Pyrochlore-like Local Structure in Globally Disordered YZrO: Evidence and Reasoning by Combined Theoretical and Experimental Study.

Even though technological relevance for nuclear and oxide fuel cell application has persuaded a large number of investigations on the YZrO system, its local structure still remains ambiguous and debatable. While diffraction-based investigations claim a lack of local ordering, the MAS NMR and Raman spectroscopic investigations speculate the presence of local ordering. Besides, a correlation between the local and global structures of YZrO is also missing to date.

Evolution of the atomic and electronic structures of CuO clusters: a comprehensive study using the DFT approach.

One of the most fundamental aspects of cluster science is to understand the structural evolution at the atomic scale. In this connection, here we report a comprehensive study of the atomic and electronic structures of (CuO) clusters for = 1 to 12 using DFT-based formalisms. Both the plane wave-based pseudo-potential approach and LCAO-MO-based method have been employed to obtain the ground state geometries of neutral, cation and anion copper oxide clusters.

Adsorption and dehydrogenation of ammonia on Ru, Cu and Ru@Cu nanoclusters: role of single atom alloy catalyst.

Hydrogen production by the catalytic decomposition of ammonia (NH) is an important process for several important applications, which include energy production and environment-related issues. The role of single Ru-atom substitution in a Cu nanocluster (NC) has been illustrated using the NH decomposition reaction as a model system. The structural stability of Ru@Cu NC has been evaluated using Ru and Cu NCs for comparison.

Bicyclic (alkyl)(amino)carbene (BICAAC)-supported phosphinidenes.

Herein, the synthesis and characterization of bicyclic (alkyl)(amino)carbene (BICAAC)-stabilized phosphinidenes (1-4) are reported. Compounds 1-3 were obtained by reacting trihalophosphine [PX, X = Cl (1), Br (2), I (3)] with BICAAC in THF. A BICAAC-stabilized bis-phosphinidene (4) was obtained from the reduction of compound 2.

Sustainability of the effect of optical intervention on the reading performance of children with dyslexia.

Background: Dyslexia is a learning disability associated with reading difficulties in children. Due to the potential of poor school outcomes interventions have been employed to help students with dyslexia read. This study was aimed at identifying the sustainability of the effect of combined Visual Tracking Magnifier (VTM) and Ministry of Education (MOE) interventions and MOE intervention alone on the reading performance of school children with dyslexia after discontinuation of intervention.

Phenolic Phytochemicals for Prevention and Treatment of Colorectal Cancer: A Critical Evaluation of In Vivo Studies.

Colorectal cancer (CRC) is the third most diagnosed and second leading cause of cancer-related death worldwide. Limitations with existing treatment regimens have demanded the search for better treatment options. Different phytochemicals with promising anti-CRC activities have been reported, with the molecular mechanism of actions still emerging.

CO hydrogenation to formic acid on Pd-Cu nanoclusters: a DFT study.

Carbon dioxide (CO) hydrogenation to formic acid is a promising method for the conversion of CO to useful organic products. The interaction of CO with hydrogen (H) on PdCu ( + = 4, 8 and 13) clusters to form formic acid (HCOOH) has been explored using density functional theoretical (DFT) calculations. PdCu, PdCu and 13-atom PdCu clusters are found to be the most stable among all of the PdCu ( + = 4, 8 and 13) clusters with binding energies of -1.

IL-13 and the hydroperoxy fatty acid 13(S)HpODE play crucial role in inducing an apoptotic pathway in cancer cells involving MAO-A/ROS/p53/p21 signaling axis.

This study depicted the effect of IL-13 and 13(S)HpODE (the endogenous product during IL-13 activation) in the process of cancer cell apoptosis. We examined the role of both IL-13 and 13(S)HpODE in mediating apoptotic pathway in three different in vitro cellular models namely A549 lung cancer, HCT116 colorectal cancer and CCF52 GBM cells. Our data showed that IL-13 promotes apoptosis of A549 lung carcinoma cells through the involvement of 15-LO, PPARγ and MAO-A.

Correction to Estimation of Gas Holdup Using the Gassed to Ungassed Power Ratio of an Oxygen-Water System in a Stirred and Sparged Tank Contactor.

