Structure-Affinity Binding Relationships of Some 4-Aminoazobenzene (cas 22-16-2) Derivatives for Cellulose Fibre

Add time:09/29/2019    Source:infona.pl

Dye-fibre interactions were modelled for a series of 20 disperse dyes on cellulose fibre by means of the Free-Wilson and MTD (minimum steric difference) methods. Both methods indicate good correlations with dye affinities R = 0 999 and s = 0 317 for the Free-Wilson analysis and R = 0 895, s = 0 939 for the MTD method. The optimized receptor map resulted from the MTD calculations. Substituent contributions to dye affinity from the Free-Wilson analysis suggest the same attractive regions in the dye molecules (and a few steric constraints). The cross-validated r 2 values from the MTD method (R 2 C V i = 0 432; R 2 C V f = 0 613) indicate a satisfactory predictability of the proposed model.

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