一种新型的地塞米松棕榈酸酯脂质体制剂及其对小鼠的抗炎作用研究

本文报道了一种新型的长循环脂质体地塞米松棕榈酸酯 (DPL long-circulating) 的药物运载系统。将磷脂和胆固醇通过薄膜分散-挤压法得到该DPL long-circulating。考察了该DPL long-circulating配方的稳定性。用老鼠实验来评价DPL long-circulating, DPL和DSP的抗炎活性与急毒性。应用薄膜分散-挤压的方法可以成功得到DPL long-circulating。实验结果表明DPL long-circulating有均匀的粒径和稳定的性质。在抗炎实验中,DPL long-circulating和DPL表现出比DSP更强的抗炎效果。急性毒性实验则表明DSP注射液与DPL long-circulating和DPL相比有较小的毒性,提示DPL long-circulating和DPL可能因为被动靶向作用从而提高了生物利用度。使用上述方法得到的DPL long-circulating满足了质量要求,并且有较高的抗炎活性及急毒性。     

微量热法比较黄连中四种生物碱的抗菌作用

采用微量热法研究和比较中药黄连中四种生物碱(BAs)的抗菌(大肠杆菌)作用。这四种生物碱分别为小檗碱、黄连碱、巴马汀和药根碱。用LKB-2277生物活性检测系统,以停留法测定了37 ℃时大肠杆菌在BAs作用下的热流功率-时间曲线,并记录生长速率常数k, 指数生长期和稳定期的最大热功率Pm, log、Pm, stat, 生长抑制率I, 传代时间tg,指数生长期的总产热量Qt, log,半数抑菌浓度IC50等热动力学参数。结果显示这四种生物碱具有相异的抗大肠杆菌生长代谢的作用,k, Pm, log和Qt, log值随BAs浓度的增加而相应的减少。综合分析k, Pm, log, Qt, log, I 和IC50值可以看出,BAs抑制大肠杆菌生长代谢强度按小檗碱、黄连碱、巴马汀、药根碱的顺序依次减弱。构效关系研究表明,母环C-2和C-3上连接的亚甲二氧基比甲氧基更能显著增强相应化合物的抗菌作用,而C-9和C-10上连接的亚甲二氧基或甲氧基对这种抗菌作用影响不大。     

对氨基苯甲酸热力学性质的量热和热分析研究

在80～400 K温区,用高精度全自动绝热量热仪测定了对氨基苯甲酸摩尔热容,得到摩尔热容随温度的变化的关系式为：     

C9H12+·侧链分解反应机理的理论研究

正苯丙烷正离子的分解过程可以作为研究烷基苯正离子分解反应机理的原型。使用Gaussian98程序包,在B3LYP/6-311++G**基组水平上,C9H12+·分解反应系统的各反应被详细研究。用振动模式分析充分研究了各反应通道以确定过渡态,用电子布居分析讨论电子的分布并阐明反应机理。C9H12+·链反应可以由C-H键断裂而引发,但是有一个直接产生C8H9+ + CH3·的通道。     

New cytotoxic cerebroside from Gynura divaricata

A new cerebroside,gynuraoside(1),was isolated from the aerial parts of Gynura divaricata DC.It was determined to be 1-O-β- D-glucopyranosyl-(2S,3S,4R,10E)-2-[(2′R)-2′-hydroxyldocosanoyl-amino]-10-octadecene-1,3,4-triol on the basis of chemical and spectroscopic evidence.This compound showed strong cytotoxicity against L1210 leukemia cell line in vitro.     

抑制剂BD2对PKA与PKC βII的抑制选择性研究

蛋白激酶A (PKA)和蛋白激酶C (PKC)的过度表达导致细胞生长分化异常, 是治疗肿瘤的潜在靶点. 抑制剂BD2对PKA和PKC抑制作用存在高选择性. 为了探讨BD2高选择性机制, 本工作以PKA与BD2复合物的晶体结构为模板, 通过同源模建结合分子对接的方法构建PKC βII与BD2复合物的结构, 并对PKA-BD2复合物和PKC-BD2复合物进行了2.5 ns的分子动力学模拟, 运用MM-GBSA方法计算了结合自由能, 通过能量分解的方法考察PKA和PKC的主要残基与BD2之间的相互作用和识别机制. 结合能分析结果很好地描述了BD2对PKA抑制活性比其对PKC抑制活性高这一实验现象. 氢键分析和能量分解结果共同说明了BD2的B环和酰胺链部分与PKA和PKC中相应位点的残基之间的相互作用存在差异, 这是BD2存在选择性的内在因素. BD2高选择性作用机制的阐明为进一步基于结构的balanol类抑制剂的结构设计和优化提供了合理的指导.     

