Diffusion Limitations and Translocation Barriers in Atomically Thin Biomimetic Pores

Ionic transport in nano- to sub-nano-scale pores is highly dependent on translocation barriers and potential wells. These features in the free-energy landscape are primarily the result of ion dehydration and electrostatic interactions. For pores in atomically thin membranes, such as graphene, other factors come into play. Ion dynamics both inside and outside the geometric volume of the pore can be critical in determining the transport properties of the channel due to several commensurate length scales, such as the effective membrane thickness, radii of the first and the second hydration layers, pore radius, and Debye length. In particular, for biomimetic pores, such as the graphene crown ether we examine here, there are regimes where transport is highly sensitive to the pore size due to the interplay of dehydration and interaction with pore charge. Picometer changes in the size, e.g., due to a minute strain, can lead to a large change in conductance. Outside of these regimes, the small pore size itself gives a large resistance, even when electrostatic factors and dehydration compensate each other to give a relatively flat—e.g., near barrierless—free energy landscape. The permeability, though, can still be large and ions will translocate rapidly after they arrive within the capture radius of the pore. This, in turn, leads to diffusion and drift effects dominating the conductance. The current thus plateaus and becomes effectively independent of pore-free energy characteristics. Measurement of this effect will give an estimate of the magnitude of kinetically limiting features, and experimentally constrain the local electromechanical conditions.     

Quantitative characterization and pharmaceutical compatibility between teneligliptin and widely used excipients by using thermal and liquid chromatography tandem mass spectrometry techniques

Journal of Thermal Analysis and Calorimetry - The aim of this work was to evaluate the quantitative characterization and pharmaceutical compatibility study of teneligliptin (TNG) with the commonly...     

An Air‐Stable Na3SbS4 Superionic Conductor Prepared by a Rapid and Economic Synthetic Procedure

All‐solid‐state sodium batteries, using solid electrolyte and abundant sodium resources, show great promise for safe, low‐cost, and large‐scale energy storage applications. The exploration of novel solid electrolytes is critical for the room temperature operation of all‐solid‐state Na batteries. An ideal solid electrolyte must have high ionic conductivity, hold outstanding chemical and electrochemical stability, and employ low‐cost synthetic methods. Achieving the combination of these properties is a grand challenge for the synthesis of sulfide‐based solid electrolytes. Design of the solid electrolyte Na₃SbS₄ is described, realizing excellent air stability and an economic synthesis based on hard and soft acid and base (HSAB) theory. This new solid electrolyte also exhibits a remarkably high ionic conductivity of 1 mS cm^?1 at 25 °C and ideal compatibility with a metallic sodium anode.     

Rankin–Cohen brackets on Jacobi forms and the adjoint of some linear maps

Given a fixed Jacobi cusp form, we consider a family of linear maps between the spaces of Jacobi cusp forms using the Rankin–Cohen brackets, and then we compute the adjoint maps of these linear maps with respect to the Petersson scalar product. The Fourier coefficients of the Jacobi cusp forms constructed using this method involve special values of certain Dirichlet series associated to Jacobi cusp forms. This is a generalization of the work due to Kohnen (Math Z, 207:657–660, 1991) and Herrero (Ramanujan J,  10.1007/s11139-013-9536-5, 2014) in case of elliptic modular forms to the case of Jacobi cusp forms which is also considered earlier by Sakata (Proc Japan Acad Ser A, Math Sci 74, 1998) for a special case.     

Correlation between deformation bleaching and mechanoluminescence in coloured alkali halide crystals

The present paper reports the correlation between deformation bleaching of coloration and mechanoluminescence (ML) in coloured alkali halide crystals. When the F-centre electrons captured by moving dislocations are picked up by holes, deep traps and other compatible traps, then deformation bleaching occurs. At the same time, radiative recombination of dislocation captured electrons with the holes gives rise to the mechanoluminescence. Expressions are derived for the strain dependence of the density of colour centres in deformed crystals and also for the number of colour centres bleached. So far as strain, temperature, density of colour centres, E _a and volume dependence are concerned, there exists a correlation between the deformation bleaching and ML in coloured alkali halide crystals. From the strain dependence of the density of colour centres in deformed crystals, the value of coefficient of deformation bleaching D is determined and it is found to be 1.93 and 2.00 for KCl and KBr crystals, respectively. The value of (D+χ) is determined from the strain dependence of the ML intensity and it is found to be 2.6 and 3.7 for KCl and KBr crystals, respectively. This gives the value of coefficient of deformation generated compatible traps χ to be 0.67 and 1.7 for KCl and KBr crystals, respectively.     

