Inhibition of Plasmodium falciparum Lysyl-tRNA Synthetase via a Piperidine-Ring Scaffold Inspired Cladosporin Analogues

Plasmodium falciparum lysyl-tRNA synthetase (PfKRS) represents a promising therapeutic anti-malarial target. Cladosporin was identified as a selective and potent PfKRS inhibitor but lacks metabolic stability. Here, we report chemical synthesis, biological evaluation and structural characterization of analogues where the tetrahydropyran (THP) frame of cladosporin is replaced with the piperidine ring bearing functional group variations. Thermal binding, enzymatic, kinetic and parasitic assays complemented with X-ray crystallography reveal compounds that are moderate in potency. Co-crystals of Cla−B and Cla−C with PfKRS reveal key atomic configurations that allow drug binding to and inhibition of the enzyme. Collectively these piperidine ring scaffold inhibitors lay a framework for further structural editing and functional modifications of the cladosporin scaffold to obtain a potent lead.     

A hybrid convolutional neural network model to detect COVID-19 and pneumonia using chest X-ray images

A hybrid convolutional neural network (CNN)-based model is proposed in the article for accurate detection of COVID-19, pneumonia, and normal patients using chest X-ray images. The input images are first pre-processed to tackle problems associated with the formation of the dataset from different sources, image quality issues, and imbalances in the dataset. The literature suggests that several abnormalities can be found with limited medical image datasets by using transfer learning. Hence, various pre-trained CNN models: VGG-19, InceptionV3, MobileNetV2, and DenseNet are adopted in the present work. Finally, with the help of these models, four hybrid models: VID (VGG-19, Inception, and DenseNet), VMI(VGG-19, MobileNet, and Inception), VMD (VGG-19, MobileNet, and DenseNet), and IMD(Inception, MobileNet, and DenseNet) are proposed. The model outcome is also tested using five-fold cross-validation. The best-performing hybrid model is the VMD model with an overall testing accuracy of 97.3%. Thus, a new hybrid model architecture is presented in the work that combines three individual base CNN models in a parallel configuration to counterbalance the shortcomings of individual models. The experimentation result reveals that the proposed hybrid model outperforms most of the previously suggested models. This model can also be used in the identification of diseases, especially in rural areas where limited laboratory facilities are available.     

Effect of Mn doping concentration on structural,vibrational and magnetic properties of NiO nanoparticles

The Ni_1?xMn_xO (x?=?0.00, 0.02, 0.04 and 0.06) nanoparticles were synthesized by chemical precipitation route followed by calcination at 500?°C for 4?h. The prepared samples were characterized by energy dispersive analysis of X-rays (EDAX), powder X-ray diffraction (XRD), transmission electron microscopy (TEM), Raman spectroscopy, Fourier transform infrared spectroscopy (FT-IR) and vibrating sample magnetometer (VSM). Rietveld refinement of XRD data confirms the structural phase purity and XRD patterns are well indexed to NaCl like rock salt fcc crystal structure with Fm-3m space group. The particle size of Mn doped samples is found to be less than that of pure NiO sample. However, the particle size increases slightly on increasing the Mn concentration due to surface/grain boundary diffusion. The vibrational properties of the synthesized nanoparticles were investigated by Raman and FT-IR spectroscopy. The results of room temperature magnetization (M-H) and temperature dependent magnetization (M-T) measurements are explained with a core-shell model. The synthesized nanoparticles show weak ferromagnetic and super-paramagnetic like behavior at room temperature.     

Inflationary scenario in Bianchi Type V space-time for a barotropic fluid distribution with variable bulk viscosity and vacuum energy density

We examine an inflationary scenario in Bianchi Type V space-time for a barotropic fluid distribution with variable bulk viscosity and decaying vacuum energy density. We observe that the matter density ρ, the coefficient of bulk viscosity ζ and the expansion θ all diverge at τ = 0. The spatial volume increases with time, representing an inflationary scenario. The deceleration parameter q < 0 for barotropic, dust and radiation dominated models representing an accelerated universe, while for a stiff fluid distribution q > 0 corresponding to a decelerated universe. The vacuum energy density Λ decreases with time. The entropy per unit volume is proportional to the absolute temperature. The energy conditions (weak, dominant and strong) are discussed for the model. The reality condition ρ + p ≥ 0 is violated for the inflationary model due to the presence of a scalar field (φ). We also discuss the importance of Bianchi Type V model where the anisotropy dies away during the inflationary era. We also calculate the inflationary parameters and compare the results with the Planck data and discuss their compatibility with anisotropy and BAO estimates. The cosmological constant Λ is a function of time without break general covariance. We also discuss the bounds of the model, how the model isotropizes, where the fluid goes after inflation and how viscosity may realize a graceful exit from inflation to a radiation dominated era.     