氨基功能化纳米Fe3O4磁性高分子吸附剂对废水中Cr(VI)的吸附研究

采用分散聚合法通过共聚、开环反应, 对纳米Fe3O4进行表面功能化修饰, 得到富含NH2官能团的纳米磁性高分子复合材料. 通过透射电镜(TEM)、振动样品磁强计(VSM)、热重差热分析(TGA)、X射线衍射(XRD)、红外光谱(IR)等对其进行表征, 着重研究了其作为吸附剂对Cr(VI)的吸附性能. 结果表明: 该吸附剂对Cr(VI)的吸附能在10 min内达到平衡; 废水溶液pH值能显著影响吸附剂对Cr(VI)的吸附效果, pH为2.5时效果最佳. 废水中Cr(VI)的初始浓度、吸附时间、温度等因素对吸附效果均有不同程度的影响. 结合相应pH值下Cr(VI)的形态分布, 探讨了这种新型材料对Cr(VI)的吸附机理. 结果表明: 其吸附机理及吸附容量与废水中Cr(VI)的离子形式有关; 吸附过程以离子交换与静电引力为主. 等温吸附数据符合Langmuir模型, T＝308 K, pH＝2.5, V＝40 mL时, 吸附剂的饱和吸附容量qm＝25.58 mg/g. 吸附为吸热过程, 焓变ΔH＝8.64 kJ/mol.     

Analysis of stability and error estimates for three methods approximating a nonlinear reaction-diffusion equation

We present the error analysis of three time-stepping schemes used in the discretization of a nonlinear reaction-diffusion equation with Neumann boundary conditions, relevant in phase transition. We prove $L^\infty$ stability by maximum principle arguments, and derive error estimates using energy methods for the implicit Euler, and two implicit-explicit approaches, a linearized scheme and a fractional step method. A numerical experiment validates the theoretical results, comparing the accuracy of the methods.     

Structure Analysis of Montmorillonite Intercalated with Cetylpyridinium and Cetyltrimethylammonium: Molecular Simulations and XRD Analysis

Molecular mechanics and molecular dynamics simulations combined with X-ray powder diffraction were used in structure investigation of montmorillonite intercalated with cetylpyridinium (CP) and cethyltrimethylammonium (CTA) cations. Molecular modeling revealed the interlayer structure and differences in intercalation behavior of CP and CTA cations in montmorillonite. The experimental and calculated values of basal spacing were in good agreement for both intercalates: in the case of CP-montmorillonite d(exp)=20.59 ?, d(calc)=20.60 ?; for CTA-montmorillonite d(exp)=18.00 ? and d(calc)=18.10 ?. CTA-montmorillonite exhibits significantly higher total sublimation energy and higher host-guest interaction energy than the CP-montmorillonite. The main difference between both intercalates is in charge distribution on the host layers and guest species. The charge transfer from the guest species to the host layer is higher in CTA-montmorillonite than in CP-montmorillonite, and consequently the charge polarization between the host and guest layers is much higher in CTA-montmorillonite. This leads to much stronger host-guest electrostatic interaction in the case of CTA-montmorillonite. Copyright 2001 Academic Press.     

Characterization of human alcohol dehydrogenase isoenzymes by capillary isoelectric focusing-mass spectrometry

The human liver alcohol dehydrogenase (ADH) isoenzymes are currently believed to play a major role in ethanol metabolism, accounting for most of the ethanol oxidized in the liver. They have similar molecular masses and similar isoelectric point (pI) values (the 13 possible isoenzymes having pIs in the range of 8.26-8.87), making their characterization a significant analytical challenge. Capillary isoelectric focusing (CIEF) coupled on-line with electrospray ionization - Fourier transform ion cyclotron resonance (ESI-FTICR) mass spectrometry was applied to separate and characterize mixtures of alphaalpha, beta1beta1 and beta3beta3 ADH isoenzymes. Seven different species were resolved by the separation in the pI 8.26-8.67 range. ESI-FTICR analysis of native ADHs revealed that each noncovalent ADH complex contains two monomeric protein units and four zinc atoms. The combination of CIEF separations with mass spectrometry appears well-suited for detailed characterization of ADH isozymes, and the attomole level sensitivity of FTICR should allow very small samples to be addressed.