Quantum chemical calculation, performance of selective antimicrobial activity using molecular docking analysis, RDG and experimental (FT-IR, FT-Raman) investigation of 4-[{2-[3-(4-chlorophenyl)-5-(4-propan-2-yl) phenyl)-4, 5-dihydro- 1H- pyrazol-1-yl]-4-oxo-1, 3- thiazol-5(4H)-ylidene} methyl] benzonitrile.

The research received a great deal of worldwide attention due to the nature of interpretation before the experimental process. Based on the systematic process the structure of thiazole -pyrazole compound 4-[{2-[3-(4-chlorophenyl)-5-(4-propan-2-yl) phenyl)-4, 5-dihydro- 1H- pyrazol-1-yl]-4-oxo-1, 3- thiazol-5(4H)-ylidene} methyl] benzonitrile [CPTBN] was investigated. In the first level, the spectral statistics on experimental FT-IR and FT- Raman was reported.

Topological analysis (BCP) of vibrational spectroscopic studies, docking, RDG, DSSC, Fukui functions and chemical reactivity of 2-methylphenylacetic acid.

Experimental FT-IR and FT-Raman spectra of 2-methylphenylacetic acid (MPA) were recorded and theoretical values are also analyzed. The non-linear optical (NLO) properties were evaluated by determination of first (5.5053×10 e.

Multivariate statistical analysis of radiological data of building materials used in Tiruvannamalai, Tamilnadu, India.

Using γ spectrometry, the concentration of the naturally occurring radionuclides (226)Ra, (232)Th and (40)K has been measured in soil, sand, cement, clay and bricks, which are used as building materials in Tiruvannamalai, Tamilnadu, India. The radium equivalent activity (Raeq), the criterion formula (CF), indoor gamma absorbed dose rate (DR), annual effective dose (HR), activity utilization index (AUI), alpha index (Iα), gamma index (Iγ), external radiation hazard index (Hex), internal radiation hazard index (Hin), representative level index (RLI), excess lifetime cancer risk (ELCR) and annual gonadal dose equivalent (AGDE) associated with the natural radionuclides are calculated to assess the radiation hazard of the natural radioactivity in the building materials. From the analysis, it is found that these materials used for the construction of dwellings are safe for the inhabitants.

Measurement of natural radioactivity in building materials of Namakkal, Tamil Nadu, India using gamma-ray spectrometry.

The natural level of radioactivity in building materials is one of the major causes of external exposure to γ-rays. The primordial radionuclides in building materials are one of the sources of radiation hazard in dwellings made of these materials. By the determination of the radioactivity level in building materials, the indoor radiological hazard to human health can be assessed.