverse synthetic problems
Hackman, Blaine Motove (2006) Strained silacycles : new reagents for asymmetric allylation and crotylation of aldehydes and ketones/
Horoszewski, Dana (2006) Synthesis and structural properties of hydrogen-bonded triphenylenes and bent acenes
Huang, Xuhui (2006) Theoretical and computational studies of hydrophobic effects at large length scales
Pastine , Stefan James (2006) Design and exploration of different approaches to a common goal : catalytic C-H functionalization
Petros, Amy Kathryn (2006) Modeling thiolate-rich metalloprotiens using the Ferredoxin Maquettes : analysis of Co(II) and [4Fe4s]²⁺ʹ⁺ binding to IGA
Petros, Robby Allen (2006) The role of organoZr/organoA1 dimmers in olefin polymerization and enantioselective carboalumination
Rabbat, Philippe (2006) Asymmetric allylation of imines with strained silacycle reagents and ; Toward the rapid synthesis of the C1-C9 fragment of the epothilones by tandem silylformylation-crotylsilylation
Tam, Iris Wing Yu (2006) Efforts towards the synthesis of a symmetrical cyclopropenyl anion ; Synthesis and characterization of oligothiophenes as candidates for single molecule conductance studies
Tulevski, George (2006) Integration of molecular self-assembly with nanoscale organic electronics and the development of new metal-molecule couping chemistry
Yee, Dominic Jason (2006) New fluorogenic reporters for imaging the activities of redox enzymes in living cells
Zhou, Wen-jun (2006) Asymmetric transamination with chiral polyamines and polymeric vitamin B6 enyzme mimics
2005 DISSERTATIONS
Breen, Nicholas (2005) Studies of photochemically induced dynamic nuclear polarization in photosynthetic bacterial reaction centers : wavelength and time dependence
Bushey, Mark (2005) Hydrogen bonding discotic liquid crystals : synthesis, self-assembly, and molecular recognition
Fang, Zhenglai (2005) Regioselective hydroxylation of steroids with artifical cytochrome P-450 enzymes
Huang, Danmei (2005) Structural studies on the regulation of cytokine signaling : Pim-1 protein kinase and SOCS proteins
Huang, Lei (2005) Solid state NMR spectral properties and partial sequential assignment of a membrane protein, the light harvesting complex 1(LH1)
Jovanovic, Tijana (2005) Substrate binding to cytochrome P450 BM-3 : temperature and redox dependence
Miao, Qian (2005) Creating new building blocks for organic electronics : synthesis, assembly and devices
Nguyen, Kim (2005) Second harmonic generation studies of molecular motions at membrane mimetic interfaces
Reedy, Charles (2005) Heme-binding thermodynamics of designed proteins : implications on the nature of cytochromes
Sezen, Bengü (2005) Development of selective and catalytic arylation methods for sp² and sp³ C-H bonds in complex organic molecules
Tang, Lihao (2005) Scope and mechanism of chain transfer catalysis with metalloradicals and metal hydrides
Varga, Krisztina (2005) Membrane protein secondary structure and special assignments by solid state NMR : S. Lividans KcsA potassium channel and E. coli ATP synthase subunit c
Wang, Xiaolun (2005) Strained silacycles in organic synthesis : the tandem aldol-allylation/aldol-aldol reaction and their asymmetric variations
Wang, Zhigang (2005) Syntheses and applications of some helicene derivatives ; Conservation of helical asymmetry : an electronic theory for molecular chirality and chiral interactions
Yan, Ping (2005) Fluorescent molecular switches, sensors, and nanostructures based on perylene diimide
Zhu, Guang (2005) Transformations relevant to hydrodenitrogenation as modeled by reactions of trimethylphosphine molybdenum compounds
Zhuang, Jinyou (2005) Investigation of the effects of non-natural amino acids and hemes in de novo heme protein design
2004 DISSERTATIONS
Althoff, Eric (2004) Engineering ligand-receptor interactions using a bacterical three-hybrid system
Bai, Xiaopeng (2004) Design and synthesis of photocleavable nucleotide analogues for DNA sequencing and analysis
Berger, Richard (2004) The enantioselective allylation of aldehyde and ketone derived acylhydrazones using strained silacycles : a study of reactivity and mechanism
Carter, Brian (2004) Characterization and applications of the dexamethasone-methotrexate yeast three-hybrid system
Chen, Gong (2004) Development of epoxide probes for protein labeling & development of fluorescent reporter substrate probes for oxidoreductases
Gross, Benjamin (2004) Three dimensional structure determination for single crystal and uniaxially aligned amino acids by magic angle spinning solid-state NMR
Hamblett, Christopher (2004) A total synthesis of leucascandrolide A ; Efforts toward a synthesis of phomactin A ; The first silicon-based Lewis acid catalyst that achieves high enantioselectivity
Harder, Edward (2004) Development and application of methods for analysis and efficient simulation of biomolecular systems/
