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Articles 1 - 4 of 4
Full-Text Articles in Chemistry
Investigations On The Helix-Coil Transition Inside Nanotubes, Dylan Suvlu
Investigations On The Helix-Coil Transition Inside Nanotubes, Dylan Suvlu
Electronic Theses and Dissertations
Proteins are the workhorses of biology and are essential to life as we know it. A protein’s function in the cell is intimately related to its three-dimensional structure. Thus, understanding structure formation in proteins has been an essential goal in molecular biology. Experiments indicate proteins start acquiring structure inside the ribosome—the cellular manufacturing plant of proteins—and the process is particularly important for membrane proteins. Therefore, the ribosome appears to play an active role in facilitating protein structure acquisition. However, how and when the ribosome accomplishes this task remains poorly understood. To better understand this process, we conducted molecular dynamics computer …
Computational Quantum Study Of Intermediates Formed During The Partial Oxidation Of Melatonin, Oladun Oladiran
Computational Quantum Study Of Intermediates Formed During The Partial Oxidation Of Melatonin, Oladun Oladiran
Electronic Theses and Dissertations
Melatonin is a neurohormone produced by the pineal gland in the brain. It functions as an antioxidant to scavenge free radicals. Free radicals are reactive species; they often oxidize the cells leading to oxidative stress which may lead to severe health complications. Reaction of melatonin with free radicals is known to be stepwise, as such the stability of the intermediates can be examined. Thus, the possibility of using melatonin as an in vivo spin trap can be determined. Spin traps allow characterization of unstable radical species using electron spin resonance spectroscopy. In this research, ab initio quantum chemistry techniques were …
Computational Modeling Of Photolysis And Catalysis Reactions In Vitamin B12-Dependent Enzymes., Abdullah Al Mamun
Computational Modeling Of Photolysis And Catalysis Reactions In Vitamin B12-Dependent Enzymes., Abdullah Al Mamun
Electronic Theses and Dissertations
Vitamin B12 is a complex organometallic molecule, the derivatives of which such as adenosylcobalamin (AdoCbl) and methylcobalamin (CH3Cbl) act as a cofactor in numerous enzymatic reactions. These two biologically active cofactors contain a unique organometallic Co-C σ bond. Important feature of this Co-C bond is that it can be activated by both thermally and photolytically inside the enzymatic environment as well as in the solution. In the case of enzymatic reactions where AdoCbl molecule act as a cofactor, the cleavage of the Co-C bond constitutes the key catalytic step. The most intriguing features of this cleavage is …
Instrument And Application Development In Saturation Recovery And Rapid Scan Electron Paramagnetic Resonance, Joseph E. Mcpeak
Instrument And Application Development In Saturation Recovery And Rapid Scan Electron Paramagnetic Resonance, Joseph E. Mcpeak
Electronic Theses and Dissertations
Enhanced signal sensitivity by the use of Rapid Scan (RS) electron paramagnetic resonance (EPR), a technique that allows for much faster magnetic field scans than traditional field-swept techniques, has facilitated improved data acquisition for many types of samples. For example, irradiated fingernails for radiation dosimetry have been studied using RS-EPR, which resulted in substantial decreases in detection limits. Samarium-mediated reduction mechanisms in organic synthesis have been investigated by RS-EPR providing evidence for a radical intermediate. Spectra of organic radicals exhibiting both narrow lines and closely spaced hyperfine interactions have been recorded via RS-EPR. Well-resolved spectra can be recorded at a …