Defects-engineered tailoring of tri-doped interlinked metal-free bifunctional catalyst with lower gibbs free energy of OER/HER intermediates for overall water splitting

Controllable tailoring of metal-free/carbon-based nanostructures tends an encouraging way to enhance the bifunctional activity of electrodes, but a great challenge owing to the sluggish kinetics of oxygen evolution reaction (OER) and hydrogen evolution reaction (HER). Herein, a facile tempted-defects assisted fractionation strategy is presented to synthesize N, S, and O tri-doped metal-free catalyst (DE-TDAP). Due to this effective tempted-defects and heteroatoms interlinking in DE-TDAP, it delivers the lowest overpotential toward both the OER (346 mV) and HER (154 mV) at 10 mA cm^?2. Remarkably, the DE-TDAP-electrode carries only a cell voltage of 1.81 V at 10 mA cm^?2 for overall water splitting and long-term stability. Considerably, the density functional theory (DFT) calculation exposes that the tailored-defects in tri-doped interlinking could enhance bifunctional catalytic performance devising from lower Gibbs free energy of OER/HER intermediates on active sites. This struggle henceforth provides a perceptive understanding of the synergetic principles of heteroatom-interlinking-tailoring nanostructures in water splitting.     

In Vitro Inhibitory Analysis of Rationally Designed siRNAs against MERS-CoV Replication in Huh7 Cells

MERS-CoV was identified for the first time in Jeddah, Saudi Arabia in 2012 in a hospitalized patient. This virus subsequently spread to 27 countries with a total of 939 deaths and 2586 confirmed cases and now has become a serious concern globally. Camels are well known for the transmission of the virus to the human population. In this report, we have discussed the prediction, designing, and evaluation of potential siRNA targeting the ORF1ab gene for the inhibition of MERS-CoV replication. The online software, siDirect 2.0 was used to predict and design the siRNAs, their secondary structure and their target accessibility. ORF1ab gene folding was performed by RNAxs and RNAfold software. A total of twenty-one siRNAs were selected from 462 siRNAs according to their scoring and specificity. siRNAs were evaluated in vitro for their cytotoxicity and antiviral efficacy in Huh7 cell line. No significant cytotoxicity was observed for all siRNAs in Huh7 cells. The in vitro study showed the inhibition of viral replication by three siRNAs. The data generated in this study provide preliminary and encouraging information to evaluate the siRNAs separately as well as in combination against MERS-CoV replication in other cell lines. The prediction of siRNAs using online software resulted in the filtration and selection of potential siRNAs with high accuracy and strength. This computational approach resulted in three effective siRNAs that can be taken further to in vivo animal studies and can be used to develop safe and effective antiviral therapies for other prevalent disease-causing viruses.     

A family of explicit linear six-step methods with vanished phase-lag and its first derivative

A family of explicit linear sixth algebraic order six-step methods with vanished phase-lag and its first derivative is obtained in this paper. The investigation of the above family of methods contains:

theoretical study of the new family of methods and

computational study of the new family of methods.

The theoretical study of the above mentioned family of methods contains:

1. the development of the method,
2. the computation of the local truncation error,
3. the comparative local truncation error analysis. The comparison is taken place between the new family of methods with the corresponding method with constant coefficients and
4. the stability analysis of the new family of methods. The stability analysis is taken place using test equation with different frequency than the frequency of the test equation used for the phase-lag analysis of the methods.

The application of the new family of linear six-step sixth algebraic order methods to the resonance problem of the one-dimensional time independent Schrödinger equation is used for the computational study of the new family of methods. The result of the above mentioned theoretical and computational investigation is that the new proposed family of linear explicit schemes are computationally and theoretically more effective than other well known methods for the approximate solution of the radial Schrödinger equation and related initial or boundary value problems with periodic and/or oscillating solutions.     

A family of ten-step methods with vanished phase-lag and its first derivative for the numerical solution of the Schrödinger equation

A family of high algebraic order ten-step methods is obtained in this paper. The new developed methods have vanished phase-lag (the first one) and phase-lag and its first derivative (the second one). We apply the new developed methods to the resonance problem of the radial Schrödinger equation. The efficiency of the new proposed methods is shown via error analysis and numerical applications.     

A new two stages tenth algebraic order symmetric six-step method with vanished phase-lag and its first and second derivatives for the solution of the radial Schrödinger equation and related problems

The presentation, development and analysis of a new two-stages tenth algebraic order symmetric six-step method is introduced, for the first time in the literature, in this paper. More specifically, we present the development of the new method (requesting the highest algebraic order and the elimination of the phase-lag and its first and second derivatives), the analysis (error analysis and stability and interval of periodicity analysis) and the evaluation of the new developed method comparing its efficiency with the efficiency of well known methods and very recently produced methods in the literature on the approximate solution of the resonance problem of the one dimensional (or radial) Schrödinger equation. From the developments achieved and the results presented, we prove that the new obtained method is most more effective than other well known or recently developed methods of the literature.