[This corrects the article DOI: 10.1021/acsomega.0c02292.

Distribution of refractive error among chinese primary school children in a rural area in Pahang, Malaysia.

Purpose: This study aimed to determine the prevalence and status of refractive error among Chinese primary school children in a rural area in Pahang.

Methods: This investigation entailed a cross-sectional retrospective study design involving case file analyses. The study site was a Chinese medium primary school in a rural locality within Bentong district.

Characteristics of eye injuries, medical cost and return-to-work status among industrial workers: a retrospective study.

Objective: The aim of this study is to determine the characteristics of eye injuries, medical costs and return-to-work status among industrial workers to provide better vision rehabilitative services.

Setting: Nationwide data from the Social Security Organisation (SOCSO) of Malaysia.

Participants: A stratified random sample of workers registered with the SOCSO of Malaysia with documentation of eye injury.

Low-temperature synthesis of functionalized activated carbon from blackboard (Alstonia scholaris) with improved selectivity for 2-methylpyridine removal: batch and column analyses.

Coal tar industry has been reported to discharge 2-methylpyridine (2Mp) in concentrations up to 150 mg L. For removal of 2Mp, activated carbon was synthesized from blackboard tree ground bark (BA) by the novel technique of prior cooling (which helped decrease heat generation and volatile gas emission). The material was successfully functionalized with carboxylic group which enhanced 2Mp uptake.

Alkaloid-rich fraction of Ervatamia coronaria sensitizes colorectal cancer through modulating AMPK and mTOR signalling pathways.

Ethnopharmacological Relevance: Ervatamia coronaria, a popular garden plant in India and some other parts of the world is known traditionally for its anti-inflammatory and anti-cancer properties. The molecular bases of these functions remain poorly understood.

Aim Of The Study: Efficacies of the existing therapies for colorectal cancer (CRC) are limited by their life-threatening side effects and unaffordability.

Andrographolide upregulates protein quality control mechanisms in cell and mouse through upregulation of mTORC1 function.

Background: Heat shock response (HSR), a component of cellular protein quality control mechanisms, is defective in different neurodegenerative conditions such as Parkinson's disease (PD). Forced upregulation of heat shock factor 1 (HSF1), an HSR master regulator, showed therapeutic promise in PD models. Many of the reported small-molecule HSF1 activators have limited functions.

Probing Kinetics and Mechanism of Formation of Mixed Metallic Nanoparticles in a Polymer Membrane by Galvanic Replacement between Two Immiscible Metals: Case Study of Nickel/Silver Nanoparticle Synthesis.

Galvanic replacement between metals has received notable research interest for the synthesis of heterometallic nanostructures. The growth pattern of the nanostructures depends on several factors such as extent of lattice mismatch, adhesive interaction between the metals, cohesive forces of the individual metals, etc. Due to the difficulties in probing ultrafast kinetics of the galvanic replacement reaction and particle growth in solution, real-time mechanistic investigations are often limited.

Half metallicity and ferromagnetism of vanadium nitride nanoribbons: a first-principles study.

Half metallic materials with intrinsic ferromagnetism are identified as the pillar of next generation spintronic devices. In search of new low-dimensional materials with these excellent properties, herein we systematically study the electronic and magnetic properties of edge dependent (armchair (ac) and zigzag (zz)) vanadium nitride nanoribbons (VNNRs) using density functional theory (DFT) based calculations. Both the ac and zz VNNRs show robust ferromagnetism and extensive half-metallicity with large band gaps (3.

Estimation of Gas Holdup Using the Gassed to Ungassed Power Ratio of an Oxygen-Water System in a Stirred and Sparged Tank Contactor.

Gas holdup (ε) and power correlations in gas-liquid (G-L) systems, apart from the physicochemical properties of the liquid phase, are dependent on impeller-sparger-vessel geometry. To date, reported correlations do not specifically address this issue, and it must be investigated with a unified approach. Here, we propose a correlation via the use of a normalized ε that involves the impeller-sparger system geometry for a vessel of standard geometry expressed as a function of an easily measurable and independent operational parameter, that is, (1 - / ), where / is the gassed to ungassed power ratio.

