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Full-Text Articles in Physical Sciences and Mathematics

Nmr Spectroscopic Properties Of Nucleotides, And A New Method Of Numeric Calculation Of Raman Intensities For Organic Molecules, William R. Ehrhardt Aug 2018

Nmr Spectroscopic Properties Of Nucleotides, And A New Method Of Numeric Calculation Of Raman Intensities For Organic Molecules, William R. Ehrhardt

MSU Graduate Theses

General and accurate computational methodologies are currently lacking for large chemical systems. This is primarily due to the computational expense required to perform calculations on systems with one hundred or more atoms. Calculated spectroscopic properties could aid in the process of elucidating structural features of large biologically relevant molecules if accurate and inexpensive methods are developed. Towards this end the first steps were taken to design a general methodology for predicting NMR chemical shifts of large nucleic acid systems. It was found that HF and semi-empirical methods were not sufficient for optimization of nucleobases, and therefore larger nucleotide or nucleic …


Synthesis, Characterization, And Applications Of Ammonium/Phosphonium Chitosan Derivatives For Investigative Dna Interactions, Quinton Kirk Wyatt Aug 2018

Synthesis, Characterization, And Applications Of Ammonium/Phosphonium Chitosan Derivatives For Investigative Dna Interactions, Quinton Kirk Wyatt

MSU Graduate Theses

Chitosan is examined as a non-viral vector capable of efficient gene delivery due to its favorable properties such as biodegradability, biocompatibility, and is non-toxic to mammalian cells. Cell modifications and vector permeability are enhanced in non-viral vectors that incorporate electrostatic interactions. This work synthesizes cationic (N+, P+) chitosan derivatives, to enhance electrostatic interactions towards nucleotides, using amide coupling agents EDC and HOBt. The final chitosan derivatives will bear cationic functional groups (N+, P+) with various alkyl groups (Me, Et, Pr, Ph) to examine their affinities to nucleotides and antifungal properties. mPEG grafted …


Synthesis And Characterization Of Block Copolymers For Shear Force Responsive Materials And Sugar Conjugated Fluorescent Probes, Jacob Ryan Blankenship Aug 2018

Synthesis And Characterization Of Block Copolymers For Shear Force Responsive Materials And Sugar Conjugated Fluorescent Probes, Jacob Ryan Blankenship

MSU Graduate Theses

Herein, I present my work towards two goals: shear force-responsive materials and sugarconjugated fluorescent probes for bacterial identification applications. The first work is on the development of stimuli-responsive polymers that allow for precise control over the release of encapsulated material. Stimuli-responsive polymers are becoming increasingly important in drug delivery and other applications. However there have been few reports on shear force-responsive micellar systems. I show the synthesis, and characterization by 1H and 13C NMR of four macro-chain transfer agents (macro-CTAs), one of which has not been previously reported. The resulting macro-CTAs were used in polymerization of vinyl acetate …


Computational Study Of Lawesson’S Reagent Mediated Fluorenone Dimerization Forming 9,9’-Bifluorenylidene, Andrew Jourdan Eckelmann May 2018

Computational Study Of Lawesson’S Reagent Mediated Fluorenone Dimerization Forming 9,9’-Bifluorenylidene, Andrew Jourdan Eckelmann

MSU Graduate Theses

The ambition of this work is to start a path to the a priori rational design of high yield production for electron acceptors with finely tuned band gaps, from the comfort of an armchair. To this end, organic photovoltaics offer a cheap and sustainable means of manufacture using readily available materials and avoids the toxicity of some of the heavy metals used in first and second-generation solar cells such as cadmium. The microwave assisted Lawesson’s reagent mediated one-pot one-step solventless synthesis takes less than 3 minutes and results in an 84% yield of 9,9’-bifluorenylidene from two equivalents of fluorenone. While …