Hypergeometric approach to Apéry-like series

By reformulating four hypergeometric series formulae, we derive 36 Apéry-like series expressions for the Riemann zeta function, including a couple of identities conjectured by Sun [New series for some special values of L-functions. Nanjing Univ J Math. 2015;32(2): 189–218].     

Panel‐based stratified cluster sampling and analysis for photovoltaic outdoor measurements

We study a stratified multisite cluster‐sampling panel time series approach in order to analyse and evaluate the quality and reliability of produced items, motivated by the problem to sample and analyse multisite outdoor measurements from photovoltaic systems. The specific stratified sampling in spatial clusters reduces sampling costs and allows for heterogeneity as well as for the analysis of spatial correlations due to defects and damages that tend to occur in clusters. The analysis is based on weighted least squares using data‐dependent weights. We show that this does not affect consistency and asymptotic normality of the least squares estimator under the proposed sampling design under general conditions. The estimation of the relevant variance–covariance matrices is discussed in detail for various models including nested designs and random effects. The strata corresponding to damages or manufacturers are modelled via a quality feature by means of a threshold approach. The analysis of outdoor electroluminescence images shows that spatial correlations and local clusters may arise in such photovoltaic data. Further, relevant statistics such as the mean pixel intensity cannot be assumed to follow a Gaussian law. We investigate the proposed inferential tools in detail by simulations in order to assess the influence of spatial cluster correlations and serial correlations on the test's size and power. ©2016 The Authors. Applied Stochastic Models in Business and Industry published by John Wiley & Sons, Ltd.     

In silico study of novel niclosamide derivatives,SARS-CoV-2 nonstructural proteins catalytic residue-targeting small molecules drug candidates

The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2)-mediated coronavirus disease 2019 (COVID-19) infection remains a global pandemic and health emergency with overwhelming social and economic impacts throughout the world. Therapeutics for COVID-19 are limited to only remdesivir; therefore, there is a need for combined, multidisciplinary efforts to develop new therapeutic molecules and explore the effectiveness of existing drugs against SARS-CoV-2. In the present study, we reported eight (SCOV-L-02, SCOV-L-09, SCOV-L-10, SCOV-L-11, SCOV-L-15, SCOV-L-18, SCOV-L-22, and SCOV-L-23) novel structurally related small-molecule derivatives of niclosamide (SCOV-L series) for their targeting potential against angiotensin-converting enzyme-2 (ACE2), type II transmembrane serine protease (TMPRSS2), and SARS-COV-2 nonstructural proteins (NSPs) including NSP5 (3CLpro), NSP3 (PLpro), and RdRp. Our correlation analysis suggested that ACE2 and TMPRSS2 modulate host immune response via regulation of immune-infiltrating cells at the site of tissue/organs entries. In addition, we identified some TMPRSS2 and ACE2 microRNAs target regulatory networks in SARS-CoV-2 infection and thus open up a new window for microRNAs-based therapy for the treatment of SARS-CoV-2 infection. Our in vitro study revealed that with the exception of SCOV-L-11 and SCOV-L-23 which were non-active, the SCOV-L series exhibited strict antiproliferative activities and non-cytotoxic effects against ACE2- and TMPRSS2-expressing cells. Our molecular docking for the analysis of receptor-ligand interactions revealed that SCOV-L series demonstrated high ligand binding efficacies (at higher levels than clinical drugs) against the ACE2, TMPRSS2, and SARS-COV-2 NSPs. SCOV-L-18, SCOV-L-15, and SCOV-L-09 were particularly found to exhibit strong binding affinities with three key SARS-CoV-2’s proteins: 3CLpro, PLpro, and RdRp. These compounds bind to the several catalytic residues of the proteins, and satisfied the criteria of drug-like candidates, having good adsorption, distribution, metabolism, excretion, and toxicity (ADMET) pharmacokinetic profile. Altogether, the present study suggests the therapeutic potential of SCOV-L series for preventing and managing SARs-COV-2 infection and are currently under detailed investigation in our lab.     

