Volume mapping

Note The injection/compression moulding process capability maps 1, 2 and 3 are used for large parts with a major dimension greater than 50 mm typically and/or for large production volumes. Map 4 is for injection moulded parts that have a major dimension less than 150 mm and which are produced in small volumes. 

TTie force-curve mapping technique is often referred to as force-volume mapping commercially, although sample volume is not probed unless stiff levers or compliant surfaces are used. 

Figure 13 Compounds active against HRV-14, which were used in the development of the volume map model.

Figure 16 Overlay of volume maps of active compounds and inactive compounds. 

Figure 21 Comparison of volume map for HRV-14 generated from x-ray data (left) and small-molecule energy-minimized structures (right). 

Volume Mapping. One method of displaying molecular surfaces that retains the ability to transform the display interactively has been developed by Marshall and Barry (424). The procedure involves computing a molecular pseudo-electron density map on a... 

Figure 10. Excluded volume map for active hexoses pictured in Figure 9. Volume map of alloxan and difference map showing small region of alloxan not accommodated by hexose map.

Fig. 4. Molecular modeling of (-)-2l -THC ligands with different substitution in the C-1 side chain position using molecular mechanics/molecular dynamics. CB1/CB2 receptor-excluded volume map (redcontours and essential volume map (white grid for the C-1 subsite in zl -THC series. The red area represents the free space within the receptor region that accommodates high-affinity C-1 -substituted ligands, whereas, C-1 substituents falling within the white grid experience unfavorable or less favorable interactions at the binding site...

Besides, the molecular comparisons also embrace several critical and vital aspects to expatiate molecular modeling in drug design, such as volume mapping, locus maps, vector maps and conformational mimicry, directionality, and field effects. 

An early report from our group indicated that, in the absence of early recanalization, CTA-Sl typically defines minimal final infarct size and, hence, like DWI and thresholded CBF maps (Fig.5.5, 5.6), can be used to identify infarct core in the acute setting [34] (Figs. 5.5, 5.6). Coregistration and subtraction of the conventional, unenhanced CT brain images from the axial, post contrast CTA source images should result in quantitative blood volume maps of the entire brain [15, 27, 70]. CTA-SI subtraction maps, obtained by coregistration and subtraction of the unenhanced head CT... 

Another recent example of the use of CFM for polymer surfaces is force-volume mapping of stabilized polypropylene films (process stabilizers, UV-stabilizers and antioxidants) [186,187]. The mapping was performed using methyl- or hydroxy- functionalized tips in water or in nitrogen atmosphere. Differences in the pull-off forces between the additives and polypropylene allowed imaging with sub-micrometer resolution of the lateral distribution of the additives present on the surface. By performing pull-off measurements on spin-coated films of pure additives, characteristic pull-off force values were obtained, which made it possible to discriminate between the antioxidant. 

Techniques that can improve statistical sampling are often crucial in these approaches. An excluded-volume map can improve efficiency by focusing particle insertions into free volume voids [159,177-179]. Specially designed Monte Carlo moves allow polymer chain fluctuations within... 

Stapleton, M. R., and Panagiotopoulos, A. Z. 1990. J. Chem. Phys. Application of excluded volume map sampling to phase equihbrium calculations in the Gibbs ensemble. 92 1285. 

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