Ferric chloride-promoted direct trifluoromethylselenolation of nitrogen-containing heterocyclic compounds by Se-(trifluoromethyl) 4-methylbenzenesulfonoselenoate in water

The ferric chloride-promoted direct trifluoromethylselenolation of indoles and other nitrogen-containing heterocyclic compounds in water was performed by employing TsSeCF₃ as a trifluoromethylselenolation reagent. The shelf-stable and readily accessible reagents, along with the environmentally friendly and mild reaction conditions make this method an effective alternative for the trifluoromethylselenolation of electron-rich aromatics.     

Effect of enrichment functions on GFEM solutions of time-dependent conduction heat transfer problems

This article investigates the effect of the selection of enrichment functions on the formulation of the Generalized Finite Element Method (GFEM) for the solutions of transient heat conduction problems. We present the study of an a-posteriori error estimate with the aim to show it as a reliable tool for the selection of enrichment functions to efficiently capture the sharp thermal gradients of the solutions. Problems in two- and three-dimensional domains are considered to demonstrate the robustness of the proposed error estimate. Numerical experiments consider two different types of enrichment functions that mimic the solution behaviour and capture the time-varying thermal gradients. The presented study shows that the error estimate is independent of the heuristically selected enrichment functions and can be used for any type of enrichment functions. It is concluded that the proposed error estimate efficiently reflects the errors in the GFEM solutions for both types of enrichment functions and can be used as an effective tool for the selection of more suitable enrichment functions that produce lower errors under the considered thermal conditions.     

Calibration of a 2D-CDB spectrometer using a reference 133Ba source

A procedure for calibrating a FAST-ComTec 2D-CDB spectrometer using a ¹³³Ba source is presented. The energy calibration consisted of acquiring two-dimensional (2D) spectra by measuring simultaneously with two HPGe detectors the 356 and 511 keV peaks. As the ¹³³Ba source only emits one photon per decay, the Ba contribution to the 2D spectra was built up by taking two successive and uncorrelated events, i.e. one from each detector (pseudo-coincidence technique). The FWHM of the spectrometer was estimated from the E₁=E₂ diagonal of the spectra.     

算子点态遍历定理

本文证明了关于Ｌ^P（１≤Ｐ≤∞）空间中线性算子与非线性算子的几个点态遍历定理，还推广了Ｙｏｓｉｄａ与ＫａＫｕｔａｎｉ关于拟紧算子的一致遍历定理。     

A superlinearly and quadratically convergent SQP type feasible method for constrained optimization

A new SQP type feasible method for inequality constrained optimization is presented, it is a combination of a master algorithm and an auxiliary algorithm which is taken only in finite iterations. The directions of the master algorithm are generated by only one quadratic programming, and its step-size is always one, the directions of the auxiliary algorithm are new “secondorder“ feasible descent. Under suitable assumptions, the algorithm is proved to possess global and strong convergence, superlinear and quadratic convergence.     

Identification optimale des propriétés thermophysiques d’un revêtement

The inverse problem of simultaneous estimation of diffusivity and effusivity of a coating is solved. It deals with: the experiment definition (pulsed photothermal method), the developpement of the corresponding parametrized direct model, the minimisation of the ordinary least squares objective function and the analysis of confidence of the estimated parameters. The optimal design of experiment, based on the analysis of the sensitivity coefficients of the direct model, enables to limit the noise amplification during inversion. Such a methodology has made a coating caracterisation possible, even if its thermophysical properties were close to those of Us substrate (chromium/steel).     

一类分层三角剖分下三次样条空间的维数

本文定义了平面单连通多边形域的一类较任意的三角剖分－分层三角剖分，并通过分析二元样条的积分协调条件，确定了分层三角剖分卜三次Ｃ^１作条函数空间的维数．     

Application of the retroaldol reaction to asymmetric synthesis: a new concept in organic syntheses

Aldol 5b, easily obtained from dihydrocarvone 6b, reacts with organolithium and Grignard reagents leading to enantiomerically enriched alcohols 8 (ee up to 35%). Thus, aldol 5b is a synthetic equivalent of benzaldehyde with a masked prochiral face.     

Cellulose nanofibre enabled natural rubber composites: Microstructure,curing behaviour and dynamic mechanical properties

Traditional rubber industries rely heavily on petroleum-based materials, such as carbon black (CB). The present study aims at mitigating the environmental challenges, through partial replacement of CB, while simultaneously consuming an easily accessible agricultural waste. Accordingly, cellulose nanofibre (CNF) was extracted from wheat-straw using chemo-mechanical process, which in-turn was used for fabrication of CNF enabled rubber nanocomposites. Microstructural observation of CNF confirmed nanometric defibrillation of cellulose. A variety of tests were performed on the nanocomposites towards exploring their structure-property correlations, curing-behaviour, thermal degradability and mechanical (static and dynamic) properties. Overall, considerable enhancement in properties such as tensile strength and strain energy density could be realized, owing to synergistic use of CNF and CB in rubber, allowing for replacement of up to 15 phr CB. These were further augmented by significant improvements in dynamic rolling-resistance, traction and stress-softening behaviour. The results were especially significant, considering that the improvements could be achieved without any modification of CNF surface, thereby establishing its potential for development of environment friendly rubber nanocomposites.     

Effects of clustering structure on volumetric properties of amino acids in (DMSO + water) mixtures

For a better understanding on the functions of DMSO in biological systems at a relatively lower concentration, apparent molar volumes of three typical amino acids, glycine, l-alanine and l-serine in (DMSO + water) mixtures were determined and the transfer volumes from water to the mixtures were evaluated. Together with static light scattering measurement, the results were utilised to reveal the microscopic solvent structure of (DMSO + water) mixtures and its influence on the interaction between DMSO and amino acids from a clustering point of view. The results demonstrate that the interaction between amino acids and DMSO is greatly related to the clustering structure of the mixed solvent and that amino acids interacted with already established solvent clusters. The linear dependence of transfer volume of amino acids on DMSO concentration up to 2.0 mol ⋅ dm⁻³ could be attributed to the increasing interaction with (DMSO)₁(H₂O)_n clusters. The formation of (DMSO)_m(H₂O)_n cluster via hydrophobic aggregating at higher DMSO concentration led to a decrease in hydrophobic effect of DMSO and its hydrophobic–hydrophilic and hydrophobic–hydrophobic interaction with amino acids. The structure change of solvent and the interaction between amino acid residues and DMSO was reflected by the solvation of proteins. It was found that dependence of hydrodynamic radius of bovine serum albumin and lysozyme on DMSO concentration was the same and similar to that of static light scattered by the mixed solvent, regardless of the difference in conformational change between the two proteins.