Synthesis and characterization of new homologue multinary selenides,M2Sb5Bi5Se17 (M = Sn,Pb)

New quaternary selenides M₂Sb₅Bi₅Se₁₇ (M = Sn, Pb) were synthesized using solid-state sintering reactions that crystallize in the monoclinic system with C2/m (No. 12) space group with lattice parameters a = 27.914(7) Å, b = 4.0804(11) Å, c = 15.512(4) Å, and β = 114.881(9)° for M = Sn, and a = 27.987(3) Å, b = 4.1062(5) Å, c = 15.6372(19) Å, and β = 115.318(3)° for M = Pb, respectively. The crystal structure is related to a homologous series [A⁺²_2x−4B⁺³₄ Se⁻²_2x−2][B⁺³_2y−2Se⁻²_3y−3] with (x, y) = (3, 4) that contains building units of two-dimensional slabs of NaCl¹¹¹-type [Sb₂Bi₄Se₁₁] separated by 1D ribbons NaCl¹⁰⁰-type [Pb₂Sb₃BiSe₆]. The NaCl¹¹¹ unit contains edge-shared octahedra filled with Sb³⁺ and Bi³⁺ cations, which are parallel and overlapped to form a step-layer 2D network stacking alone [001]. The NaCl¹⁰⁰ type ribbons containing Pb²⁺ and Sb³⁺ in square or trigonal pyramidal environments with the general formula [M₆Se₆] filled in the space between 2D layers of NaCl¹¹¹ units. The conductivity measurement revealed semiconducting property with band gaps of ~0.1 eV. Pb₂Sb₅Bi₅Se₁₇ exhibits low thermal conductivity 3,000 μW cm⁻¹ K⁻¹ in a temperature range of 300–480 K.     

A statistical approach to characterize the viscoelastic creep compliances of a vinyl ester polymer

The objective of this study was to develop a model to predict the viscoelastic material functions of a vinyl ester (VE) polymer with variations in its experimentally obtained material properties under combined isothermal and mechanical loading. Short-term tensile creep experiments were conducted at three temperatures below the glass transition temperature of the VE polymer, with 10 replicates for each test configuration. The measured creep strain versus time responses were used to determine the creep compliances using the generalized viscoelastic constitutive equation with a Prony series representation. The variation in the creep compliances of a VE polymer was described by formulating the probability density functions (PDFs) and the corresponding cumulative distribution functions (CDFs) of the creep compliances using a two-parameter Weibull distribution. Both Weibull scale and shape parameters of the creep compliance distributions were shown to be time and temperature dependent. Two-dimensional quadratic Lagrange interpolation functions were used to characterize the Weibull parameters to obtain the PDFs and, subsequently, the CDFs of the creep compliances for the complete design temperature range during steady state creep. At each test temperature, creep compliance curves were obtained for constant CDF values and compared with the experimental data. The predicted creep compliances of the selected VE polymer in the design space are in good agreement with the experimental data for all three test temperatures.     

非等距时间序列的GM（1，N）模型及其在地下工程中的应用

文献〔１〕给出了等距时间序列的灰色预测ＧＭ（１，Ｎ）模型，本文把它推广到非等距时间序列，得到了相应模型，并应用于地下工程的几个实例     

Raman spectroscopy of alkali halide hydration: hydrogen bond relaxation and polarization

The solute–solvent interaction of salts has a striking impact on various biological and industrial processes but its mechanism remains yet mysterious despite intensive studies since 1888 when Franz Hofmeister established the salt series. A combination of confocal Raman spectroscopy and contact angle measurements has enabled us to resolve the hydrogen bond relaxation (O:H―O, HB) and the associated charge polarization dynamics at different molecular site because of alkali halides hydration. Results show consistently that salt hydration softens the O:H phonon but stiffens H―O phonon cooperatively. The extent of HB relaxation and polarization is proportional to the electronegativity difference and ionic radius, following the order of Hofmeister series: X (R/η) = I (2.2/2.5) > Br (1.96/2.8) > Cl (1.81/3.0) > F (1.33/4.0) ≈ 0 for anions, and Y(R/η) = Na (0.98/0.9) > K (1.33/0.8) > Rb (1.49/0.8) > Cs (1.65/0.8) for cations. Observations suggest that ions create each an electric field that aligns, stretches, and polarizes water molecules, which relaxes the O:H―O bond cooperatively, depresses the molecular dynamics, and enhances the hydration shell viscosity and the skin stress. Exercises also demonstrate that Raman spectroscopy performs as a powerful tool for probing the molecular‐site‐resolved HB network relaxation dynamics in terms of phonon stiffness, molecular fluctuation dynamics, and phonon abundance transition under external stimulus. Copyright © 2016 John Wiley & Sons, Ltd.     

Plane Collision Problem for Two Identical Elastic Parabolic Bodies—Direct Central Impact

A direct central collision of two identical infinite cylindrical bodies is studied. A nonstationary plane elastic problem is solved. The variable boundary of the contact area is determined. A mixed boundary problem is formulated. Its solution is represented by Fourier series. An infinite system of Volterra equations of the second kind for the unknown expansion coefficients is derived by satisfying boundary conditions. The basic characteristics of the collision process are determined numerically depending on the curvature of the frontal surface of the bodies