Krane, Sonja (2004) Physiologically active natural products ; Ligand structure-activity relationships in G protein-coupled receptor signaling
O'Malley, Steven (2004) Tandem alkyne silylformylation-allylsilylation reactions and studies toward a total synthesis of Dolabelide B/
Sengupta, Debleena (2004) Development of a general method for assaying protein activity in vivo ; Efforts toward the conversion of a penicillin-binding protein into a beta-lactamase by rational design and directed evolution
Zhou, Zhiyong (2004) Electronic structure of silicon nanostructures and carbon nanotubes : a density functional theory (DFT) study
2003 DISSERTATIONS
DiBlasi, Christine (2003) Studies toward a total synthesis of phomactin A : a tandem ring-closing metathesis approach/
Gherman, Benjamin (2003) Using quantum mechanics (QM) and mixed quantum mechanics/molecular mechanics (QM/MM) methods to study reaction mechanisms in enzymes
Goldberg, Shalom (2003) Combinatorial scanning mutagenesis of a class C beta-lactamase ; Studies toward the directed evolution of a penicillin-binding protein into a beta-lactamase
Igumenova, Tatyana (2003) Assignment of uniformly 13C-enriched protein and optimization of their carbon lineshapes
Krauss, Isaac (2003) Highly regioselective diastereoselective directed hydroformylation of allyl ethers ; Highly practical and enantioselective ligands for Cu-catalyzed conjugate addition
Lin, Hening (2003) Development and application of chemical complementation : a high-throughput assay for enzyme evolution and proteomics
Liu, Zhiqiang (2003) Characterization of zeolite external surface area using electron paramagnetic resonance ; End labeling efficiency in the atom transfer radical polymerization of styrene
Maliakal, Ashok (2003) Measuring chain length dependent rate constants in activation and diffusion controlled polymer end-end reactions ; Effects of electron exchange rates and structure on relaxivity in polynitroxides
Moreira, Rayane (2003) Studies towards catalytic site-selective C-H activation ; A combinatorial approach to atom transfer catalyst discovery
Siu, Tony (2003) The total synthesis of heliquinomycin aglycone ; The total synthesis of lactonamycin aglycone
Werblowsky, Tova (2003) Self-assembly at the theoretical-experimental interface : computer simulations of organic systems on graphite/
Wilson, David (2003) Helical templating of oligopeptides by cyclodextrin-based receptors ; Cracking the histone code : oligopeptides as selective agents in histone deacetylase inhibition
Zacuto, Michael (2003) Tandem silylformylation-allylsilylation reactions for the synthesis of polyketides
2002 DISSERTATIONS
Atkins, Joshua (2002) Cyclodextrin-based receptors for peptide recognition ; Molecular determinants of flecainide action on the human cardiac sodium channel
Bernacki, Katarzyna (2002) Multiple-scale methods in Monte Carlo and Langevin dynamics simulations for sampling the conformational space of condensed-phase systems
Churchill, David (2002) The Ansa effect in permethylmolybdenocene and permethyltungstenocene chemistry
Hornberger, Keith (2002) The total synthesis of leucascandrolide A ; Studies directed toward the total synthesis of ingenol
Leivers, Martin (2002) Mimics of bimetallic phospatases ; Retro-Diels-Alder approach to a symmetrical cyclopropenyl anion
Papish, Elizabeth (2002) Kinetics and thermodynamics of proton and hydrogen atom transfer from transistion metal hydrides : mechanistic implications and catalytic applications
Yablon, Dalia (2002) Some self-assembly required : scanning tunneling microscopy (STM) investigations of chiral systems at the liquid-solid interface
2001 DISSERTATIONS
Belvedere, Sandro (2001) Histone deacetylase inhibitors : new agents for cancer chemotherapy ; Strategies towards an artificial cytochrome P450
Bergquist, Catherine (2001) Zinc aqua and alkoxide complexes : models of zinc enzymes ; Estimation of the Br0nsted acidity of aquatris(perfluorophenyl)borane
Crystal, Joseph (2001) Ab initio quantum chemical calculations of the kenetics and energetics of electron transfer reactions
Groves, Kevin (2001) Approaches to the synthesis of a symmetrical cyclopropenyl anion ; hydrophobic effects on organic displacement reactions in water
Krilov, Goran (2001) Equilibrium dynamics in dissipative quantum systems through numerial analytic continuation
Leung, David (2001) Cyclodextrin dimers and trimers in peptide binding, protein inhibition, and photodynamic cancer therapy ; Studies toward synthesis of a stable symmetrical cyclopropenyl anion
Magee, Matthew (2001) Stoichiometric, catalytic and enantioface-selective hydrogenation of carbon-nitrogen double bonds by an ionic mechanism
Phillips Karen (2001) Synthesis and properties of an aggregating heterocyclic helicene and its derivatives-comparison to related structures
Seiser, Natalie (2001) Angular momentum constraints in the quenching of molecules with chemically significant amounts of energy : size matters!
