Computational Exploration of Phenolic Compounds from Endophytic Fungi as α-Glucosidase Inhibitors for Diabetes Management.

Diabetes has become a global epidemic, affecting even the younger people on an alarming scale. Inhibiting intestinal α-glucosidase is one of the key approaches to managing type 2 diabetes (T2D). In the present study, phenolic compounds (PCs) produced by endophytic fungi as potential α-glucosidase inhibitors (AGIs) are explored through ADMET profiling, molecular docking, and molecular dynamics (MD) Simulations.

Pentylenetetrazole-Induced Seizures in Wistar Male Albino Rats with Reference to Glutamate Metabolism.

Background And Purpose: Epilepsy is a common and heterogenous neurological disorder characterized by recurrent spontaneous seizures. Animal models like rats play a crucial role in finding of mechanism of epilepsy in different brain regions. i.

In silico energetic and molecular dynamic simulations studies demonstrate potential effect of the point mutations with implications for protein engineering in BDNF.

Protein engineering by directed evolution is time-consuming. Hence, in silico techniques like FoldX-Yasara for ∆∆G calculation, and SNPeffect for predicting propensity for aggregation, amyloid formation, and chaperone binding are employed to design proteins. Here, we used in silico techniques to engineer BDNF-NTF3 interaction and validated it using mutations with known functional implications for NGF dimer.

Synthesis, topology, molecular docking and dynamics studies of -phenylenediamine derivative.

The N, N'-(1,2-phenylene) bis (1- (4- chlorophenyl) methanimine) (CS4) was synthesized and characterized by infrared (IR), absorption (UV-vis) and NMR (H and C) spectral analyses. The structural parameters, vibrational frequencies, potential energy and the distribution analysis (PED) were calculated by using DFT with the basis set of B3LYP/cc-pVDZ and these spectral values were compared to the experimental values. HOMO and LUMO studied were performed in order to understand the stability and biological activity of the compound.

Multifunctional characteristics of biosynthesized CoFeO@Ag nanocomposite by photocatalytic, antibacterial and cytotoxic applications.

Carissa carandas, a traditional medicinal herb with a high concentration of antioxidant phytochemicals, has been used for thousands of years in the Ayurveda, Unani, and homoeopathic schools of medicine. By employing Carissa carandas bark extract as a reducing and capping agent in green biosynthesis, we extend this conventional application to produce CoFeO and CoFeO@Ag nanocomposite. A variety of techniques have been used to characterize the synthesised nanocomposite, including UV-Vis, FTIR, XRD, FESEM, EDX, and BET.

Computational analysis of sodium-dependent phosphate transporter SLC20A1/PiT1 gene identifies missense variations C573F, and T58A as high-risk deleterious SNPs.

SLC20A1/PiT1 is a sodium-dependent inorganic phosphate transporter, initially recognized as the retroviral receptor for Gibbon Ape Leukemia Virus in humans. SNPs in SLC20A1 is associated with Combined Pituitary Hormone Deficiency and Sodium Lithium Counter transport. Using techniques, we have screened the nsSNPs for their deleterious effect on the structure and function of SLC20A1.

Miniaturized double transit magnetic field measurement probe using the Faraday rotation principle.

This paper presents the design and experimental results of a double transit magnetic field measurement probe based on the Faraday rotation principle using terbium doped borosilicate glass as a sensor element. When the magnetic field is applied in the direction of propagation of light through the glass, the Faraday effect produces non-reciprocal circular birefringence. This property of the Faraday effect adds rotations when the light beam is reflected using a mirror placed at the other end of the glass and passed through the glass, making double transit of light through the sensor element.

Hepatitis B Prevalence and Risk Factors in Punjab, India: A Population-Based Serosurvey.

Background: The prevalence of hepatitis B virus (HBV) infection in Punjab, India, is unknown. Understanding the statewide prevalence and epidemiology can help guide public health campaigns to reduce the burden of disease and promote elimination efforts.

Methods: A cross-sectional, population-based survey was conducted from October 2013 to April 2014 using a multistage stratified cluster sampling design.

An ultra-sensitive laccase/polyaziridine-bismuth selenide nanoplates modified GCE for detection of atenolol in pharmaceuticals and urine samples.

The analysis of β-blockers in pharmaceutical, biological and environmental samples has gained much interest due to their wide applications. The aim of this study was to develop an enzyme-based biosensor using hexagonal-shaped low-dimensional BiSe NPs decorated with laccase through polyaziridine (PAZ) modified glassy carbon electrode (Lac/PAZ-BiSe NPs/GCE). Surface properties were examined using SEM, TEM, EDX, XRD, XPS, FTIR, UV-Visible, and zeta potential.

Hydrophobic Gating and 1/ Noise of the Anthrax Toxin Channel.

"Pink" or 1/ noise is a natural phenomenon omnipresent in physics, economics, astrophysics, biology, and even music and languages. In electrophysiology, the stochastic activity of a number of biological ion channels and artificial nanopores could be characterized by current noise with a 1/ power spectral density. In the anthrax toxin channel (PA), it appears as fast voltage-independent current interruptions between conducting and nonconducting states.

Adsorption of Congo Red on Pb doped FeO: experimental study and theoretical modeling via double-layer statistical physics models.

Size-controlled PbFeO nanoparticles (Pb-FeONPs) were fabricated by the thermal co-precipitation method and characterized by FE-SEM, EDX, XRD, and IR techniques. The SEM and XRD images showed the average size distribution and average crystallite size of 19.21 nm and 4.

