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In the current work, user-friendly, biodegradable, Zirconium-Lanthanum (ZLPC) and Zirconium-Cerium (ZCPC) complexed Polyvinyl alcohol (PVA) films were solvent casted for effective defluoridation of water. The films were characterised using SEM coupled EDS, XPS, TGA, XRD and FT-IR. These films adsorbed 95−97% fluoride from water at pH 7, with 85% removal by ZLPC and 93% removal by ZCPC within the first 45 minutes of the adsorption process. A maximum adsorption capacity of 11.57 mg/g and 12.88 mg/g, corresponding to ZLPC and ZCPC respectively, was obtained using Langmuir adsorption isotherm. The films followed pseudo-second-order kinetics (R2≤0.99) in both the cases, which was further established by low values of chi-square and root mean square error (RMSE). The ICP-AES analysis confirmed no leaching of the metal ions from the polymer films into the treated water. The films were found to be stable in both acidic and basic medium. No interference to fluoride adsorption was detected even at 100 mg/L of Cl−, NO3− and SO42− while some interference was observed in the presence of PO43− and HCO3−. The change in Gibbs free energy for fluoride adsorption using the ab-initio method was found to be −330.05 kJ/mol, which indicated spontaneity of the process. This was further reinforced by the thermodynamic data obtained from adsorption studies. The films were reusable and showed ∼85% removal of fluoride even after the fifth regeneration cycle. Thus, these handy films have a scope to be developed into a prototype for defluoridation of ground water.

Nanoparticle based sensors are good alternatives for non-enzymatic sensing applications due to their high stability, superior photoluminescence, biocompatibility and ease of fabrication, with the only disadvantage being the cost of the synthesis process (owing to the expensive precursors and infrastructure). For the first time, we report the design of an immunosensor employing streptavidin conjugated copper nanocluster, developed at a much lower cost compared to other nanomaterials like noble metal nanoparticles and quantum dots. Using in silico tools, we have tried to establish the dynamics of conjugation of nanocluster to the streptavidin protein, based on EDC-NHS coupling. The computational simulations have successfully explained the crucial role played by the components of the immunosensor leading to an efficient design capable of high sensitivity. In order to demonstrate the functioning of the Copper Nanocluster ImmunoSensor (CuNIS), HIV-1 p24 biomarker test was chosen as the model assay. The immunosensor was able to achieve an analytical limit of detection of 23.8 pg mL−1 for HIV-1 p24 with a linear dynamic range of 27–1000 pg mL−1. When tested with clinical plasma samples, CuNIS based p24 assay showed 100% specificity towards HIV-1 p24. With the capability of multiplexed detection and a cost of fabrication 100 times lower than that of the conventional metal nanoclusters, CuNIS has the potential to be an essential low-cost diagnostic tool in resource-limited settings.

Given widespread fluoride in the ground water, there is a need for effective defluoridation in several geographical areas. In this regard, we explored heavily doped cationic nano-composites of hydroxyapatite (HA) given its surface chemistry for adsorption of the specific anion. We synthesized and extensively characterized HA nano-rods (HA-NR), Al/Mg-HA nanocomposites and amorphous aluminum hydroxide, and optimized their efficient defluoridation. The kinetics and thermodynamics of adsorption were further evaluated to establish the mechanistic rationale and its spontaneity. We report the optimized ideal adsorbents for the near-total removal of fluoride that demonstrated 99.99% and 99.98% efficiency with adsorption capacities of 83.3 and 81.3mg/g respectively. The adsorbent composites were (Mg-HA)-Al(OH)3 and (HA-NR)-Al(OH)3 in 1:1 ratio. The optimal conditions for defluoridation were 25mg of adsorbent in 25ml (10mg/L) fluoride solution at room temperature agitated for 10h in the pH range of 4.88–7.20.

Novel QuinolineAcetohydrazide (QAh) derivatives (9a-n) were firstly evaluated in silico to determine their anti-inflammatory and anti-cancer efficacy via the mechanisms of COX1 and COX2 inhibition, and NF-ĸB, HDAC and Human Topoisomerase I pathways respectively. In the studied set, the trifluoro substituted QAh derivatives: (E)-N'-(4-(trifluoro methyl) benzylidene)-2-(7-fluoro-2-methoxy quinolin-8-yl) acetohydrazid and (E)-N'-(3-(trifluoro methyl) benzylidene)-2-(7-fluoro-2-methoxy quinolin-8-yl) acetohydrazide are determined to be potential leads, indicated from their best docked scores, relative ligand efficiency, and significant structural attributes evaluated by ab initio simulations. The only setback being their partition co-efficient that retrieved a red flag in the evaluation of their Lipinski parameters. The experimental in vitro studies confirmed the significant enhancement as COX-2 inhibitors and appreciable enhancement in MTT assay of breast and skin cancer cell lines. Significantly, trifluoro substituent in the quinoline scaffold can be reasoned to note the excellent binding affinity to all the evaluated drug targets.