Effect of compatibilizer on the dynamic mechanical and electrical properties of kaolin clay reinforced EPDM rubber

Industrial pollution issue and dark colour of carbon black, clay based non black filler are getting more importance for reinforcing elastomer. EPDM-Kaolin composites with various maleated EPDM concentration have been prepared by mixing on a two roll mill. The rheometry data showed the optimum cure time increases with increasing compatibilizer concentration without decreasing torque value indicating that acidic functional groups comes from compatibilizer could retard cure rate and increase the optimum cure time rather than change in the ultimate cure state. As the filler concentration increases, the edge to edge and face to edge interaction between filler and EPDM increases and the free volume between EPDM molecules is reduced, the storage modulus increases. Moreover, the dynamic mechanical analysis also showed the increase in glass transition temperature with increase in filler concentration due to the inter-tubular diffusion of EPDM inside the clay. It was also observed that with increasing filler concentration, the resistivity and dielectric strength decreases and moreover with increasing compatibilizer concentration the resistivity decreases due to better dispersion of filler helps to build conduction path. The morphological study also revealed that homogeneity of filler dispersion increases with increase in compatibilizer concentration

N-H···O, O-H···O, and C-H···O hydrogen bonds in protein-ligand complexes: strong and weak interactions in molecular recognition

The characteristics of N-H···O, O-H···O, and C-H···O hydrogen bonds are examined in a group of 28 high-resolution crystal structures of protein-ligand complexes from the Protein Data Bank and compared with interactions found in small-molecule crystal structures from the Cambridge Structural Database. It is found that both strong and weak hydrogen bonds are involved in ligand binding. Because of the prevalence of multifurcation, the restrictive geometrical criteria set up for hydrogen bonds in small-molecule crystal structures may need to be relaxed in macromolecular structures. For example, there are definite deviations from linearity for the hydrogen bonds in protein-ligand complexes. The formation of C-H···O hydrogen bonds is influenced by the activation of the CaH atoms and by the flexibility of the side-chain atoms. In contrast to small-molecule structures, anticooperative geometries are common in the macromolecular structures studied here, and there is a gradual lengthening as the extent of furcation increases. C-H···O bonds formed by Gly, Phe, and Tyr residues are noteworthy. The numbers of hydrogen bond donors and acceptors agree with Lipinski's "rule of five"that predicts drug-like properties. Hydrogen bonds formed by water are also seen to be relevant in ligand binding. Ligand C-H···Ow interactions are abundant when compared to N-H···Ow and O-H···Ow. This suggests that ligands prefer to use their stronger hydrogen bond capabilities for use with the protein residues, leaving the weaker interactions to bind with water. In summary, the interplay between strong and weak interactions in ligand binding possibly leads to a satisfactory enthalpy-entropy balance. The implications of these results to crystallographic refinement and molecular dynamics software are discussed