Synthesis,biological screening,in silico study and fingerprint applications of novel 1, 2, 4-triazole derivatives

A series of novel 1,2,4 triazole derivatives were synthesized by treating 4-bromo-2-(4H-1,2,4-triazole-3-yl)aniline (4) with different substituted benzene sulfonyl chlorides 5(a-f) and benzyl bromides 7(a-e) . IR, ¹H-NMR, ¹³C-NMR, and mass analysis confirmed the structures of the newly synthesized compounds. All derivatives were screened for their in vitro antibacterial activity against two bacterial strains viz Escherichia coli and Staphylococcus aureus, antifungal activity against Aspergillus flavus and Candida albicans, anthelmintic activity against Pheretima posthuma and also cytotoxicity activity against MDA-MB 231 and A375 cancer cell lines. It was found that some of the derivatives showed significant antibacterial, antifungal, anthelmintic, and cytotoxic activities when compared to respective standard drugs. Molecular docking studies have assisted the theoretical binding mode of the target molecules. Compounds were also explored for fingerprint application.     

Insight into OroxylinA-7-O-β-d-Glucuronide-Enriched Oroxylum indicum Bark Extract in Oral Cancer HSC-3 Cell Apoptotic Mechanism: Role of Mitochondrial Microenvironment

Oroxylum indicum, of the Bignoniaceae family, has various ethnomedical uses such as an astringent, anti-inflammatory, anti-bronchitis, anti-helminthic and anti-microbial, including anticancer properties. The druggability of OI stem bark extract was determined by its molecular docking interactions with PARP and Caspase-3, two proteins involved in cell survival and death. Note that 50 µg/mL of Oroxylum indicum extract (OIE) showed a significant (p < 0.05%) toxicity to HSC-3 cells. MTT aided cell viability and proliferation assay demonstrated that 50 µg/mL of OIE displayed significant (p < 0.5%) reduction in cell number at 4 h of incubation time. Cell elongation and spindle formation was noticed when HSC-3 cells were treated with 50 µg/mL of OIE. OIE initiated DNA breakage and apoptosis in HSC-3 cells, as evident from DNA ladder assay and calcein/EB staining. Apoptosis potential of OIE is confirmed by flow cytometer and triple-staining (live cell/apoptosis/necrosis) assay. Caspase-3/7 fluorescence quenching (LANCE) assay demonstrated that 50 µg/mL of OIE significantly enhanced the RFU of caspases-3/7, indicating that the apoptosis potential of OIE is probably through the activation of caspases. Immuno-cytochemistry of HSC-3 cells treated with 50 µg/mL of OIE showed a significant reduction in mitochondrial bodies as well as a reduction in RFU in 60 min of incubation time. Immunoblotting studies clearly showed that treatment of HSC-3 cells with OI extract caused caspase-3 activation and PARP deactivation, resulting in apoptotic cell death. Overall, our data indicate that OIE is an effective apoptotic agent for human squamous carcinoma cells and it could be a future cancer chemotherapeutic target.     

Radiochemical separation of Mn/II/ with 1,2,3-benzotriazole into 1-octanol employing solvent extraction technique

1,2,3-Benzotriazole /1,2,3-BT/ has been used for the radiochemical separation of Mn/II/ employing solvent extraction technique. Based on various parameters such as pH effect, time of equilibration and effect of various solvents, etc. the ideal conditions for the extraction of Mn/II/ was evaluated. The stoichiometry of the metal to reagent was determined by the substoichiometric extraction and slope-ratio method and found to be 12. The effect of anions on the extraction value of Mn/II/ revealed that a large number of anions do not interfere. Separation factors for various elements were also studied and the extraction found to be selective.     

Novel photosensitizer for dye-sensitized solar cell based on ionic liquid–doped blend polymer electrolyte

The existing energy situation demands not only the huge energy in a short time but also clean energy. In this regard, an integrated photo-supercapacitor device has been fabricated in which photoelectric conversion and energy storage are achieved simultaneously. A novel carbazole-based dye is synthesized and characterized for photosensitizer. The silver-doped titanium dioxide (Ag-TiO₂) is synthesized, and it is used as photoanode material. Different concentrations of tetrabutylammonium iodide (TBAI)-doped polyvinyl alcohol–polyvinylpyrrolidone (PVA-PVP) blend polymer electrolytes are prepared, and their conductivity and dielectric properties were studied. Reduced graphene oxide (r-GO) is synthesized by a one-pot synthesis method and confirmed using Raman spectroscopy for counter electrode material in dye-sensitized solar cell (DSSC) and supercapacitor electrodes. The DSSC having 4% Ag-TiO₂–based photoanode showed the highest efficiency of 1.06% (among r-GO counter electrodes) and 2.37% (among platinum counter electrodes). The supercapacitor before integration and after integration exhibits specific capacitance of 1.72 Fg⁻¹ and 1.327 Fg⁻¹, respectively.

Graphical Abstract

     

Aspects of yield and specific activity of (n,γ) produced 177Lu used in targeted radionuclide therapy

¹⁷⁷Lu-labeled receptor avid peptides and monoclonal antibodies have been effectively used in targeted tumor therapy, owing to the ideally suited decay properties and favourable production logistics of ¹⁷⁷Lu [T_½ = 6.65 days; E_β(max) = 497 keV (78.6 %); E_γ = 208 keV (11.0 %)]. The specific activity of ¹⁷⁷Lu produced by the (n,γ) route is one of the important criteria, which determines the efficacy of ¹⁷⁷Lu-labeled receptor-avid biomolecules. The present article highlights that the specific activity of (n,γ) produced ¹⁷⁷Lu cannot be calculated by simply dividing the produced activity by the mass of the target irradiated, unlike other (n,γ) produced medical radioisotopes and there is a significant enhancement of specific activity due to the burn up of the Lu target during irradiation, which is an added advantage towards the utilization of ¹⁷⁷Lu in receptor specific therapeutic radiopharmaceuticals.     

Nickel-Impregnated Silica Nanoparticle Synthesis and Their Evaluation for Biocatalyst Immobilization

In the present investigation, impact of nickel-impregnated silica paramagnetic particles (NSP) as biocatalyst immobilization matrices was investigated. These nanoparticles were synthesized by sol–gel route using a nonionic surfactant block co polymer [poly (ethylene glycol)-block-poly-(propylene glycol)-block-poly (ethylene glycol)]. Diastase enzyme was immobilized on these particles (enzyme-impregnated NSP) as model enzyme and characterized using Fourier-transform infrared spectroscopy and X-ray crystallography. Analysis of enzyme-binding nature with these nanoparticles at different physiological conditions revealed that binding pattern and activity profile varied with the pH of the reaction mixture. The immobilized enzyme was further characterized for its biocatalytic activity with respect to kinetic properties such as Km and Vmax and compared with free enzyme. Paramagnetic nanoparticle-immobilized enzyme showed more affinity for substrate compared to free one. The nature of silica and nickel varied from amorphous to crystalline nature and vice versa upon immobilization of enzyme. To the best of our knowledge, this is the first report of its kind for change of nature from one form to other under normal temperatures upon diastase interaction with NSP.