Synthesis,anticancer, molecular docking and QSAR studies of benzoylhydrazone

To find out effective anticancer compounds we synthesized (1–30) derivatives of 4-isopropylbenzoylhydrazone and evaluated for anticancer potential. The compounds 3, 9, 12, 23, 26 and 28 showed better activities ranging (0.39–1.1 µg/ml) than the standard (1.53 ± 0.01 µg/ml). In line with this, compounds 2, 6, 24, 25 and 29 exhibited better activities compared to the second standard (5FU 4.60 ± 0.01 µg/ml). The best molecular docked complex between the BRCA1 structure and the 1–30 derivatives were analyzed based on the Glide docked score and binding orientation for both the SP and XP mode. The 2D-QSAR analysis reflected a significant correlation between the experimental and the predicted biological activities. The above-mentioned compounds were also assessed by various spectroscopic techniques.     

Synthesis and characterization of magnetic poly(acrylic acid) hydrogel fabricated with cobalt nanoparticles for adsorption and catalytic applications

The present study aimed to synthesize poly(acrylic acid) hydrogel embedded with magnetic cobalt (Co) nanoparticles and to investigate their potential in adsorption and catalysis. The hydrogel was prepared by facile free radical polymerization reaction and Co nanoparticles were fabricated within hydrogel by reducing Co (II) ions using NaBH₄ as reducing agent. Co nanoparticles within hydrogel system imparted magnetic properties to the resulting composite gel and also increased the adsorption capacity. The swelling study of hydrogel was carried out by gravimetric analysis. Different functional groups were identified by Fourier Transform Infrared Spectroscopy and Transmission Electron Microscopy analysis was done to investigate dispersion of Co nanoparticles in hydrogel. The bare hydrogel along with Co nanoparticles loaded gel were tested as adsorbent systems for the removal of a cationic dye (methylene blue) from aqueous solution. 95% removal of methylene blue was achieved with a highest adsorption capacity of 836.5 mg/g of adsorbent. The famous adsorption isotherms were used to evaluate adsorption data. Results showed that Freundlich isotherm model was followed with R² value of 0.95. The hydrogel was also used for catalytic reduction in a toxic pollutant, i.e., 4-nitrophenol. Experimental data for 4-nitrophenol reduction followed pseudo first order kinetics model. Activation energy and apparent rate constant were calculated as 9.24 kJ/mol and 0.24 min⁻¹, respectively. Recycling of the magnetic poly(acrylic acid) hydrogel fabricated with Cobalt nanoparticles was carried out for four consecutive cycles and no significant loss in catalytic activity was observed.

     

Electrical and spectroscopic characterization of polyaniline-polyvinyl chloride (PANI-PVC) blends doped with sodium thiosulphate

Polyaniline is doped with sodium thiosulphate in aqueous tetrahydrofuran (THF) and the blended films have been prepared by changing the amount of doped polyaniline (PANI) in the fixed amount of polyvinyl chloride (PVC). The electrical conductivity of various samples of polyaniline-polyvinyl chloride (PANI-PVC) blends has been studied to see the effect of dopant in the temperature range 300-400 K. Mott's parameters are used to explain the conduction mechanism. Different parameters such as pre-exponential factor (σ₀), activation energy (ΔE) and T₀ have also been calculated to see the effect of chemical doping. The crystallinity of the blends is explained on the basis of T₀. The calculated values of T₀ show that crystallinity increases with an increase of doped PANI in PANI-PVC blends. Fourier transform-infrared (FTIR) spectroscopy is done to explore the nature and interaction of dopant into the polymeric chain.     

Non-abelian isometries and dimensional reduction

Dimensional reduction is carried out for space-times, with or without torsion, which possess non-abelian isometries. The spectra and the equations of motion of the dimensionally reduced theory are obtained directly from the higher dimensional theory. The spectra of the reduced theories are naturally given in terms of scalar fields and antisymmetric tensor field strengths. A method of studying the dependence on the extra dimensions is suggested.     

Cost,Revenue and Profit Efficiency Models in Generalized Fuzzy Data Envelopment Analysis

One of the most important information given by data envelopment analysis models is the cost, revenue and profit efficiency of decision making units (DMUs). Cost efficiency is defined as the ratio of minimum costs to current costs, while revenue efficiency is defined as the ratio of maximum revenue to current revenue of the DMU. This paper presents a framework where data envelopment analysis (DEA) is used to measure cost, revenue and profit efficiency with fuzzy data. In such cases, the classical models cannot be used, because input and output data appear in the form of ranges. When the data are fuzzy, the cost, revenue and profit efficiency measures calculated from the data should be uncertain as well. Fuzzy DEA models emerge as another class of DEA models to account for imprecise inputs and outputs for DMUs. Although several approaches for solving fuzzy DEA models have been developed, numerous deficiencies including the $\alpha$-cut approaches and types of fuzzy numbers must still be improved. This scheme embraces evaluation method based on vector for proposed fuzzy model. This paper proposes generalized cost, revenue and profit efficiency models in fuzzy data envelopment analysis. The practical application of these models is illustrated by a numerical example.     

