On the chemical constituents of Dipsacus asper

Bioassay-guided fractionation of 95% EtOH extract from the roots of Dipsacus asper lead to the isolation of some phenolic acids (caffeic acid, 2,6-dihydroxycinnamic acid, vanillic acid, 2'-O-caffeoyl-D-glucopyranoside ester, and caffeoylquinic acid) as the major active components, and five new iridoid glucoside dimers (1-5) and one new iridoid glucoside monomer (6), other known iridoid glycosides loganin, cantleyoside, triplostoside A, lisianthioside, 6'-O-beta-D-apiofuranosyl sweroside, as well as triterpenoids oleanic acid and akebiasaponin D. The structures of new compounds 1-6 were determined as dipsanosides C (1), D (2), E (3), F (4), G (5), and 3'-O-beta-D-glucopyranosyl sweroside (6) by spectroscopic, including 1D and 2D NMR techniques, and chemical methods.     

Synthesis and Crystal Structure of（E）-Ethyl 2-（5-（3-methyl-2-butenyloxy）-2-（3-（4-（3-methyl-2-butenyloxy）phenyl）acryloyl）phenoxy）acetate

The title compound,(E)-ethyl 2-(5-(3-methyl-2-butenyloxy)-2-(3-(4-(3-methyl-2-butenyloxy)phenyl) acryloyl) phenoxy)acetate(1),has been synthesized and characterized by FT-IR and 1H-NMR spectroscopy,ESI-MS,and X-ray single-crystal diffraction.FT-IR,1H-NMR and ESI-MS confirm the functional groups,particularly the ethyl groups in the ester moiety,of the compound.The single-crystal X-ray diffraction has revealed a monoclinic structure,space group P21/n with a = 14.6832(14),b = 7.7581(7),c = 23.075(2),β = 101.670(2)o,V = 2574.2(4) ?3,Z = 4,Dc = 1.235 g/cm,μ = 0.085 mm-1,and F(000) = 1024.The skeleton of chalcone in the molecular structure is coplanar.     

HOSO+NO反应的机理及动力学

在B3LYP/6-311++G(d,p)水平上研究了HOSO+NO的反应机理. 优化得到了反应势能面上各驻点的几何构型, 通过内禀反应坐标(IRC)确认了反应物、中间体、过渡态和产物的相关性. 在CCSD(T)/6-311++G(d,p)水平上对计算得到的构型进行了能量校正. 应用经典过渡态理论(TST)与变分过渡态理论(CVT), 并结合小曲率隧道(SCT)效应模型校正的方法计算了标题反应在200-3000 K温度范围内的速率常数k^TST、k^CVT和k^CVT/SCT. 计算结果表明: HOSO+NO反应在单重态和三重态条件下均可发生, 其中单重态反应为主反应通道, HNO+SO₂为主产物. 并利用电子密度拓扑分析方法研究主反应通道反应过程中的化学键变化.     

链接基团对固载手性Salen Mn(m)催化不对称环氧化反应的影响

制备了二胺和二酚修饰的晶态有机聚合物-无机杂化载体低聚苯乙烯基膦酸-膦酸氢锆(LCZSPP)轴向固载手性Salen Mn(Ⅲ)催化剂,将其应用于非官能烯烃的多相不对称环氧化反应.研究了两类轴向连接基团及助催化剂在催化不对称环氧化反应中的影响.结果表明,通过二胺为链接基团固载的催化剂在加入轴向助剂(NMO)的情况下,转化率和对映选择性都有较大提高.然而,与文献报道相反,二酚固载的催化剂在不添加轴向助剂的情况下,转化率和对映选择性都比添加轴向助剂有明显提高.此外,制备的固载催化剂可以很容易从反应体系中分离出来,并且在重复使用10次以上后,催化活性和对映选择性都没有明显的降低.     