Yang, Jerry (2001) Regioselective oxidations of steroids and steroid analogs using artificial cytochrome P-450 enzymes
Zhou, Bishan (2001) Studies towards the total syntheses of biologically active natural products : eleutherobin ; Ecteinascidin 743
2000 DISSERTATIONS
Abramo, Graham (2000) Kinetics, mechanism, and applications of hydrogen atom transfer from transition-metal hydrides
Dunietz, Barry (2000) Application and development of multi-configurational localized perturbation theory and the study of methane monooxygenase enzymatic reaction cylce
Eyrich, Volker (2000) Protein tertiary structure prediction via global optimization of reduced model potential energy functions
Gershell, Leland (2000) Sequence-selective recognition of peptides ; Novel cytodifferentiating agents for cancer therapy
Han, Ming (2000) In situ investigation of surface chemistry for chemically driven atomic layer epitaxy of II-VI Semiconductor thin films
Lee, Hyerim (2000) Structure and confrontational dynamics in paramagnetic substances : analysis of hyperfine and quadrupolar interactions in solid-state NMR
Picconatto, Carl (2000) The dynamics of the photodissociation of HCI dimer and state-to-state reactions of hydrogen atoms with linear alkanes
Rozovsky, Sharon (2000) Triosephospate isomerase : timescale of catalytic loop motion in relation to the reaction rate limiting step
Srivastava, Abneesh (2000) State-to state dynamics of the reaction of atomic hydrogen with cyclic alkanes
Yu, Zhonghua (2000) Optical properties of individual bundles of single-wall carbon nanotubes : Fano Raman line shape and reversible doping effect
1999 DISSERTATIONS
Chen, Xiao-Tao (1999) Total syntheses of biologically active natural products : complex oligasaccharides, eleutherobin, tricycloillicinone
Dreher, Spencer (1999) Applications of the Russig-Laatsch reaction of helicenes and the synthesis of nonracemic heterohelicenes
Edinger, Shlomit (1999) The computation of solvation energy and gradients using a Poisson-Boltzmann continuum solver : applications to protein geometry optimization and binding
Frontier, Alison (1999) I. Total synthesis of hispidospermidin ; II. An [alpha],[alpha prime]-annulation of enamines ; III. Studies toward the synthesis of frondosin B
Guo, Jinsong (1999) Structural studies on bioactive natural products : cardaic glycosides and polyene macrolides
Hascall, Antony (1999) (I) Oxidative addition reactions of trimethylphosphine complexes of molybdenum and tungsten ; (II) Metal complexes of bulky calixarene ligands
Hetényi, Balázs (1999) Orientational phase transitions in the quantum anisotropic planar rotor model
Huang, Xuefei (1999) I. Porphyrins in structural studies by circular dichroic spectroscopy ; II. Spectroscopy studies of neurologically active philanthotoxins
Kawamura, Akira (1999) I. Microscale stereochemical analyses of sphingolipids and brassinostroids ; II. On the structure and physiology of endogenous ouabain
Lee, Hyosun (1999) Synthesis, structure and reactivity of [Me2Si] bridged permethylzirconocene and permethyltitanocene complexes
Li, Wei (1999) Multinuclear solid state NMR and EPR studies of dibenzyl ketones and benzocyclobutene adsorbed on MFI zeolites
Mayer, Miriam (1999) I. Pyridoxal-Apoenzyme minics designed for transimination and selective racemization ; II. effects of organic cosolvents on nucleophilic aliphatic substitution (SN̳2) reactions in water
Meng, Dongfang (1999) The first total syntheses of epothilones A, B. C and D ; the first total syntheses of 12-epi-CP-263,114 and 12-epi-CP-225,917
Thongpanchang, Tienthong (1999) Mechanism of helicene resolution ; Studies on water soluble helicenes
Yang, Zhiwei (1999) Cyclodextrins as artificial receptors for steroids, peptides, and photosensitizers
1998 DISSERTATIONS
Astrof, Nathan (1998) Dynamics of ribonuclease H from Thermus thermophilus studies by NMR chemical shifts and spin relaxation
Beachy, Michael (1998) Parallelization and applications of pseudospectral electronic structure theory
Dong, Steven (1998) Imidazole buffer catalyzed RNA cleavage and isomerization ; Bifunctionalized cyclodextrin enzyme mimics
Fang, Hongbin (1998) Scanning tunneling microscopy (STM) studies of the structure, dynamics and reactions of long chain hydrocarbon molecules at the liquid-solid interface
Fox, Joseph (1998) Synthesis of conjugated helical polymers, cyclophanes, mental complexes and phthalocyanines