A Selective Ratiometric Receptor 2-((E)-(3-(prop-1-en-2-yl)phenylimino)methyl)-4-nitrophenol for the Detection of Cuions Supported By DFT Studies.

A Schiff-base 2-((E)-(3-(prop-1-en-2-yl)phenylimino)methyl)-4-nitrophenol (Receptor 1) colorimetric probe was synthesized and its UV-visible and fluorescence spectral properties for the sensing of Cu ions in CHOH/HO (60:40,v/v) solvent system was explored. The Receptor 1 showed the discriminating spectral behavior with the addition of Cu ions solution. The other metal ions showed no significant effect towards Receptor 1.

Plasma triggered spark gap switch for multiple switch synchronization.

A four-electrode plasma based triggered spark gap switch is designed for pulsed power applications, which consists of an anode and cathode of a main spark gap switch and an anode and cathode for a trigger pin. The anode and cathode of the trigger pin are coaxially arranged, and the gap between electrodes is 25 μm. A trigger voltage of 200 V is applied across the trigger gap with the help of a switching insulated gate bipolar transistor.

An in-silico layer-by-layer adsorption study of the interaction between Rebaudioside A and the T1R2 human sweet taste receptor: modelling and biosensing perspectives.

The human sweet taste receptor (T1R2) monomer-a member of the G-protein coupled receptor family that detects a wide variety of chemically and structurally diverse sweet tasting molecules, is known to pose a significant threat to human health. Protein that lack crystal structure is a challenge in structure-based protein design. This study focused on the interaction of the T1R2 monomer with rebaudioside A (Reb-A), a steviol glycoside with potential use as a natural sweetener using in-silico and biosensing methods.

Clinical evaluation of the pharmacological impact of ashwagandha root extract on sleep in healthy volunteers and insomnia patients: A double-blind, randomized, parallel-group, placebo-controlled study.

Ethnopharmacological Relevance: Ashwagandha (Withania somnifera (L.) Dunal.) is long known for its sleep-inducing effects.

Simultaneous detection of ethambutol and pyrazinamide with IL@CoFeONPs@MWCNTs fabricated glassy carbon electrode.

For the first time, we report a novel electrochemical sensor for the simultaneous detection of ethambutol (ETB) and pyrazinamide (PZM) using 1-ethyl-3-methylimidazolium tetrafluoroborate ([Emim][BF]) ionic liquid (IL) assimilated with multiwalled carbon nanotubes (MWCNTs) decorated cobalt ferrite nanoparticles (CoFeONPs) on the surface of glassy carbon electrode (GCE). The surface morphological and electrochemical properties of the IL@CoFeONPs@MWCNTs was characterized with X-ray diffraction (XRD), transmission electron microscope (TEM), thermogravimetric analysis (TGA), fourier transform infrared spectroscopy (FTIR) and cyclic voltammetry (CV), differential pulse voltammetry (DPV) respectively. Moreover, the obtained results of CV demonstrated that the 9-folds enhancement in the electrochemical signals was achieved with IL@CoFeONPs@MWCNTs@GCE compared to that of a bare GCE.

Green synthesis of ZnO nanoparticles decorated on polyindole functionalized-MCNTs and used as anode material for enzymatic biofuel cell applications.

Presently, one of the most important aspects for the development of enzymatic biofuel cells (EBFCs) is to synthesize the novel electrode materials that possess high current density, low open-circuit voltage (OCV) and long-term stability. To achieve the above attributes, lots of new strategies are being used by the researchers for the development of advanced materials. Nowadays, nanomaterials and nanocomposites are the promising material that has been utilized as effective electrode material in solar cells, supercapacitors and biofuel cells application.

Modeling of neotame and fructose thermochemistry: Comparison with mono and divalent metal ions by Computational and experimental approach.

The metal complexes can demonstrate various interesting biological activities in the human body. However, the role of certain metal ions for specific cell activities is still subject to debate. This study is aimed at comparing the thermochemical properties of neotame (artificial sweetener) and α, β-fructose in gas phase and water medium.

Efficacy and Safety of Ashwagandha (Withania somnifera) Root Extract in Insomnia and Anxiety: A Double-blind, Randomized, Placebo-controlled Study.

Introduction Insomnia is a prevalent sleep disorder that can profoundly impact a person's physical health and mental wellbeing. Most of the currently available drugs for insomnia exert adverse effects. Hence, alternative herbal therapies could be effective in treating insomnia.

Clustering of hepatitis C virus antibody positivity within households and communities in Punjab, India.

To better understand hepatitis C virus (HCV) epidemiology in Punjab state, India, we estimated the distribution of HCV antibody positivity (anti-HCV+) using a 2013-2014 HCV household seroprevalence survey. Household anti-HCV+ clustering was investigated (a) by individual-level multivariable logistic regression, and (b) comparing the observed frequency of households with multiple anti-HCV+ persons against the expected, simulated frequency assuming anti-HCV+ persons are randomly distributed. Village/ward-level clustering was investigated similarly.

Computational studies on the molecular insights of aptamer induced poly(N-isopropylacrylamide)-graft-graphene oxide for on/off- switchable whole-cell cancer diagnostics.

This work deals with first-principles and in silico studies of graphene oxide-based whole-cell selective aptamers for cancer diagnostics utilising a tunable-surface strategy. Herein, graphene oxide (GO) was constructed as a surface-based model with poly(N-isopropylacrylamide) (PNIPAM) covalently grafted as an "on/off"-switch in triggering interactions with the cancer-cell protein around its lower critical solution temperature. The atomic building blocks of the aptamer and the PNIPAM adsorbed onto the GO was investigated at the density functional theory (DFT) level.