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Quantum dynamics in condensed phases : charge carrier mobility, decoherence, and excitation energy transfer
(Massachusetts Institute of Technology, 2006)
In this thesis, we develop analytical models for quantum systems and perform theoretical investigations on several dynamical processes in condensed phases. First, we study charge-carrier mobilities in organic molecular ...
Channeling in purine biosynthesis : efforts to detect interactions between PurF and PurD and characterization of the FGAR-AT complex
(Massachusetts Institute of Technology, 2006)
Purine biosynthesis has been used as a paradigm for the study of metabolism of unstable molecules. Both phosphoribosylamine (PRA) and N5-carboxyaminoimidazole ribonucleotide (N5-CAIR) have estimated half-lives in vivo of ...
Investigating asparagine-linked protein glycosylation in eukaryotic and prokaryotic systems
(Massachusetts Institute of Technology, 2006)
N-linked protein glycosylation is characterized by the formation of a -glycosylamine linkage to an asparagine residue within the Asn-Xaa-Ser/Thr consensus sequence. This modification is found in organisms from eukaryotic, ...
The physics and chemistry of semiconductor nanocrystals in sol-gel derived optical microcavities
(Massachusetts Institute of Technology, 2006)
The incorporation of semiconductor nanocrystals (NCs) into sol-gel derived matrices presents both novel applications as well as a robust platform in which to investigate the nonlinear optical properties of NCs. This thesis ...
Computational ligand design and analysis in protein complexes using inverse methods, combinatorial search, and accurate solvation modeling
(Massachusetts Institute of Technology, 2006)
This thesis presents the development and application of several computational techniques to aid in the design and analysis of small molecules and peptides that bind to protein targets. First, an inverse small-molecule ...
Molecules and materials for the optical detection of explosives and toxic chemicals
(Massachusetts Institute of Technology, 2006)
Optical chemosensing, especially using amplifying fluorescent polymers, can allow for the highly sensitive and selective vapor-phase detection of both explosives and highly toxic chemicals, including chemical warfare agents. ...
Synthetic and catalytic studies of Group 11 N-heterocyclic carbene complexes
(Massachusetts Institute of Technology, 2006)
This thesis presents the synthesis, structure and reactivity of two-coordinate Group 11 metal complexes, supported by N-heterocyclic carbene (NHC) ligands. The NHC ligand was found to stabilize monomeric, terminal fluoride ...
Structural analysis of hydroxypropylphosphonic acid epoxidase : a fosfomycin biosynthetic enzyme
(Massachusetts Institute of Technology, 2006)
An X-ray crystallographic study of the fosfomycin biosynthetic enzyme hydroxypropylphosphonic acid epoxidase (HppE) from Streptomyces wedmorensis is presented. Structural analysis of this cupin mononuclear iron enzyme in ...
Development of transition state analogues targeting chitinases and oligosaccharyl transferase
(Massachusetts Institute of Technology, 2006)
Oligosaccharyl transferase (OT) plays a central role in the biosynthesis of asparagine-linked glycoproteins in eukaryotic systems. The glycosylation step catalyzed by OT involves the co-translational transfer of a ...
Metal-ligand redox interaction in the multielectron chemistry of porphyrinogen coordination compounds
(Massachusetts Institute of Technology, 2006)
Metal complexes of the macrocycle porphyrinogen (calix[4]pyrrole) are studied with an emphasis on the redox activity ("non-innocence") of the ligand (Chapter I). Porphyrinogen complexes of spherical, redox-inert metal ...