一种六核笼状锂配合物的制备、结构及合成机理研究

由[PhN(SiMe₂(OMe))Li]₂与哌啶腈通过加成反应合成了1种新型六核笼状锂配合物3,该配合物晶体结构已经确定,并用¹H NMR和X-单晶衍射对配合物3进行结构表征,其晶体呈笼状结构且属于单斜晶系：P2₁/n,a=1.248 83(19) nm,b=1.402 7(2) nm,c=1.853 4(3) nm;β=95.894(2)°;V=3 229.5(8) nm³,Z=2,R₁=0.047 7,GOF=0.946。     

Fabrication and interfacial morphologies of methanol–melamine–formaldehyde (MMF) shell microPCMs/epoxy composites

Microcapsules containing phase change materials (microPCMs) have many potential applications because of their thermoregulation or thermosaving abilities. At the same time, it is still essential to understand the interface stability of microPCMs/polymer composites during a thermal transmission. The aim of this work was to fabricate novel microPCMs containing dodecanol by an in situ polymerization using methanol-modified melamine–formaldehyde (MMF) prepolymer as shell material and investigate the interface morphologies of microPCMs/epoxy composites treated by a simulant thermal process with a ten times repeated temperature variation. A series of microPCMs were fabricated by 1,000–3,000 r·min⁻¹ emulsion speed with the PCM contents of 40–70%. The average diameter, melting temperature, and encapsulation efficiency of microPCMs were 1–16 μm, 19.5 °C, and 97.4%, respectively. Tests results indicated that the properties of the microPCMs were greatly affected by core/shell ratios and emulsification stirring rates of preparation conditions. With the increasing of stirring rates, the average diameters of microPCMs were sharply decreased. The encapsulation efficiency (E _e) values of microPCMs increased with the increasing of stirring rates. The contents of PCM in microcapsules (C _t) and the average diameter of microPCMs both affected the interface morphologies of microPCMs/epoxy composites after the repeated thermal treatments. Microcracks and gaps occurred after a thermal treatment in the interface of microPCMs and epoxy matrix obviously. The internal stress generated by the expansion or shrinking of the microPCMs was the main factor leading to the interface morphology changes and damaged of composites.     

干涉成像光谱仪受卫星振动影响的仿真与分析

在干涉成像光谱仪扫描过程中,卫星姿态的不稳定性将严重影响光谱成像质量。针对该问题,在分析干涉成像光谱仪光谱成像退化机理的基础上提出了一种微分动态成像仿真方法,以此来模拟光谱成像退化过程。并提出了平均掺杂比的概念,通过它建立起卫星姿态俯仰、侧滚和偏航的运动参数与其对光谱成像影响之间的桥梁,详细推导了这两者之间的定量关系。以环境资源卫星提供的遥感数据为例进行了退化仿真,结果表明平台振动不仅影响光谱成像的空间分辨率,更会带来光谱失真,且相邻像元光谱差异较大的区域影响较大。通过仿真数据分析,对卫星姿态稳定精度提出了要求,给出了必须重视振动影响并需要采取相应补偿措施的姿态稳定度条件。     

相空间中对称的纠缠相干态及其非经典特性

研究相空间中对称的纠缠相干态, 通过引入正交基矢, 利用concurrence方法计算了纠缠度, 研究了它们的单、双模压缩以及反聚束效应. 数值计算表明, 相空间中对称的纠缠相干态与非经典效应之间存在着密切的联系. 关键词： 纠缠相干态 concurrence 非经典效应     

中红外高双折射高非线性宽带正常色散As2 S3光子晶体光纤

设计了一种中红外As₂S₃光子晶体光纤,利用多极法研究了这种光纤的双折射、色散和非线性特性.数值研究发现,该光纤在中红外波段λ = 3.625 μm处双折射B高达0.098;其x偏振方向的非线性系数γ_x达到了1.69 m^-1 ·W^-1, y偏振方向的非线性系数γ_y达到了0.78 m^{- 关键词： 光子晶体光纤 中红外波段 双折射 非线性}