Important insights from the antimicrobial activity of Calotropis procera

Calotropis procera (family Apocynaceae) is a valuable medicinal plant as it contains many valuable phytochemicals such as glycosides (mostly cardenolides), flavonoids, triterpenes, alkaloids, steroids, saponins, proteins and enzymes. Multiparous biological activities such as anti-inflammatory, antioxidant, anticancer, wound healing and wideranging antimicrobial activities of C. procera have been well investigated and reported. The main aim of this review was to present the encompassing information regarding antimicrobial activities of C. procera latex, different crude extracts and some isolated compounds which have been tested for antimicrobial property. Comprehensive data extracted from earlier as well as recently published original articles regarding antibacterial, antifungal, anti-protozoal and antiviral properties of C. procera were discussed and summarised in tabular forms. The compiled data comprised of plant parts, geographical origin, type of tested extracts/fractions, test model, used doses, tested microorganisms, obtained results and relevant references. In addition, the isolated antimicrobial pure compounds of C. procera are also discussed in a separate section. The analysis and information presented in this review identified the existing critical knowledge gaps in the research and also explored the future perspectives and further research opportunities of C. procera.     

Phytochemical Profile,Antioxidant Capacity, α-Amylase and α-Glucosidase Inhibitory Potential of Wild Moroccan Inula viscosa (L.) Aiton Leaves

Medicinal plants offer imperative sources of innovative chemical substances with important potential therapeutic effects. Among them, the members of the genus Inula have been widely used in traditional medicine for the treatment of several diseases. The present study investigated the antioxidant (DPPH, ABTS and FRAP assays) and the in vitro anti-hyperglycemic potential of aerial parts of Inula viscosa (L.) Aiton (I. viscosa) extracts through the inhibition of digestive enzymes (α-amylase and α-glucosidase), responsible of the digestion of poly and oligosaccharides. The polyphenolic profile of the Inula viscosa (L.) Aiton EtOAc extract was also investigated using HPLC-DAD/ESI-MS analysis, whereas the volatile composition was elucidated by GC-MS. The chemical analysis resulted in the detection of twenty-one polyphenolic compounds, whereas the volatile profile highlighted the occurrence of forty-eight different compounds. Inula viscosa (L.) Aiton presented values as high as 87.2 ± 0.50 mg GAE/g and 78.6 ± 0.55mg CE/g, for gallic acid and catechin, respectively. The EtOAc extract exhibited the higher antioxidant activity compared to methanol and chloroform extracts in different tests with (IC₅₀ = 0.6 ± 0.03 µg/mL; IC₅₀ = 8.6 ± 0.08 µg/mL; 634.8 mg ± 1.45 AAE/g extract) in DPPH, ABTS and FRAP tests. Moreover, Inula viscosa (L.) Aiton leaves did show an important inhibitory effect against α-amylase and α-glucosidase. On the basis of the results achieved, such a species represents a promising traditional medicine, thanks to its remarkable content of functional bioactive compounds, thus opening new prospects for research and innovative phytopharmaceuticals developments.     

An azide-bridged copper(II) 1D-chain with ferromagnetic interactions: synthesis,structure and magnetic studies

A coordination polymer of formula [Cu(μ _1,3-N₃)₂(imH)₂] _n (1) has been synthesized by reaction of Cu(NO₃)₂ with imidazole and sodium azide in CH₃OH/CH₃CN. The complex was characterized by FTIR, elemental analysis, powder diffraction, thermogravimetric analysis, magnetic measurements, and single-crystal X-ray diffraction. The X-ray crystal structure shows that the Cu(II) centers have a distorted octahedral coordination geometry, being coordinated by two imidazole ligands at the trans positions. Each azide links two [Cu(imH)₂]²⁺ units to form 1D zigzag chains. Variable-temperature magnetic susceptibility studies at low field reveal dominant intrachain ferromagnetic/antiferromagnetic interactions. Using a model with n = 10, the coupling parameters J _AF = ?2.95 and J _F = 17.99 with g = 2.12 have been determined.     

Amino acid catalyzed reactions. A facile route to some heteroarylbispyrazoles

This newly designed route assembled a pyrazole ring with an aldehydic functionality over another pyrazole moiety. Further, formyl group was exploited in different routes such as condensation reactions, imidazole and pyrimidone/thione synthesis. The present reactions were performed with glycine, a facile catalyst, and the results were compared well with those of conventional methods.