Diversity-oriented synthesis and antifungal activities of novel pimprinine derivative bearing a 1,3,4-oxadiazole-5-thioether moiety

Molecular Diversity - Based on the strategy of diversity-oriented synthesis and the structures of natural product pimprinine and streptochlorin, two series of novel pimprinine derivatives...     

Synthesis and Crystal Structure of Ethyl 2-(6-(1,3-Dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-7-fluoro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl) Butanoate

The title compound ethyl 2-(6-(1,3-dioxo-4,5,6,7-tetrahydro-1H-isoindol-2(3H)-yl)-7-fluoro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl) butanoate 3 was synthesized by the reaction of ethyl 2-(6-amino-7-fluoro-3-oxo-2H-benzo[b][1,4]oxazin-4(3H)-yl) butanoate with 4,5,6,7-tetraydrophthalic anhydride,and its structure was determined by X-ray single-crystal diffraction.The crystal belongs to the monoclinic system,space group P21/n with a = 9.3469(2),b = 16.7715(5),c = 13.7153(4) ,β = 104.9680(10)°,μ = 0.107 mm-1,Mr = 430.42,V = 2077.08(10) 3,Z = 4,Dc = 1.376 g/cm3,F(000) = 904,T = 296(2) K,R = 0.0508 and wR = 0.1478.     

氢、氟原子边缘修饰β-GeSe纳米带的第一性原理研究

采用第一性原理计算方法研究了二维β相GeSe的电子结构,通过对二维单层β-GeSe剪切得到一维β-GeSe扶手椅型纳米带.研究不同带宽(N=1-5)β-GeSe扶手椅型纳米带的几何结构和电子性质,发现不同带宽纳米带能带带隙不同,带隙总体上随着带宽减小,而纳米带直接带隙半导体性质不受带宽影响.通过使用H、F原子对GeSe扶手椅型纳米带边缘修饰,H原子修饰纳米带导致能带类型从直接带隙向间接带隙的转变.在费米能级附近处F原子各轨道对价带和导带贡献比H原子各轨道贡献多,在边缘修饰中纳米带对F原子更加敏感.未修饰和使用H原子修饰纳米带在可见光范围内没有吸收峰,用F原子修饰纳米带在可见光范围内出现吸收峰.研究表明可以通过边缘修饰调控纳米带光学特性.     

清除试剂在液相组合化学中的应用

综述了近年来清除试剂在液相组合化学中的应用，并介绍了一些采用清除试剂对液相化合物库进行分离和纯化的实例。对清除试剂进行了分类，各类清除试剂参与的液相反应以及被清除的非目标产物类型也作了相应的介绍。     

新型含硫(氧)肟醚衍生物的合成、杀虫活性及其结构活性关系研究

通过1-芳基含硫(氧)酮肟与相应的拟除虫菊醇卤化物在氢氧化钠和相转移催化剂条件下反应或1-芳基含硫(氧)酮肟与相应的拟除虫菊醇卤化物的三乙基季胺盐在氢氧化钠条件下反应, 合成了1-芳基含硫(氧)酮O-苄基肟醚C1～C96共96个化合物. 它们的结构经质谱, 1H NMR, IR和元素分析确证. 生物活性测定结果表明, 该类化合物对鳞翅目和同翅目害虫表现出显著活性, C74和C93对粘虫、叶蝉的活性[LC50/(mg•L－1)]分别为1.4, 0.63和0.31, 1.2. 优于对照药氰戊菊酯.     

双稀土氧化物LnEuO3的Mossbauer效应研究

 本文首次利用高温高压方法合成了双稀土氧化物LaEuO₃、PrEuO₃、NdEuO₃和SmEuO₃。此外，还合成了CeEuO_3.5。X射线衍射分析表明LaEuO₃属A型（六方）结构，PrEuO₃、NdEuO₃和SmEuO₃属B型（单斜）结构，CeEuO_3.5属F型（萤石）结构。室温下用¹⁵¹Eu的21.6 eV γ射线测量了它们的Mossbauer谱，观察到了¹⁵¹Eu同质异能移位和四极劈裂强烈地依赖于Eu离子配位体体积而呈线性关系。超精细相互作用的这种体积效应，主要原因是由于Eu离子5s壳层的重叠畸变所引起。     

Analysis of modified nucleosides in the urine of patients with malignant cancer by liquid chromatography/electrospray ionization mass spectrometry

As modified nucleosides reflect altered tRNA turnover which seems to be impaired in the body of cancer patients, they have been evaluated as potential tumor markers. High-performance liquid chromatography/electrosprary ionization quadrupole time-of-flight mass spectrometry (HPLC/ESI-Q-TOFMS) was used to identify nucleosides purified from urine in positive ionization mode. Potential nucleosides were assessed by their evident UV absorbance in HPLC and then further examined by mass spectrometric techniques. In this manner, 21 nucleosides were detected in the urine of a patient with lymphoid cancer including three modified nucleosides 5'-dehydro-2-deoxyinosine, N1,N2,N7-trimethylguanosine and N1-methyl-N2-ethylguanosine, which had never been reported previously.     

Investigation of a method to calculate spontaneous radiation spectra from relativistic electrons in undulators

Undulators are key devices to produce brilliant synchrotron radiation at the synchrotron radiation facilities. In this paper we present a numerical computing method, including the computing program that has been developed to calculate the spontaneous radiation emitted from relativistic electrons in undulators by simulating the electrons＇ trajectory. The effects of electron beam emittance and energy spread have also been taken into account. Comparing with other computing methods available at present, this method has a few advantages with respect to several aspects. It can adopt any measured or arbitrarily simulated 3D magnetic field and arbitrary electron beam pattern for the calculation and it＇s able to analyze undulators of any type of magnetic structure. It＇s expected to predict precisely the practical radiation spectrum. The calculation results of a short period in-vacuum undulator and an Elliptically Polarized Undulator （EPU） at Shanghai Synchrotron Radiation Facility （SSRF） are presented as examples.     

Investigation of a method to calculate spontaneous radiation spectra from relativistic electrons in undulators

Undulators are key devices to produce brilliant synchrotron radiation at the synchrotron radiation facilities.In this paper we present a numerical computing method,including the computing program that has been developed to calculate the spontaneous radiation emitted from relativistic electrons in undulators by simulating the electrons' trajectory.The effects of electron beam emittance and energy spread have also been taken into account.Comparing with other computing methods available at present,this method has a few advantages with respect to several aspects.It can adopt any measured or arbitrarily simulated 3D magnetic field and arbitrary electron beam pattern for the calculation and it's able to analyze undulators of any type of magnetic structure.It's expected to predict precisely the practical radiation spectrum.The calculation results of a short period in-vacuum undulator and an EllipticaUy Polarized Undulator (EPU) at Shanghai Synchrotron Radiation Facility (SSRF) are presented as examples.     

阳极电势对Geobacter sulfurreducens产电性能的影响

以产电模式菌Geobacter sulfurreducens为研究对象接种两瓶型微生物燃料电池(MFC)阳极室, 利用恒电位仪控制阳极电势, 考察了7种电势条件下MFC的启动期、最大功率密度和阳极生物量的变化情况. 研究结果表明, 当阳极电势为-250, -100和50 mV(vs. SCE)时, MFC启动较快, CV曲线和极化曲线表明, 在这3种电势条件下, MFC产电性能增强, 其中阳极电势为-100 mV时, MFC最大功率密度为1.67 W/m³, 比固定外阻条件下启动的MFC最大功率密度提高了5倍. 控制合适的阳极电势可以使阳极生物量提高2.5~3倍.