An In Situ Cross‐Linked Nonaqueous Polymer Electrolyte for Zinc‐Metal Polymer Batteries and Hybrid Supercapacitors

This work reports the facile synthesis of nonaqueous zinc‐ion conducting polymer electrolyte (ZIP) membranes using an ultraviolet (UV)‐light‐induced photopolymerization technique, with room temperature (RT) ionic conductivity values in the order of 10^?3 S cm^?1. The ZIP membranes demonstrate excellent physicochemical and electrochemical properties, including an electrochemical stability window of >2.4 V versus Zn|Zn²⁺ and dendrite‐free plating/stripping processes in symmetric Zn||Zn cells. Besides, a UV‐polymerization‐assisted in situ process is developed to produce ZIP (abbreviated i‐ZIP), which is adopted for the first time to fabricate a nonaqueous zinc‐metal polymer battery (ZMPB; VOPO₄|i‐ZIP|Zn) and zinc‐metal hybrid polymer supercapacitor (ZMPS; activated carbon|i‐ZIP|Zn) cells. The VOPO₄ cathode employed in ZMPB possesses a layered morphology, exhibiting a high average operating voltage of ≈1.2 V. As compared to the conventional polymer cell assembling approach using the ex situ process, the in situ process is simple and it enhances the overall electrochemical performance, which enables the widespread intrusion of ZMPBs and ZMPSs into the application domain. Indeed, considering the promising aspects of the proposed ZIP and its easy processability, this work opens up a new direction for the emergence of the zinc‐based energy storage technologies.     

Comparison of rolled and heat treated SS304 in chloride solution using electrochemical and XPS techniques

SS304 in the rolled condition (66% cold work) and in the heat treated condition (solution quenched from 1100 °C) was assessed for its electrochemical behavior in de-aerated 3.5% NaCl by potentiodynamic polarization and AC impedance techniques. Surface analysis of films formed on the two materials in air and in solution was done using XPS. Open circuit potential (OCP) and pitting potential of the rolled SS304 were seen to be −0.25 V vs standard calomel electrode (SCE) and 0.25 V vs SCE respectively, while the heat treated sample showed −0.33 V vs SCE and 0.06 V vs SCE respectively. The rolled material showed a passive current density of 0.9 μA cm⁻², which was about one order lower than that shown by the heat treated material. The rolled material, in addition, exhibited repassivation at 0.085 V vs SCE during reverse scanning of potential. Repassivation was not observed in the heat tread sample. XPS showed that films on rolled material were richer in chromium as compared with those on heat treated alloy. Better passivation characteristics shown by the rolled material were attributed to thicker passive film with a higher Cr:Fe ratio, the higher Cr being the result of enhanced diffusion through the oriented grains in the rolled material.     

A Study on Corrosion Resistance and Mechanical Performance of 6061 Aluminium Alloy: Galvanized Mild Steel Electron Beam Welds at Varying Welding Parameters

Transactions of the Indian Institute of Metals - Dissimilar welds of steel and aluminium alloys have an inherent problem of the vast difference in solid solubility which questions their integrity....     

The effect of IR compensation on stationary and oscillatory patterns in dual-electrode metal dissolution systems

We report an experimental and model based study on the effect of negative coupling, induced by adding IR compensation, on bistability, and synchronization behavior of a dual-electrode metal dissolution electrochemical system. We show that, unlike the case of a single electrode, IR compensation cannot be used to remove bistability; with a large IR compensation the electrodes do not exhibit uniform steady states and patterned surface develops. In the case of oscillatory system, addition of IR compensation produces aperiodic time series that are characterized by switching between oscillations with 1:1, 1:2, and 2:1 entrainment ratios. For higher negative coupling strengths (i.e., larger magnitude of IR compensation) amplitude death occurs and either coexistence of oscillations with steady state or multiple anti-symmetric steady states are observed.     

Low temperature silicon oxide and nitride for surface passivation of silicon solar cells

Surface passivation at low processing temperature becomes an important topic for crystalline and multicrystalline silicon solar cells. In this work, silicon oxide (250°C) and silicon nitride (300°C) have been developed by Photo-CVD and PECVD technique respectively. Effects of deposition parameters on the optoelectronic and structural properties of the films have been investigated. Interface-trap density (D_it) and fixed charge density (Qf) have been estimated by high frequency (1 MHz) capacitance-voltage measurement on Metal–Insulator–Silicon structure (CV-MIS). The effect of silicon oxide and silicon nitride on the performance of c-Si solar cells have been studied.