Identification of phytocompounds from Houttuynia cordata Thunb. as potential inhibitors for SARS-CoV-2 replication proteins through GC–MS/LC–MS characterization,molecular docking and molecular dynamics simulation

The COVID-19 pandemic caused by Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a massive viral disease outbreak of international concerns. The present study is mainly intended to identify the bioactive phytocompounds from traditional antiviral herb Houttuynia cordata Thunb. as potential inhibitors for three main replication proteins of SARS-CoV-2, namely Main protease (Mpro), Papain-Like protease (PLpro) and ADP ribose phosphatase (ADRP) which control the replication process. A total of 177 phytocompounds were characterized from H. cordata using GC–MS/LC–MS and they were docked against three SARS-CoV-2 proteins (receptors), namely Mpro, PLpro and ADRP using Epic, LigPrep and Glide module of Schrödinger suite 2020-3. During docking studies, phytocompounds (ligand) 6-Hydroxyondansetron (A104) have demonstrated strong binding affinity toward receptors Mpro (PDB ID 6LU7) and PLpro (PDB ID 7JRN) with G-score of???7.274 and???5.672, respectively, while Quercitrin (A166) also showed strong binding affinity toward ADRP (PDB ID 6W02) with G-score -6.788. Molecular Dynamics Simulation (MDS) performed using Desmond module of Schrödinger suite 2020–3 has demonstrated better stability in the ligand–receptor complexes A104-6LU7 and A166-6W02 within 100 ns than the A104-7JRN complex. The ADME-Tox study performed using SwissADMEserver for pharmacokinetics of the selected phytocompounds 6-Hydroxyondansetron (A104) and Quercitrin (A166) demonstrated that 6-Hydroxyondansetron passes all the required drug discovery rules which can potentially inhibit Mpro and PLpro of SARS-CoV-2 without causing toxicity while Quercitrin demonstrated less drug-like properties but also demonstrated as potential inhibitor for ADRP. Present findings confer opportunities for 6-Hydroxyondansetron and Quercitrin to be developed as new therapeutic drug against COVID-19.

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Special John-Nirenberg-Campanato spaces via congruent cubes

Let p ∈ [1, ∞), q ∈ [1, ∞), α∈ R, and s be a non-negative integer. Inspired by the space JNp introduced by John and Nirenberg(1961) and the space B introduced by Bourgain et al.(2015), we introduce a special John-Nirenberg-Campanato space JN^con_(p,q,s) over Rⁿ or a given cube of R;with finite side length via congruent subcubes, which are of some amalgam features. The limit space of such spaces as p →∞ is just the Campanato space which coincides with the space BMO(the space of functions with bounded mean oscillations)when α = 0. Moreover, a vanishing subspace of this new space is introduced, and its equivalent characterization is established as well, which is a counterpart of the known characterization for the classical space VMO(the space of functions with vanishing mean oscillations) over Rⁿ or a given cube of Rⁿ with finite side length.Furthermore, some VMO-H¹-BMO-type results for this new space are also obtained, which are based on the aforementioned vanishing subspaces and the Hardy-type space defined via congruent cubes in this article. The geometrical properties of both the Euclidean space via its dyadic system and congruent cubes play a key role in the proofs of all these results.     

A posteriori error analysis of a quadratic finite volume method for nonlinear elliptic problems

In this article, we construct and analyze a residual-based a posteriori error estimator for a quadratic finite volume method (FVM) for solving nonlinear elliptic partial differential equations with homogeneous Dirichlet boundary conditions. We shall prove that the a posteriori error estimator yields the global upper and local lower bounds for the norm error of the FVM. So that the a posteriori error estimator is equivalent to the true error in a certain sense. Numerical experiments are performed to illustrate the theoretical results.     

Preparation and gas sensing activity of La and Y co-doped titania nanoparticles

Journal of Sol-Gel Science and Technology - A novel gas sensing material, La–Y co-doped TiO2 nanoparticles, was synthesized by sol–gel method and applied to detect organic pollutants...     

深水铺管船的动力定位能力评估系统

为解决评估铺管船作业能力的难题,提出一种适用于评估铺管船动力定位能力的方法,开发了动力定位能力评估程序系统,并针对高海况环境条件设计了优化的辅助作业方案.采用数值计算方法对铺管船作业期间的平均二阶力、风载荷以及流载荷进行仿真计算,建立了环境载荷与动力定位系统提供的推力之间的平衡关系,给出了用于评估铺管船动力定位能力的系统模块,采用动力定位能力包络线的方式表达动力评估结果.在高海况作业中给出安全建议,即采用辅助拖轮作用于船舶适当位置以增强动力定位能力,从而降低工程作业风险.     

时标轴上二阶Dirichlet边值问题的弱解（英文）

采用变分方法和临界点理论研究一个时标轴上二阶Dirichlet边值问题弱解的存在性.     

Characteristics of black carbon aerosol in Jiaxing,China during autumn 2013

We conducted measurements of black carbon（BC） aerosol in Jiaxing,China during autumn from September 26 to November 30,2013.We investigated temporal and diurnal variations of BC,and its correlations with meteorological parameters and other major pollutants.Results showed that hourly mass concentrations of BC ranged from 0.2 to 22.0 μg/m³,with an average of 5.1 μg/m³.The diurnai variation of BC exhibited a bimodal distribution,with peaks at 07:00 and 18:00.The morning peak was larger than the evening peak.The mass percentages of BC in PM_2.5 and PM₁₀ were 7.1%and 4.8%,respectively.The absorption coefficient of BC was calculated to be 44.4 Mm^-1,which accounted for 11.1%of the total aerosol extinction.BC was mainly emitted from local sources in southwestern Jiaxing where BC concentrations were generally greater than 11 μg/m³ during the measurement period.Correlation analysis indicated that the main sources of BC were motor vehicle exhaust,and domestic and industrial combustion.