Facile one-pot synthesis,butyrylcholinesterase and α-glucosidase inhibitory activities,structure–activity relationship,molecular docking and DNA–drug binding analysis of Meldrum’s acid derivatives

Research on Chemical Intermediates - Meldrum’s acid derivatives were facile synthesized by one-pot condensation process and characterized by NMR (1H, 13C, DEPT-90 and DEPT-135) and EI-MS. The...     

Benzimidazole tethered thioureas as a new entry to elastase inhibition and free radical scavenging: Synthesis,molecular docking,and enzyme inhibitory kinetics

The porcine pancreatic elastase inhibition and free-radical scavenging play a crucial role in age progression. All the series of 10 newly synthesized benzimidazole thioureas ( 4a-j ) were assessed for elastase inhibition and radical scavenging activity to identify the suitable anti-aging ingredient for cosmetics products. The compounds 4e , 4f , 4g , and 4h showed inhibition better than the standard, while compound 4f showed the most significant elastase inhibition with the IC₅₀ value of 1.318 ± 0.025 μM compared with oleanic acid IC₅₀ 13.451 ± 0.014 used ±1.989 and 41.563 ± 0.824, respectively, as standard. Molecular docking studies were performed and the compound 4f showed binding energy of 7.2 kcal/mol. Kinetics studies revealed inhibition of the pancreatic elastase in a competitive manner. The relative binding energy and structure activity relationship (SAR) identified compound 4f as an effective inhibitor of porcine pancreatic elastase. Compounds 4e and 4i showed remarkable free-radical scavenging activity with SC₅₀ values of 26.421.     

Birefringence via Doppler broadening and prevention of information hacking

We propose a new scheme for the coherent control of birefringent light pulses propagation in a four-level atomic medium. We modify the splitting of a light pulse by controlling the electric and magnetic responses. The Doppler broadening effect is also noted on the propagation of the birefringent pulses. The dispersions of the birefringence beams are oppositely manipulated for delay and advancement of time at a Doppler width of 10γ. A time gap is created between the birefringence beams, which protects from hacking of information. The time gap is then closed to restore the pulse into the original form by a reverse manipulation of the dispersion of the birefringence beams, i.e., introducing another medium whose transfer function is the complex conjugate of that of the original medium. The results are useful for secure communication technology.     

Enhancement of electrical properties due to Cr substitution in Co-ferrite nanoparticles synthesized by two chemical techniques

Nanocrystalline cobalt ferrites with nominal composition CoCr_xFe_2−xO₄ ranging from x=0.0 to 0.5 with step increment of 0.25 were prepared by sol–gel auto combustion and chemical co-precipitation techniques. A comparative study of structural, electrical and magnetic properties of these ferrites has been measured using different characterization techniques. Structural and micro-structural studies were measured using X-ray diffraction, Fourier transform infra-red spectroscopy (FTIR), scanning electron microscopy and atomic force microscopy. Crystallite sizes of the series are within the range of 12–29±2 nm. Lattice parameters decrease by increasing Cr³⁺ concentration. FTIR confirms the presence of two lattice absorption bands. DC electrical resistivity increases to a value of ∼10¹⁰ Ω-cm with increase in Cr³⁺ concentration, but the most significant increase is in samples prepared by sol–gel combustion. Dielectric properties have been measured as a function of frequency at room temperature. Dielectric loss decreases to 0.1037 and 0.0108 at 5 MHz for chemical co-precipitation and sol–gel combustion, respectively. Impedance measurements further helped in analyzing the electrical properties and to separate the grain and grain boundary resistance effects using a complex impedance analysis. Magnetic parameters were studied using a vibrating sample magnetometer in the applied field of 10 kOe. The saturation magnetization decreased from 63 to 10.8 emu/gm with increase in Cr³⁺ concentration.     

Surface plasmon polaritons induced reduced hacking

There is always need for secure transmission of information and simultaneously compact-size photonic circuits. This can be achieved if surface plasmon-polaritons(SPPs) are used as source of information, and the reduced hacking as the transmission phenomenon. In this article, an SPP-based reduced hacking scheme is presented at interface between atomic medium and metallic conductor. The SPP propagation is manipulated with conductivity of the metal. The delay or advance of the SPP is found to create nanosecond time gap which can be used for storing and sending the information safely. The reduced hacking is further modified with conductivity of the metal and the control parameters of the atomic medium.     

Structure elucidation,DNA binding,DFT, molecular docking and cytotoxic activity studies on novel single crystal (E)-1-(2-fluorobenzylidene)thiosemicarbazide

Compound 3 {(E)-1-(2-fluorobenzylidene)thiosemicarbazide} – a new Schiff base of thiosemicarbazide has been synthesized, characterized and reported for crystal structure. Planer side chain in the crystal structure was observed co-planer with aromatic ring plane and molecules were connected into centrosymmetric dimmers via intermolecular hydrogen bonding. DFT geometry optimization and the relevant quantum parameters indicated unstable and reactive nature of compound 3. Experimental and theoretical findings for DNA binding by UV–visible, cyclic voltammetry and molecular docking studies showed consistency in kinetic (K_b) and thermodynamic (ΔG) parameters and that compound 3 significantly interacted with DNA via intercalation. Viscometric analysis further comprehended intercalation as possible binding mode of the compound with DNA and non-denaturing of DNA in the presence of 10% aqueous DMSO. Docked parameters further assured the drug like characteristics of the investigated compound as fit in Lipinski’s criteria. Dose dependant cytotoxic activity of compound 3 against human Huh-7 cell line indicated its anti-cancer potential at 100?µg/ml concentration.     

Kinetic investigation of redox reaction between vitamin C and ferric chloride hexahydrate in acidic medium

The kinetics of the reaction between vitamin C (l-ascorbic acid) and ferric chloride hexahydrate was investigated in acidic medium at pH 3 spectrophotometrically. The order of the reaction was established by applying different methods, such as initial rate method, integration method and half-life method. The results obtained from each method were correlated with each other and consistency in all methods was observed. The order of the reaction with respect to each reactant was found first and the overall second order was recommended for the reaction.