氯铝酸室温离子液体介质中正碳十二烯选择环化反应

 在氯化1－丙基－3－甲基咪唑（PMImCl）、氯化1－丁基－3－甲\r\n基咪唑（BMImCl）、氯化1－丁基吡啶（BPCl）和溴化1－乙基吡啶（E\r\nPBr）季铵盐与AlCl3构成的室温离子液体介质中，首次发现正十二碳烯\r\n（简称十二烯）可以高选择性地发生环化反应生成环十二烷．依次在反\r\n应管中加入氯铝酸室温离子液体、乙醇和十二烯，其中AlCl3的量为0．\r\n01mol，AlCl3与季铵盐的摩尔比为2，乙醇为10ml，十二烯为2ml（9．\r\n3mmol）．当反应体系中不添加乙醇时，十二烯转化率和环十二烷选择\r\n性仅分别为4．2％和73．1％．这是由于十二烯和氯铝酸离子液体形成\r\n两相体系而不易充分接触，故十二烯转化率和环十二烷选择性较低．当\r\n反应体系中加入乙醇时，十二烯和氯铝酸离子液体体系变为单相，使得\r\n十二烯和氯铝酸离子液体可以充分接触，十二烯转化率和环十二烷选择\r\n性可分别达到12．4％和82．9％．压力对提高十二烯转化率和环十二烷\r\n选择性有很大的影响．p（N2）＝3．0～6．0MPa下反应12h，十二烯转\r\n化率和环十二烷选择性可分别达到27．2％和93．8％．反应结束后加热\r\n除去乙醇，产物自动与离子液体分层，便于分离，且离子液体介质可重\r\n复使用．     

The Surface Imprinted Polystyrene Beads Prepared via Emulsion Templates

In this paper, the surface imprinted cross-linked polystyrene beads were prepared via suspension polymerization with styrene (St), divinylbezene (DVB), polyvinyl alcohol (PVA1788),the mixture of Span 85 and xylene or the mixture of Span 85 and paraffin as monomer,cross-linking agent, dispersion stabilizer and templates, respectively. The results indicate that there are dense cavities on the surface of beads, and the diameter and density of cavity are related with the composition and amount of emulsion template. The forming mechanism of cavity from thermodynamics and dynamics was proposed.     

Resolution method for overlapping peaks based on the fractional-order differential

Equations between the differential order and the maximum of the fractional-order differential for the specified peak signals are developed based on the variation of the maximum of the specified peak signals at different orders. Also, equations between the differential order and the zero-crossing of the fractional-order differential of the specified peak signals are proposed according to the variation of the zero-crossing of the specified peak signals at different orders. Characteristic paramters of the Gaus- sian peak, Lorentzian peak, and Tsallis peak can be estimated using estimator I and estimator II which are obtained by the equations above. As a result, a new method is presented to resolve the overlapped peaks signal. Firstly, a fractional-order differential of the specified peak signals is obtained with the fractional-order differentiation filter. Then, characteristic paramters of the specified peak signals can be extracted using estimator I and estimator II. Finally, the Tsallis peak is used as a model to assign the overlapping peak signals correctly. Experimental results show that the proposed method is efficient and effective for the simulated overlapping peaks and detected overlapping voltammetric peak signals.     

Investigation of the behavior of arenediazonium salts with olefins in BmimPF6

The palladium-catalyzed reactions of olefins with arenediazonium salts in ionic liquids were investigated. For methyl acrylate and methyl acrylonitrile, normal Heck cross-coupling products are obtained in good yields. However, highly selective dimerization products are formed in excellent yields for styrenes. The catalyst system can be recycled.     

Overview: recent progress in three-dimensional atom probe instruments and applications.

Over the last few years there have been significant developments in the field of three-dimensional atom probe (3DAP) analysis. This article reviews some of the technical compromises that have led to different instrument designs and the recent improvements in performance. An instrument has now been developed, based around a novel reflectron configuration combining both energy compensation and focusing elements, that yields a large field of view and very high mass resolution. The use of laser pulsing in the 3DAP, together with developments in specimen preparation methods using a focused ion-beam instrument, have led to a significant widening in the range of materials science problems that can be addressed with the 3DAP. Recent studies of semiconductor materials and devices are described.     

离子交换树脂纯化酪蛋白磷酸肽研究

通过单因素实验和正交试验确定了使用D-201型大孔强碱性阴离子交换树脂纯化酪蛋白磷酸肽(CPPs)的操作条件为：洗脱温度40℃、洗脱酸(HCI)浓度0．2mol／L、洗脱速度2．3ml／min、进样浓度2％(w／v)，进一步应用HPSEC技术分析考察了离子交换树脂纯化后含磷洗脱峰分子量分布情况，并计算了产品氮磷比与纯化收率．     

PdH2、YH2分子的结构与势能函数

用密度泛函理论的B3LYP方法,对钯和钇原子采用SDD收缩价基函数,氢原子采用6-311＋＋G**全电子基函数,对PdH2和YH2体系的结构进行优化计算,得到PdH2分子最稳态为C2v构型,电子组态为1A1,平衡核间距RPdH=0.1692 nm,键角∠HPdH=29.4°,离解能De=5.5212 eV,基态简正振动频率:ν1(b2)=1470.1 cm－1、ν2(a1)=1007.9 cm－1、ν3(a1)=2907.0 cm－1.YH2分子最稳态也为C2v构型,电子组态2A1,RYH=0.1962 nm,∠HYH=114.3°,De=5.6691 eV,基态简正振动频率:ν1(b2)=1457.9 cm－1、ν2(a1)=476.0 cm－1、ν3(a1)=1506.3 cm－1.由微观过程的可逆性原理分析了分子的可能离解极限.并用多体项展式理论方法分别导出基态PdH2和YH2分子的势能函数,其等值势能面图准确地再现了PdH2和YH2分子的结构特征和离解能,由此讨论了Pd ＋ H2和Y ＋ H2分子反应的势能面静态特征.     

高分子玻璃化转变过程的分子动力学模拟本科教学实验

玻璃化转变是高分子专业教学中的重要内容,转变过程中自由体积的变化和分子链段的运动是理解玻璃化转变的难点。在计算机上使用分子模拟的方法得到三维的可视化图形,可以更直观地观察到自由体积和分子链的变化。提炼近年分子模拟技术在玻璃化转变研究中的最新科研成果,得到既有理论基础又适合本科教学的课程素材。分子模拟可以实现了仪器测试无法达到的超快速升降温,并与仪器测试得到的实验结果相对照,验证了普通实验很难验证的理论观点,从而拓展了本科实验的范围,达到了很好的教学效果。     

时间分辨脉冲光声量热法及其应用

光声量热法是一种研究快速光化学反应的新方法，已广泛应用于有机和有机金属化学中涉及自由基中间体以及生物体系中光诱导化学反应生成亚稳态物质的动力学和热力学性质的研究。本文介绍了光声量热的基本原理、实验装置和它在化学、生物体系中的应用。