Synthesis and characterization of some phenyl azo substituted tetraaza macrocyclic complexes of Ni(II) are reported. Electrochemical behaviour of these macrocyclic complexes has been examined using polarographic, voltammetric and spectroscopic techniques. These studies show that both the ligand and the metal are electrochemically active. The electrochemical behaviour of the azo function has been shown to occur through a single four-electron process. When a nitro group is also present, the nitro function of the azo moiety is reduced in a six-electron cathodic wave.

Densities (ρ) of glycine, L-alanine, and L-valine in aqueous solutions of MgCl₂-6H₂O (0.1-0.8 mol kg^-1) have been measured at 288.15, and 308.15 K. Apparent molar volumes (V_φ), and limiting partial molar volumes (V_φ⁰) of each amino acid have been calculated. These data were combined with the earlier reportedV_φ⁰ values of glycine, L-alanine, and L-valine in aqueous MgCl₂·6H₂O solutions at 298.15 K in order to describe the temperature dependence behaviour of partial molar quantities. Group contributions to partial molar volumes have been determined for the amino acids. The trends of transfer volumes (△V_φ⁰) have been interpreted in terms of solute-cosolute interactions on the basis of a cosphere overlap model. Pair and triplet interaction coefficients have also been calculated from transfer parameters.

Molecular Property Diagnostic Suite (MPDS^TB) is a web tool (http://mpds.osdd.net) designed to assist the in silico drug discovery attempts towards Mycobacterium tuberculosis (Mtb). (MPDS^TB) tool has nine modules which are classified into data library (1–3), data processing (4–5) and data analysis (6–9). Module 1 is a repository of literature and related information available on the Mtb. Module 2 deals with the protein targetanalysis of the chosen disease area. Module 3 is the compound library consisting of 110.31 million unique molecules generated from public domain databases and custom designed search tools. Module 4 contains toolsfor chemical file format conversions and 2D to 3D coordinate conversions. Module 5 helps in calculating the molecular descriptors. Module 6 specifically handles QSAR model development tools using descriptors generated in the Module 5. Module 7 integrates the AutoDock Vina algorithm for docking, while module 8 provides screening filters. Module 9 provides the necessary visualization tools for both small and large molecules. The workflow-based open source web portal,(MPDS^TB) 1.0.1 can be a potential enabler for scientists engaged in drug discovery in general and in anti-TB research in particular.

Polyoxometalate (POM) based gels are synthesized by reacting POMs with an excess of caprolactam. These POM-entrapped caprolactam gels are thermoreversible and possess good mechanical strength. The gelation of POMs in caprolactam matrix brought the gel acidity similar to the physiological pH. The cytotoxicity studies on SCC 131 cell lines using these gels show 50% of cell death in the range of 2 to 6 mM concentration in 48 h. The supramolecular caprolactam matrix with active protons and the redox property of POMs are responsiblefor the cytotoxicity effect.