Solution-phase parallel synthesis of a pyridinium pyrazol-3-olate inner salt library using a three-component reaction

We present here the discovery of a novel, versatile, multicomponent reaction leading to various 4-[4-(pyridinium-1-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-2H-pyrazol-3-olate inner salts. The structure of the unusual zwitterionic inner salts was elucidated, and the scope of the novel reaction was investigated. After rapid optimization, the reaction was adapted to parallel synthesis, and an 800-membered compound library was produced.     

Synthesis and application of a fluorous Lawesson's reagent: convenient chromatography-free product purification

[reaction: see text] A fluorous analogue of Lawesson's reagent for thionation of carbonyl compounds has been developed and its use demonstrated on a series of amides, esters, and ketones. The separation of the Lawesson's reagent-derived byproducts can be achieved by a simple fluorous solid-phase extraction.     

基于惩罚与补贴的再制造闭环供应链网络均衡模型

为研究我国废旧电子产品(WEEE)立法的问题,分析了供应商、制造商、零售商、需求市场及回收商的行为,分别建立了变分不等式模型,并在此基础上建立了五级再制造闭环供应链网络均衡模型。模型考虑了政府对于制造商的惩罚政策与对于回收商的补贴政策。通过修正投影算法求解算例,仿真分析了旧材料转化率、回收率、惩罚及补贴政策对闭环供应链网络均衡结果的影响。结果表明,随着政府对于回收商的补贴的增加,不但回收商的回收量提高,闭环供应链的新材料需求量、旧材料需求量、销售量均增加;相反,随着政府对于制造商未完成的回收量的罚款增加,回收量、新材料需求量、旧材料需求量、销售量均降低;追求高回收率的政策并不总是有效的;而提高WEEE的旧材料转化率对于闭环供应链有利。     

A modified approach to team-based learning in linear algebra courses

This paper documents the author’s adaptation of team-based learning (TBL), an active learning pedagogy developed by Larry Michaelsen and others, in the linear algebra classroom. The paper discusses the standard components of TBL and the necessary changes to those components for the needs of the course in question. There is also an empirically controlled analysis of the effects of TBL on the student learning experience in the first year of TBL use.     

A commonly used spin label: S‐(2,2,5,5‐tetramethyl‐1‐oxyl‐Δ3‐pyrrolin‐3‐ylmethyl) methanethiosulfonate

The title compound, C₁₀H₁₈NO₃S₂, which finds application as a spin label, has triclinic (P) symmetry at 100 (2) K with two independent molecules in the asymmetric unit. Both molecules are very similar with respect to bond lengths and angles, but molecule 2 shows disordering of its side chain. The pyrroline rings differ slightly with respect to the position of the NO group, which in both cases are sterically shielded by the surrounding methyl groups. The crystal structure of the title compound represents the first example of a 2,2,5,5‐tetramethyl‐1‐oxyl‐Δ³‐pyrroline derivative with a side chain at the double bond which is linked to it through an sp³‐hybridized C atom. In the solid state, the side chain adopts a conformation with the methyl group above/below the pyrroline ring and a H atom directed towards a C atom of the double bond. The disordered side chain of molecule 2 represents a second conformation with low potential energy. Both molecules exhibit planar chirality, but in the solid state both pairs of stereoisomers are present. These four stereoisomers are stacked one behind the other in four different columns, denoted A, A′, B and B′, the angle between the vectors of the N—O bonds in columns A and B being 80.38 (8)°.     

Double Yielding in a Styrene/Butadiene Star Block Copolymer

Summary: The morphology and tensile deformation behaviour of a highly asymmetric styrene/butadiene star block copolymer (polystyrene (PS) content = 74%) containing random PS‐co‐PB (polybutadiene) copolymer as a rubbery phase were investigated. The existence of double yielding, similar to that observed in some semicrystalline polymers, was detected in this nanostructured amorphous polymer. The observed phenomenon may be correlated with two different micromechanical processes taking place at the initial stage of deformation.

The stress‐strain curve of the star block copolymer prepared here (each curve represents a different method). The two yield points are clearly visible (labelled I and II).     

Estimating rate constants in a convection-diffusion system with a boundary reaction

While performing biomolecular interaction analysis (BIA), scientistsoften use surface plasmon resonance (SPR) to measure rate constantsof the associated reactions. A mathematical model of a BIAcore^TM,a common SPR device, consists of a convection-diffusion equationin a channel with a reacting surface at the channel ceiling.Asymptotic and singular perturbation techniques are used toanalyse the concentration of the reacting species in two cases:when the reaction occurs much more slowly than diffusion, andwhen the reaction occurs on the same time-scale as diffusion.Linear and nonlinear integral equations result from the analysis;explicit and asymptotic solutions are constructed for physicallyrealizable cases. These expressions provide a direct way toestimate the rate constants from raw data.     

一种新型四硫富瓦烯衍生物的合成与表征

以二硫化碳和金属钠为基础物质合成了四硫富瓦烯（TTF）锌的配合物（TTF）Zn（NBu4）2。利用该化合物与苯甲酰氯反应得到的稳定化合物C17H10O2S5在甲醇钠溶液中与2,3-二溴丙醇反应成功合成出目标化合物（一种新配体）,其化学组成为C6H6OS5。利用IR谱、^1HNMR谱及元素分析对此化合物进行了表征。     

新大线同沟敷设热力分析

针对新大线同沟敷设管道,采用非结构化有限容积法,分析了不同的物性条件下,常温输送原油对加热输送原油的热力影响.