Electrostatically strained

Electrostatic forces 179-181, 325-327 Electrostatic strain and stability 74 Enamines 76, 77 Enantiomer 245 Encounter complex 159 Encounter frequency 164,166 Enediols 251, 252... 

Due to the structure of natural rubber, with its conjugated system of double bonds and the ability to reduce the unwanted dynamic motions associated with a mounting system, isolation is its most important use. However, natural rubber use in seals and gaskets is a natural fit. The automotive chemist chooses natural rubber for several reasons. The elastic behavior of rubber can be attributed to electrostatic strain... 

Keywords X-ray crystallography Crystal structures Alternative binding modes Inhibitors Electrostatic strain Active site mutants Dynamic reaction mechanism Escherichia coli Bacillus subtilis Methanobacterium thermoautotrophicum Yeast... 

Int internal strain component Elec electrostatic interaction component vdW van der Waals interaction component. 

The consistent force field (CFF) was developed to yield consistent accuracy of results for conformations, vibrational spectra, strain energy, and vibrational enthalpy of proteins. There are several variations on this, such as the Ure-Bradley version (UBCFF), a valence version (CVFF), and Lynghy CFF. The quantum mechanically parameterized force field (QMFF) was parameterized from ah initio results. CFF93 is a rescaling of QMFF to reproduce experimental results. These force fields use five to six valence terms, one of which is an electrostatic term, and four to six cross terms. 

Fig. 4.1. As shown on the left, the configuration of conducting plates on the flat faces of piezoelectric disks produces one-dimensional strain and electric field conditions with a guard-ring arrangement. On the right, the typical electrostatic conditions are shown. The axis through the thickness of the disk is chosen as the x axis.

Destabilization of the ES complex can involve structural strain, desolvation, or electrostatic effects. Destabilization by strain or distortion is usually just a consequence of the fact (noted previously) that the enzyme is designed to bind the transition state more strongly than the substrate. When the substrate binds, the imperfect nature of the fit results in distortion or strain in the substrate, the enzyme, or both. This means that the amino acid residues that make up the active site are oriented to coordinate the transition-state structure precisely, but will interact with the substrate or product less effectively. 

In this paper, we study the stabihty of the carbonium ion intermediate formed in the cleavage of a glycosidic bond by lysozyme. It is found that the electrostatic stabilization is an important factor in increasing the rate of the reaction step that leads to the formation of the carbonium ion intermediate. Steric factors, such as the strain of the substrate on binding to lysozyme, do not seem to contribute significantly. 

Backbone (protein), 1028 Backside displacement. reaction and.363-364 von Baeyer, Adolf, 113 Baeyer strain theory, 113-114 Bakelile, structure of, 1218 Banana, esters in, 808 Barton, Derek, H. R., 389 Basal metabolic rate, 1169 Basal metabolism. 1169-1170 Base, Bronsted-Lowry, 49 Lewis, 57, 59-60 organic, 56-57 strengths of, 50-52 Base pair (DNA), 1103-1105 electrostatic potential maps of. 

Cyclopentenones. from 1.4-diketones. 886-887 Cyclopropane, angle strain in, 115 bent bonds in. 115 from alkenes. 227-229 molecular model of, 111. 115 strain energy of, 114 torsional strain in, 115 Cystathionine, cysteine from. 1177 Cysteine, biosynthesis of, 1177 disulfide bridges from, 1029 structure and properties of, 1018 Cytosine, electrostatic potential map of, 1104... 

Wood and Blundy (2001) developed an electrostatic model to describe this process. In essence this is a continuum approach, analogous to the lattice strain model, wherein the crystal lattice is viewed as an isotropic dielectric medium. For a series of ions with the optimum ionic radius at site M, (A(m))> partitioning is then controlled by the charge on the substituent (Z ) relative to the optimum charge at the site of interest, (Fig. 10) ... 

Figure 13. Electrostatic model fitted to partition coefficients for cations entering the M2-site in orthopyroxene, based on the experiments of McDade et al. (2003a,b). The curves are fits to Equation (7) and can be used to estimate and Do(m2) > from which D-p ui) can be calculated via the lattice strain model. The fit parameters are given in the legend.

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