Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 20 of 75 for “"steric effects"”.
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Particle Transport in Confinement: Nonlinearity, Compressibility, and Steric Effects
… of water. Lastly, we also investigate how steric effects play a role in particle transport near a solid boundary. We show that externally driven active colloids can trap and transport passive particles by steric interactions with a wall, which irreversibly changes the trajectories of …
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Modeling steric effects in antibody aggregation using rule-based methods
… models provide information about the average steric hindrance between binding regions and the probability that IgE-FcεRI receptor complexes will bind to these regions. In ad- dition, the optimized rule-based models provide a means of quantifying the variation in aggregate size distribution …
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Steric Effects of Alkyl Ammonium Salts on the Combustion of Exchanged Smectite Clays
<p>Bomb calorimetry was explored as a new method for determining the cation exchange capacity (CEC) of clays. Smectite clays were modified with several alkyl ammonium salts varying in number of carbons and the spatial orientation of the carbons about the central nitrogen atom. The clays used, …
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Nuclear Magnetic Resonance Spectroscopic Studies of the Role Steric Effects in Molecular Interactions Using Rationalised Data Processing Procedures
… the approach of the solute to the aromatic is sterically hindered by substituents of greater bulk than three methyl groups. Such substituents in fact tend to exclude the solute. Finally, as a result of a study of a reference independent shift technique, a new method of determining magnetic …
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Steric aspects of the interaction of metal species with nucleic acid constituents
The delineation of steric effects in the interaction of metal species with biomolecules has been addressed. More specifically, a focus has been placed on the interaction of platinum complexes with nucleoconstituents. Steric effects thus characterised have been related to the biological properties …
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Using Unnatural Amino Acids and Nonnative Cofactors for Metalloprotein Design and Engineering
… indicate that these changes may be due to the steric effects of the linker arms inside the protein cavity. The realization that the covalent anchors exert effects through interaction with substrates entering the pocket will help design better metalloproteins.
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Substitution and redox reactions of heptarhenium cluster derivatives
… to correlate the results to electronic and/or steric effects, steric profiles relating log k$\sb2$ to an intrinsic reactivity $(\alpha),$ an electronic parameter $(\beta),$ and a steric parameter $(\theta)$ were constructed. From differences in intrinsic reactivity for phosphines and …
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Non-linear electrophoresis of ideally polarizable particles
… approaches to the problem accounting for ion steric effects, dielectric decrement effects and charge-induced thickening are consolidated, further developed and validated using numerical simulations. In doing so, the influences of the relative strengths of surface conductivity and bulk …
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The chemistry of zinc hydrides.
… from dimers, in cases where intramolecular steric effects allowed this, to polymers where intramolecular coordination bonds could not be formed e.g. [m-Me[2]NC[6]H[4]OZnH][n]. Several unusual complex zinc hydrides were obtained, where the reacting substrate appeared to undergo condensation …
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ΣΥΝΘΕΣΗ ΚΑΙ ΦΑΡΜΑΚΟΧΗΜΙΚΗ ΜΕΛΕΤΗ ΜΕΡΙΚΩΝ ΥΠΟΚΑΤΕΣΤΗΜΕΝΩΝ ΜΟΡΦΟΛΙΝΩΝ ΜΕ ΒΙΟΛΟΓΙΚΟ ΕΝΔΙΑΦΕΡΟΝ
… ARE SYNTHESIZED AND THE IMPORTANCE OF VARIOUS EFFECTS (E.G. INDUCTIVE, MESOMERIC, STEREOCHEMICAL) IS STUDIED. IONIZATION CONSTANTS (PKA'S) AND PARTITION COEFFICIENTS (N-OCTANOL-WATER OF THE SYNTHESIZED MORPHOLINES ARE DETERMINED EXPERIMENTALLY. THE RESULTS ARE DISCUSSED IN TERMS OF …
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Finite element methods for implicit solvent models
… molecules of varying size. The inclusion of steric effects is important in regions of high potential. Hence, we consider a modified PBE, in order to model these effects. We establish well-posedness of the weak problem along with convergence of an associated finite element formulation. We also …
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De novo prediction of the ground state structure of transition metal complexes.
… metal, exhibiting diverse electronic and steric effects, have been investigated. In this research, a novel de novo scheme for structural prediction of transition metal complexes was developed, tested and shown to be successful.
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Characterization of Methyltrimethoxysilane Sol-Gel Polymerization and the Resulting Aerogels.
… these properties and gelation behaviors. The effects of pH, water concentration, type of solvents, and synthesis procedures (single step acid catalysis and two-step acid/base catalysis) on MTMS polymerization were discussed. The reactivity of silicon species with different connectivity and the …
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The chemistry of some polysubstituted derivatives of di - and triphenylmethane dyes
… that of Malachite Green. In most cases where steric effects are unimportant an additive relationship is found between the electronic effects of the substitüents and the position of the first frequency absorption band. It is noted that the 2,3dichloro derivative produced an anomalous spectral …
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A study of electrochemical transport and diffuse charge dynamics using a Langevin equation
… phenomena at scales where the noncontinuum effects become significant have included continuum models based on the Poisson-Nernst-Planck equations and atomic simulations using molecular dynamics algorithms. Neither of them is easy to use or conducive to electrokinetic transport modeling in …
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Asymmetric Dihydroxylation and Aziridination of Allenes and Related Chemistry
… 1,3-disubstituted and trisubstituted allenes. Steric effects, electronic effects and allene substitution are also discussed. Aziridines were formed by copper-catalyzed intramolecular nitrene addition to alkenes. The carbamate group was used as the tether between the alkene and the nitrene. …
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A study of electrochemical transport and diffuse charge dynamics in nanoscale devices using a Langevin equation
… phenomena at scales where non-continuum effects become significant have included continuum models based on the Poisson-Nernst-Planck equations and atomic simulations using molecular dynamics algorithms. Neither of them is easy to use or conducive to electrokinetic transport modeling in …
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Synthesis and Characterization of Molecule-Based Magnets Containing Methyl-Substituted Phenyltricyanoethylene Acceptors
… for the purpose of studying electronic and steric effects of the substitution of the phenyl ring with electron donating groups on the overall magnetic properties of the solid, specifically to contrast their behavior with materials that contain similar trifluoromethyl (-CF3) substituted …
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Transition metal-catalyzed cross-coupling reactions of functionalized organometallic reagents
… is highly tolerant towards electronic as well as steric effects.
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