A size-modified poisson–boltzmann ion channel model in a solvent of multiple ionic species: Application to voltage-dependent anion channel

We present a new size-modified Poisson–Boltzmann ion channel (SMPBIC) model and use it to calculate the electrostatic potential, ionic concentrations, and electrostatic solvation free energy for a voltage-dependent anion channel (VDAC) on a biological membrane in a solution mixture of multiple ionic species. In particular, the new SMPBIC model adopts a membrane surface charge density and a natural Neumann boundary condition to reflect the charge effect of the membrane on the electrostatics of VDAC. To avoid the singularity difficulties caused by the atomic charges of VDAC, the new SMPBIC model is split into three submodels such that the solution of one of the submodels is obtained analytically and contains all the singularity points of the SMPBIC model. The other two submodels are then solved numerically much more efficiently than the original SMPBIC model. As an application of this SMPBIC submodel partitioning scheme, we derive a new formula for computing the electrostatic solvation free energy. Numerical results for a human VDAC isoform 1 (hVDAC1) in three different salt solutions, each with up to five different ionic species, confirm the significant effects of membrane surface charges on both the electrostatics and ionic concentrations. The results also show that the new SMPBIC model can describe well the anion selectivity property of hVDAC1, and that the new electrostatic solvation free energy formula can significantly improve the accuracy of the currently used formula. © 2019 Wiley Periodicals, Inc.     

A quick and regioselective access of spirooxindole-oxazoline by reaction of isatin and isocyanoacetate “on water”

A greener, rapid and regioselective “on water” synthesis of spirooxindole-oxazoline by the reaction of isatin and isocyanoacetate at room temperature is described. The developed protocol has the advantage of being atom-economical, eco-friendly, and benign reaction conditions. Broader substrate scope, experimentally simple procedures, and easy purification of products with high yield further make this method attractive. The synthesized compounds have been fully characterized with spectral analysis.     

Synthesis,characterization, and antiplasmodial efficacy of sulfonamide-appended [1,2,3]-triazoles

A series of benzenesulfonamide-appended [1,2,3]-triazole hybrids was synthesized by using [3 + 2] cycloaddition of primary, secondary, and tertiary sulfonamide azides with various phenoxymethylacetylenes under click reaction conditions. After structural characterization, the compounds were subjected to in-silico absorption, distribution, metabolism, excretion and toxicity (ADMET) screening to evaluate their drug-likeness and other pharmacokinetic parameters. Furthermore, their in vitro antiplasmodial potential was assessed against Plasmodium falciparum (3D7) strain, and some of the synthesized compounds displayed promising antimalarial potency. On cytotoxicity evaluation using MTT cell viability assay, the most active candidate N-(4,6-dimethylpyridin-2-yl)-4-(4-(4-nitrophenoxy)methyl)-1H-[1,2,3]-triazol-1-yl)benzenesulfonamide ( 14 ; IC₅₀ 6.2 μg/mL) demonstrated CC₅₀ 7.5 μg/mL against human hepatocarcinoma (HUH-7) cells.     

Mechanistic aspects of the comparative oscillatory electrochemical oxidation of formic acid and methanol on platinum electrode

Journal of Solid State Electrochemistry - The characteristics of the electrochemical oscillations that emerge along the catalytic oxidation of small organic molecules critically depend on the...     

Luminescence Study of ZnS Quantum Dots Prepared by Chemical Method

We report synthesis of ZnS quantum dots by chemical method at room temperature. In this technique, ZnS quantum dots are produced by simple chemical reactions where zeolite, acts as matrix, plays the key role in controlling particle growth during synthesis. Quantum dots exhibit luminescence properties such as Zn²⁺ related emission, efficient low voltage electroluminescence, and super linear voltage-brightness EL characteristics. This study demonstrates the technological importance of semiconductor nanosystems prepared by low cost chemical route.     

Observation of Fano resonance and classical analog of electromagnetically induced transparency in toroidal metamaterials

Toroidal multipoles have recently been explored in various scientific communities, ranging from atomic and molecular physics, electrodynamics, and solid‐state physics to biology. Here we experimentally and numerically demonstrate a three‐dimensionsal toroidal metamaterial where two different toroidal dipoles along orthogonal directions have been observed. The chosen toroidal metamaterial also simultaneously supports Fano resonance and the classical analog of electromagnetically induced transparency (EIT) phenomena in the transmission spectra that originate from the electric–toroidal dipole and electric–magnetic dipole destructive interference. The intriguing properties of the toroidal resonances may open up avenues for applications in toroidal moments generator, sensing and slow‐light devices.     

Singular Propositions,Negation and the Square of Opposition

This paper contains two traditions of diagrammatic studies namely one, the Euler–Venn–Peirce diagram and the other, following tradition of Aristotle, the square of oppositions. We put together both the traditions to study representations of singular propositions (through a diagram system Venn-i, involving constants), their negations and the inter relationship between the two. Along with classical negation we have incorporated negation of another kind viz. absence (taking a cue from the notion of ‘abhãva’ existing in ancient Indian knowledge system). We have also considered the changes that take place in the context of open universe.     

Evaluation of elastic, elastic-plastic properties of thin Pt wire by?mechanical bending test

A testing methodology to determine the elastic-plastic properties of thin metallic wires is reported. A small-scaled bending test of Pt thin wire and the corresponding finite element analysis are performed. By fitting the load-displacement relationship obtained by finite element analysis to the experimental one, the elastic, elastic-plastic properties of Pt wire are successfully determined.