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Full-Text Articles in Physical Sciences and Mathematics

Solvation Energy Of Biomolecular Structures: A Study Of The Effect Of Salt On Biomolecules Through Implicit As Well As Explicit Solvation Methods, Mihir Date Dec 2012

Solvation Energy Of Biomolecular Structures: A Study Of The Effect Of Salt On Biomolecules Through Implicit As Well As Explicit Solvation Methods, Mihir Date

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In the current dissertation, studies related to solvation energy of protein structures using implicit as well explicit solvation methods have been discussed. Special focus is given to explore effect of salt on the fold stability of proteins and enzymes. Salt plays a crucial role in the functioning of all proteins, enzymes and nucleic acids. Change in salt concentration of the medium has large impact on stability and activity of these biological macromolecules. Therefore exploring mechanism of salt effect on them and development of an efficient model to calculate the salt effect has fundamental as well as practical importance in the …


Sample Preparation Techniques For The Improvement Of Analytical Measurements: Capillary-Channeled Polymer Fibers Employed In Protein Solid Phase Extraction Applications And Characterization Of Active Components In Botanical Dietary Supplements, Carolyn Burdette Dec 2012

Sample Preparation Techniques For The Improvement Of Analytical Measurements: Capillary-Channeled Polymer Fibers Employed In Protein Solid Phase Extraction Applications And Characterization Of Active Components In Botanical Dietary Supplements, Carolyn Burdette

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The task of sample preparation encompasses many challenges and demands for analytical techniques. Appropriate preparative steps can be the determining factor between successful measurements and failures. Too little preparation can lead to the inability to detect analytes due to low concentrations, insufficient extraction of analytes, and/or strong matrix effects; exhaustive preparation steps increases analysis times, the potential for analyte losses, and the difficulty to obtain consistent reproducible results. Discussed here are several examples of analytical techniques where sample preparation is critical and can be used to improve existing techniques. Capillary-channeled polymer (C-CP) fibers used for solid phase extraction (SPE) protein …


Synthesis And Characterization Of Magnetic Solids Featuring 3d-4f Heterometallic Oxides Comprised Of Spin Chains And 3d-6p Noncentrosymmetric Oxides Templated By Acentric Salt Units, Jennings West Aug 2012

Synthesis And Characterization Of Magnetic Solids Featuring 3d-4f Heterometallic Oxides Comprised Of Spin Chains And 3d-6p Noncentrosymmetric Oxides Templated By Acentric Salt Units, Jennings West

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The studies and syntheses presented in this dissertation were primarily aimed at exploring new magnetic solids comprised of special framework oxides with novel magnetic properties. Low-dimensional magnetic behavior has been of great interest, especially pertaining to molecular solids having single magnetic domains where slow relaxation and quantum properties of magnetization are evident. In attempts to mimic molecular magnets and achieve reduced dimensionality of, in this case 3d-;4f magnetic sublattices, diamagnetic oxyanions, XOmn-, and A-site cations (A = alkali and alkaline-earth metals) were used as nonmagnetic spacers in hopes of disrupting or confining magnetic interactions in certain dimensions. The …


Environmental Implications And Applications Of Nanomaterials, Priyanka Bhattacharya Aug 2012

Environmental Implications And Applications Of Nanomaterials, Priyanka Bhattacharya

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Recent advances in material science and nanotechnology have given rise to a myriad of developments, while in the meantime call for research into the impacts of nanomaterials on the environment and human health. Although considerable progress has been made in the past decade concerning the behavior of nanomaterials in biological systems, such understanding is critically lacking with respect to the fate of nanomaterials in ecosystems.
Accordingly, this dissertation addresses the interactions between nanomaterials and algae--the major constituent of the aquatic food chain (Part I, Chapter two), and exploits the physicochemistry of nanoscaled synthetic dendritic polymers for environmental applications, especially for …


Surface Modifications Of Capillary-Channeled Polymer (C-Cp) Fibers For Applications In Highly Selective Separations, Jennifer Pittman May 2012

Surface Modifications Of Capillary-Channeled Polymer (C-Cp) Fibers For Applications In Highly Selective Separations, Jennifer Pittman

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High Performance Liquid Chromatography (HPLC) is a key component in the purification and separation of biological samples. Stationary phases in HPLC are generally silica based porous particles or monoliths designed with high surface area and high capacities in mind. However, in the field of macromolecule separations, specifically proteins, the porous based stationary phases have inherent issues that include slow mass transfer, high operating back pressures, and analyte carryover. Recent research has looked to non-porous polymeric materials as stationary phases in HPLC to overcome these challenges. Specifically, fibrous based polymer stationary phases exhibit significant benefits for macromolecules that include improved mass …


Cuprate Mediated Allylic Substitutions On Vinylepoxides And Conjugate Additions On 2-Pyridones, Yaxin Huang May 2012

Cuprate Mediated Allylic Substitutions On Vinylepoxides And Conjugate Additions On 2-Pyridones, Yaxin Huang

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Regioselective control in allylic substitution reactions of vinylepoxides is difficult due to the competition between SN2- substitution and SN2'- allylic substitution pathway. Although excellent SN2'/SN2- and anti/syn- ratios were achieved by CuCN derived organozinc cuprates on 4,5-epoxy-2,3-enoates, application of this methodology to the vinylepoxide, trans-1-(tert-butyldimethylsilyloxy)-2,3-epoxy-4-hexene, is explored. Dialkyzinc reagents mediated by catalytic amounts of CuCN provide excellent regio-(SN2'/SN2) and diastereo-(olefinic E/Z and anti/syn-) selectivity with n-Bu, Et and t-Bu ligands, while reduced E/Z and SN2'/SN2- ratios were achieved with aromatic ligands (e.g., furyl and Ph). The assignment of regio- and stereoisomers were achieved by alternative syntheses of the authentic compounds. …


Self-Assembled And Flow Induced Nano-Structures In Polymer Nanocomposites, Dilru Ratnaweera May 2012

Self-Assembled And Flow Induced Nano-Structures In Polymer Nanocomposites, Dilru Ratnaweera

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Distribution of nanoparticles (NPs) in polymers and role of NPs in modifying the structure of the polymeric matrices were studied using X-ray diffraction, neutron scattering, neutron reflectivity and atomic force microscopy techniques. Dispersion of NPs in polymers is challenging due to the aggregation tendency of NPs and inherent mixing challenges of polymer. Several strategies were used to control the NP distribution in polymers, including 'smart blending' and tailoring the interactions of the polymers.
In smart blending chaotic flow fields were used to disperse and orient montmorillonite NPs in homopolymer melt of polyamide 6 (PA6). The roles of duration of chaotic …


Finding A New Continent Versus Mapping All The Rivers: Recognition, Ownership, And The Scientific Epistemological Development Of Practicing Scientists And Engineers, Andrea Verdan May 2012

Finding A New Continent Versus Mapping All The Rivers: Recognition, Ownership, And The Scientific Epistemological Development Of Practicing Scientists And Engineers, Andrea Verdan

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Maintaining our nation's standing as a leader of innovative and premier science and engineering research requires that those on the trajectory of these careers receive both rigorous and exceptional training. In addition to educating students in the content knowledge of these disciplines, it is also necessary to train them in the professional skills associated with being competent and conscientious scientists and engineers. In the attempts to understand the best strategies to teach these skills, research during the past few decades has shown a steadily increasing interest in improving the scientific literacy of students in science and engineering disciplines. Researchers agree …