Pressure induced phase transition behaviour in f-electron based dialuminides

The rare-earth and actinide based compounds are endowed with several exotic physical and chemical properties due to the presence of f-electrons. These properties exhibit interesting changes under the action of various thermodynamic fields and hence continues to be a subject of extensive research. For instance, under pressure, the nature of f-electrons can be changed from localized to itinerant, leading to a variety of changes in their structural, physical and chemical properties. The present review on the high pressure phase transition behaviour of dialuminides of rare earths and actinides is an outcome of research in our laboratory during the last five years using a unique combination of a Guinier diffractometer and a diamond anvil cell built in-house. To bring out the correlations between the compressibility and structural behaviour with the electronic structure, we have also carried out electronic structure calculation. Further, the usefulness of Villars’ three parameter structure maps in predicting pressure induced structural transitions has been explored and this has been illustrated with the available phase transition data.     

Improvement in the Performance of Composite Cathode via Solid Electrolyte for High Electrochemical Performance of Li–S Battery

Commercialization of Li–S in present scenario is obstructed by poor performance of cathode and its compatibility with electrolyte used. Here in this work, in order to improve the electrochemical performance all solid state Li–S battery, solid electrolyte (SE) formed by composition of lithium sulfide (Li₂S) and phosphorus pentasulfide (P₂S₅) combinedly called LPS is used. The modified carbon in the form of graphene oxide (GO) and reduced graphene oxide (rGO) as additive is used to provide better electron conduction pathway. High conductivity of the order 10⁻⁴ S cm⁻¹ of prepared LPS overcomes the major drawback of insulating nature of sulfur. The coin cells are fabricated by using above mentioned material as a cathode material, LPS as SE, and lithium foil as anode. The prepared nanocomposites are characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) to study structural and morphological properties. Energy dispersive X-ray spectroscopy (EDS) images of the cathode surface confirms the uniform spreading of material. The electrochemical performance of coin cell is studied by Galvanostatic charge-discharge plot at 0.1 C to check the compatibility of composite and electrolyte prepared. The cells having additive material GO and rGO with host sulfur show better results as compared to the cell having pristine sulfur.     

An unusual synthesis of 3-(2-(arylamino)thiazol-4-yl)-2H-chromen-2-ones from ethyl 2-(chloromethyl)-2-hydroxy-2H-chromene-3-carboxylate via benzopyran ring opening

An unusual and unexpected synthesis of 3-(2-(arylamino)thiazol-4-yl)-2H-chromen-2-ones has been observed by the reaction of ethyl 2-(chloromethyl)-2-hydroxy-2H-chromene-3-carboxylate with various arylthioureas in ethanol under mild reaction conditions with excellent yields. The ambiguity in the structure of the obtained products has been solved by recording its single-crystal X-ray analysis. This protocol has been found to be a novel approach for the preparation of title compounds via benzopyran ring opening. A systematic plausible mechanism has been proposed for the formation of the product. Also, an efficient one-pot three-component method has been demonstrated for the formation of title compounds starting from salicylaldehyde.

     

Nonlinear Dispersive and Dissipative Electrostatic Structures in Two-Dimensional Electron-Positron-Ion Quantum Plasma

The nonlinear features of two-dimensional ion acoustic(IA) solitary and shock structures in a dissipative electron-positron-ion(EPI) quantum plasma are investigated. The dissipation in the system is taken into account by incorporating the kinematic viscosity of ions in plasmas. A quantum hydrodynamic(QHD) model is used to describe the quantum plasma system. The propagation of small but finite amplitude solitons and shocks is governed by the Kadomtsev-Petviashvili-Burger(KPB) equation. It is observed that depending on the values of plasma parameters(viz.quantum diffraction, positron concentration, viscosity), both compressive and rarefactive solitons and shocks are found to exist. Furthermore, the energy of the soliton is computed and possible solutions of the KPB equation are presented numerically in terms of the monotonic and oscillatory shock profiles     

Structure and reaction dynamics of SHE Z = 130

This study investigates the structural properties of super-heavy nuclei with Z = 130 by adopting the relativistic mean-field(RMF) theory within an axially deformed oscillator basis with the NL3 force parameter set. We study the binding energies, quadrupole deformation, nuclear radii, neutron separation energies, and other bulk properties.Moreover, we analyze the favorable decay modes for clear cognitive content of nuclei, such as alpha decay, using different formulae including the Viola-Seaberg, analytical formula of Royer, universal curve formula, and universal decay law. We compare these with the corresponding fission process. The spontaneous fission of super-heavy nuclei is studied with Z = 130 within the mass region 310 ≤A≤340. The results exhibit good agreement with finite range droplet model(FRDM) data. This formalism presents a significant step forward in the study of the structure and decay modes of the isotopes of Z = 130. With this appraisal, we investigate the possible shell/sub-shell closure for super-heavy nuclei adjacent by decay chains of alpha and other radioactive decay particles.