Bis{2-[(1H-pyrrol-2-yl)methyl­imino­meth­yl]phenolato-κ2 N,O}zinc(II)

In the title compound, [Zn(C12H11N2O)2], the ZnII atom, lying on an inversion center, is coordinated by two O atoms and two N atoms from two salicylal Schiff base ligands in a distorted square-planar geometry. A three-dimensional network is formed by inter­molecular C—H⋯N hydrogen bonds and C—H⋯π contacts

A novel method for apoptosis protein subcellular localization prediction combining encoding based on grouped weight and support vector machine

AbstractApoptosis proteins have a central role in the development and homeostasis of an organism. These proteins are very important for understanding the mechanism of programmed cell death. Based on the idea of coarse-grained description and grouping in physics, a new feature extraction method with grouped weight for protein sequence is presented, and applied to apoptosis protein subcellular localization prediction associated with support vector machine. For the same training dataset and the same predictive algorithm, the overall prediction accuracy of our method in Jackknife test is 13.2% and 15.3% higher than the accuracy based on the amino acid composition and instability index. Especially for the else class apoptosis proteins, the increment of prediction accuracy is 41.7 and 33.3 percentile, respectively. The experiment results show that the new feature extraction method is efficient to extract the structure information implicated in protein sequence and the method has reached a satisfied performance despite its simplicity. The overall prediction accuracy of EBGW_SVM model on dataset ZD98 reach 92.9% in Jackknife test, which is 8.2–20.4 percentile higher than other existing models. For a new dataset ZW225, the overall prediction accuracy of EBGW_SVM achieves 83.1%. Those implied that EBGW_SVM model is a simple but efficient prediction model for apoptosis protein subcellular location prediction

Aqua­bis(5-methyl­pyrazine-2-carboxyl­ato)zinc(II) trihydrate

In the title compound, [Zn(C6H5N2O2)2(H2O)]·3H2O, the ZnII centre is five-coordinated by two O,N-bidentate Schiff base ligands and one O atom from a water mol­ecule in a slightly distorted square-pyramidal geometry. In the crystal, the complex and uncoordinated water mol­ecules are linked by O—H⋯O, O—H⋯N and C—H⋯O hydrogen bonds, forming a three-dimensional network