Ghosh, Prasenjit (1998) Structural analogs of zinc enzymes and related studies of poly(pyrazolyl)hydroborato complexes
Gurevich, Alejandra (1998) Mechanistic studies of surface reactions : reaction of halogenated hydrocarbons on metal surfaces and growth of thin oxide films
Kisko, Jennifer Lee (1998) Multiple bonding of titanium and vanadium to the heavier chalcogens and synthesis of four-coordinate phenyltris(3-t-butylpyrazolyl)borato iron methyl and carbonyl species
Lou, Jihong (1998) Structure and functional of retinal proteins studied by artificial pigments incorporating synthetic retinoids
Melander, Christian (1998) Catalysis by ribonucleosides, synthesis of 5-(†-D-ribofuranosyl)-pyridin-2-one, and the hydratable nature of amino aldehydes
Olofson, Anne Squire (1998) Synthesis of Agelas alkaloids : oroidin, the dispacamides and mauritiamine
Philipp, Dean (1998) Mixed ab initio quantum mechanics/molecular mechanics methods using frozen orbitals with applications to peptides and proteins
Rapp, Chaya (1998) Prediction of protein loop geometries using a generalized born model of solvation effects
Standley, Daron (1998) Protein tertiary structure prediction by constrained and unconstrained energy minimization
1997 DISSERTATIONS
Depew, Kristopher Medchill (1997) The total synthesis of the ardeemins, tryprostatin B and calichearubicins A and B
Dong, Jian-Guo (1997) Structural studies by the exciton chirality method : circular dichroism and fluorescence detected circular dichroism (FDCD)
Eng, Joseph (1997) The study of surface reactions using vibrational spectroscopy : hydrocarbons on carbide-modified Mo(110) surfaces and oxidation precursors on Si(100) surfaces
Evenzahav, Ariella (1997) Viewing biologically significant systems through photochemical looking glass : I] novel photorearrangement of enediynes ; II] Photophysical investigation of a compound associated with macular degeneration
Huang, Ying (1997) Study of selective aldol condensations directed by artificial enzymes ; study of hydroxylations catalyzed by cytochrome P-450 enzyme mimics
Kuchta, Matthew Cornyn (1997) Multiple bonding to the heavy p-block elements : syntheses, structure and reactivity of terminal chalcogenido complexes of gallium, indium, germanium and tin
Michaels, Chris A. (1997) The collisional relaxation of highly vibrationally exited molecules : glimpses of the energy transfer mechanism and distribution function
Polenova, Tatyana (1997) Conformational analysis of pharmaceutical suramin free and in the presence of its target receptors by solution NMR : What we learned from and about transferred Noesy
Rickman, Barry Harrison (1997) Structural studies by excition-coupled CD : novel methods and approaches utilizing powerful porphyrin chromophores
Sun, Dong-Hong (1997) Surface chemistry study of the direct synthesis of methylchlorosilanes : reaction of methyl + chlorine monolayers on copper silicide surfaces
Teplyakov, Andrew Vladimirovich (1997) Bonding and reactions of hydrocarbons and their fragments on single crystal surfaces of cooper and copper-platinum alloy : identification of surface intermediates and reaction mechanisms
Zhang, Yu (1997) Ab initio quantum chemical study electron transfer processes in the photosynthetic reaction center and scanning tunneling microscopy
1996 DISSERTATIONS
Chihade, Joseph Walter (1996) Determinants for [subscript t] RNA modification by E. coli pseudoridine synthase I.
Felts, Anthony Keith (1996) Reduced-model applications in quantum and classical biomacromolecular systems
Gallicchio, Emilio (1996) Quantum dynamics in condensed phases by maximum entropy analytic continuation of euclidean time path integrals
Mainz, Daniel Timothy (1996) Electronic structure methods on large systems : algorithmic improvements and application in an automated parameterization of polarizable force fields
Shin, Jun Ho (1996) Syntheses, structures and reactivity of permethyltantalocene and tert-butylmolybdenocene derivatives
Wennemers, Helma (1996) Encoded combinatorial chemistry : a tool for the study of selective intermolecular interactions
Xu, Ruo (1996) Study of the mechanism of RNA cleavage ; Design, synthesis and catalytic studies of the enzyme P-450 mimics
1995 DISSERTATIONS
1993 DISSERTATIONS
Cheng, Liao-Ping (1993) Mechanism of microporous membrane formation by precipitation of semicrystalline polymers
Halfon, Sherin (1993) I. Binding and catalysis by -cyclodextrin dimers. II. Effects of anti-hydrophobic agents on binding of -cyclodestrin dimers
