Improvement in fluoride remediation technology using GIS based mapping of fluoride contaminated groundwater and microbe assisted phytoremediation.

Fluoride (F) in groundwater is a major issue of water pollution. Geo-statistical analysis of groundwater quality in Newai Tehsil, (India) has been done in order to identify the possible spatial distribution of water quality parameters and to assess the spatial dependence of water properties with the help of principal component analysis (PCA) structure. Two types of maps (spatial map and principal component map) of groundwater quality have been developed. A field experiment was conducted to investigate the effect of different Fluoride (F) concentration combined with Pseudomonas fluorescens (P.F) on Prosopis juliflora plant. The field design was used as completely randomized block design with three replicates. Study revealed that parameters were found to be positively and highly correlated with principal component. Low and high values (with their acceptable limit) have also been displayed over the each spatial map. Plants treated with P. fluorescens showed the highest F uptake in root, shoot and leaves tissues were 33.14, 19.41 and 15.15 mg kg-1 after 120 days, respectively. Both total bioaccumulation factor (BF) and translocation factor (TF) were obtained above one i.e., 1.06 and 1.04, this confirmed the high accumulation and translocation of F in plant tissues. The F uptake efficiency of plant was enhanced to 67.7% and plant biomass was increased upto 57.03%. According to the available literature, this is the first spatial field study for the remediation of F polluted soil through P. fluorescens. The present study will be beneficial for researchers working towards further improvement of F phytoremediation technology. Also, GIS based study can be very useful for decision maker's exploration of groundwater to understand the potential of present research work on fluoride contamination.

Molecular properties prediction and synthesis of novel 1,3,4-oxadiazole analogues as potent antimicrobial and antitubercular agents.

In the present investigation, a series of 1,5-dimethyl-2-phenyl-4-{[(5-aryl-1,3,4-oxadiazol-2-yl)methyl]amino}-1,2-dihydro-3H-pyrazol-3-one were subjected to molecular properties prediction, drug-likeness by Molinspiration (Molinspiration, 2008) and MolSoft (MolSoft, 2007) software, lipophilicity and solubility parameters using ALOGPS 2.1 program. The compounds followed the Lipinski 'Rule of five' were synthesized for antimicrobial and antitubercular screening as oral bioavailable drugs/leads. Maximum drug-likeness model score (0.95) was found for compound, 4a. All the synthesized compounds were characterized by IR, NMR and mass spectral analysis followed by antimicrobial and antimycobacterial screening. Among the title compounds, compound 4d showed pronounced activity against Mycobacterium tuberculosis H(37)Rv and isoniazid resistant M. tuberculosis (INHR-TB) with minimum inhibitory concentrations (MICs) 0.78µM and 1.52 µM, respectively. The compound, 4a showed maximum activity against all bacterial strains with MIC 4-8 µg/mL comparable to standard drug ciprofloxacin, while the compounds, 4e and 4k showed maximum antifungal activity with MIC 8-16 µg/mL less active than standard drug fluconazole.

Discovery of novel methanone derivatives acting as antimycobacterial agents.

A series of pyrazoline derivatives were synthesized and in vitro activity against Mycobacterium tuberculosis H37Rv was carried out. Among the synthesized compounds, compounds (4d) and (4f) 4-aminophenyl-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2,3,3a,4-tetrahydroindeno[1,2-c]pyrazol-2-ylmethanone and 4-aminophenyl-6,7-dimethoxy-3-phenyl-2,3,3a,4-tetrahydroindeno[1,2-c]pyrazol-2-ylmethanone were found to be the most active agent against M. tuberculosis H37Rv with a minimum inhibitory concentration of 10 µg/mL.