Why Do Relative Intensities of Charge Transfer and Intra-4f Transitions of Eu Ion Invert in Yttrium Germanate Hosts? Unravelling the Underlying Intricacies from Experimental and Theoretical Investigations.

The dominant intensity of parity-forbidden intra- transitions of europium(III) over O → Eu charge-transfer band (CTB) intensity is against common perceptions, yet this trend is observed in many germanate hosts and has not been rationalized so far. In search of a plausible explanation for this unusual trend, present work reports an experimental and theoretical investigations in conjunction on two sibling germanate host, namely, YGeO and YGeO having dopant Eu in their respective YO polyhedra. Whereas for YGeO:Eu, the CTB is more intense than the intra- transitions in the excitation spectrum, in the case of YGeO:Eu, the relative intensities of CTB and intra- transitions are reversed.

Amplitude of Accommodation among Students of a Malaysian Private University as Assessed Using Subjective and Objective Techniques.

Purpose: The purpose of the study was to establish baseline data for amplitude of accommodation (AA) measured using both subjective and objective techniques in students at a private Malaysian university.

Methods: This cross-sectional study was conducted including 34 healthy participants with a mean age of 22.26 ± 1.

Tuning of electron tunneling: a case study using BODIPY molecular layers.

Redox active π-conjugated organic molecules have shown the potential to be used as electronic components such as diode and memory elements. Here, we demonstrate that using simple surface chemistry, rectification characteristics can be tuned to reproducible negative differential resistance (NDR) with a very high peak-to-valley ratio (PVR) up to 1000 in 2,6-diethyl-4,4-difluoro-1,3,5,7,8-pentamethyl-4-bora-3a,4a-diaza-s-indecene (BODIPY) grafted on Si. The change in properties is related to oxidation and reduction of BODIPY, which results in the change in resonant to non-resonant tunneling of electrons under bias.

Does the chromagen blue filter lens affect the reading speed, accuracy and contrast sensitivity.

Purpose: To determine the effects of ChromaGen blue filter lens in reading speed, accuracy and contrast sensitivity.

Methods: A cross-over, randomised study was carried out on 40 individuals (11 males and 29 females) aged 21 to 30 years. The rate of reading and reading accuracy was calculated with and without ChromaGen blue filter lens in all subjects.

Single atom alloy catalyst for SO decomposition: enhancement of platinum catalyst's performance by Ag atom embedding.

Recently, single atom alloy catalysts (SAA) have shown improved catalytic activity in numerous catalytic reactions. However, to date, single atom alloy (SAA) catalyst is not available for SO3 decomposition reaction, which is a key reactions in the hydrogen economy. Using state of the art density functional theory, we report a novel single Ag atom alloy Pt catalyst in the sub-nanometer length scale (AgPt9@Al2O3) showing superior catalytic behavior for SO3 decomposition.

Synthesis of multilayered structure of nano-dimensional silica glass/reduced graphene oxide for advanced electrochemical applications.

During the past few years, intensive research has been carried out to design new functional materials for superior electrochemical applications. Due to low storage capacity and low charge transport, silica based glasses have not yet been investigated for their supercapacitive behavior. Therefore, in the present study, a multilayered structure of silica-based nanoglass and reduced graphene oxide has been designed to remarkably enhance the specific capacitance by exploiting the porosity, large surface area, sufficient dangling bonds in the nanoglass and high electrical conductivity of rGO.

Bimetallic Ag-Pt Sub-nanometer Supported Clusters as Highly Efficient and Robust Oxidation Catalysts.

A combined experimental and theoretical investigation of Ag-Pt sub-nanometer clusters as heterogeneous catalysts in the CO→CO reaction (COox) is presented. Ag Pt and Ag Pt clusters are size-selected in the gas phase, deposited on an ultrathin amorphous alumina support, and tested as catalysts experimentally under realistic conditions and by first-principles simulations at realistic coverage. In situ GISAXS/TPRx demonstrates that the clusters do not sinter or deactivate even after prolonged exposure to reactants at high temperature, and present comparable, extremely high COox catalytic efficiency.