阿托伐他汀钙与β-环糊精相互作用的研究及应用

采用线性扫描伏安法和循环伏安法并结合紫外分光光度法研究了新型抗血脂紊乱药物阿托伐他汀钙(AC)与β-环糊精(-βCD)的相互作用.探讨了-βCD对AC的峰电流及AC对-βCD吸附峰电流的影响,测得在0.06mol/LKH2PO4-Na2HPO4(pH=7.17)缓冲溶液中,AC与-βCD包结比为1:1,用电流法测得包结物的形成常数为9.09×104L/mol.根据碱性介质条件下β-CD分子与AC形成包结物而使β-CD吸附峰电流减小的特性,建立了一种利用β-CD间接测定AC的伏安方法.     

刚果红与血清白蛋白相互作用的极谱分析

在pH4．7HAc-NaAc缓冲溶液中，刚果红与蛋白质(BSA或HSA)作用形成络合物，使刚果红-0．35V(vs SCE)的还原峰电流下降，峰电流的降低值同所加的BSA或HSA质量浓度在一定范围内呈线性关系；BSA和HSA的线性范围分别为0．5～12mg／L和0．5～11mg／L，检出限分别为0．25和0．20mg／L；运用该法测定了人血清白蛋白样品，结果令人满意。     

12-钼磷酸与γ-Al2O3载体的相互作用

应用酸碱滴定、X射线衍射(XRD)、激光拉曼(LRS)和顺磁共振(EPR)等方法研究了磷钼酸(PMo_(12))与γ-Al_2O_3载体间的相互作用．结果表明，PMo_(12)在γ-Al_2O_3上随负载量增加出现三种不同的分散状态，据此提出了PMo_(12)在γ-Al_2O_3上的铺展模型．     

荧光素酯与蒽甲酸酯之间的光致相互作用

我们合成了以不同链长连接的荧光素酯与蒽甲酸酯的四种二元化合物.在溶液中的构象研究表明.链呈不同程度的弯曲,但分子内两个发色团的相互作用是微弱的.激发蒽甲酸酯,无论是在分子间还在分子内,其单重态能量几乎都传递给了荧光素酯.激发荧素酯时,并未观测到分子内的光致电子转移,尽管计算和模型化合物分子间的对照实验都表明它们之间是可以发生这种电子转移的.最可能的原因是这个系列在溶液中,分子内的两个发色平面没有好的匹配,或者说 ,这些二元化合物在所研究的溶液中,不能满足分子内的光致电子转移对构象的要求.     

荧光法研究金属络合物与脱氧核糖核酸的相互作用

研究了Tb(phen) 2 Cl3 ·H2 O·CH3 CH2 OH与小牛胸腺脱氧核糖核酸 (DNA)的作用方式 ,结果表明 :它们之间的作用存在两种模式 :嵌入与静电作用。运用Tb(phen) 2 Cl3 ·H2 O·CH3 CH2 OH作荧光探针初步研究了Ni(phen) 3 (ClO4) 2 ·3H2 O的两种手性对映体与DNA的相互作用 ,结果表明 :这两种对映体的作用存在差别     

甲酰胺在乙二醇-水混合溶剂中的稀释焓

酰胺是肽的基本结构单元, 而且在蛋白质的二级结构中与酰胺联系的氢键对蛋白质的稳定起着十分重要的作用. 作为蛋白质模型化合物热力学性质研究的一部分, 报道了甲酰胺在乙二醇水溶液中的稀释焓.      

探究Cu/ZnO相互作用对CO2加氢制甲醇反应性能的影响

Using renewable green hydrogen and carbon dioxide (CO₂) to produce methanol is one of the fundamental ways to reduce CO₂ emissions in the future, and research and development related to catalysts for efficient and stable methanol synthesis is one of the key factors in determining the entire synthesis process. Metal nanoparticles stabilized on a support are frequently employed to catalyze the methanol synthesis reaction. Metal-support interactions (MSIs) in these supported catalysts can play a significant role in catalysis. Tuning the MSI is an effective strategy to modulate the activity, selectivity, and stability of heterogeneous catalysts. Numerous studies have been conducted on this topic; however, a systematic understanding of the role of various strengths of MSI is lacking. Herein, three Cu/ZnO-SiO₂ catalysts with different strengths of MSI, namely, normal precipitation Cu/ZnO-SiO₂ (Nor-CZS), co-precipitation Cu/ZnO-SiO₂ (Co-CZS), and reverse precipitation Cu/ZnO-SiO₂ (Re-CZS), were successfully prepared to determine the role of such interactions in the hydrogenation of CO₂ to methanol. The results of temperature-programmed reduction (H₂-TPR) and X-ray photoelectron spectroscopy (XPS) characterization illustrated that the MSI of the catalysts was considerably affected by the precipitation sequence. Fourier transform infrared reflection spectroscopy (FT-IR) results indicated that the Cu species existed as CuO in all cases and that copper phyllosilicate was absent (except for strong Cu-SiO₂ interaction). Transmission electron microscopy (TEM), X-ray diffraction (XRD), and N₂O chemical titration results revealed that strong interactions between the Cu and Zn species would promote the dispersion of Cu species, thereby leading to a higher CO₂ conversion rate and improved catalytic stability. As expected, the Re-CZS catalyst exhibited the highest activity with 12.4% CO₂ conversion, followed by the Co-CZS catalyst (12.1%), and the Nor-CZS catalyst (9.8%). After the same reaction time, the normalized CO₂ conversion of the three catalysts decreased in the following order: Re-CZS (75%) > Co-CZS (70%) > Nor-CZS (65%). Notably, the methanol selectivity of the Re-CZS catalyst was found to level off after a prolonged period, in contrast to that of Co-CZS and Nor-CZS. Investigation of the structural evolution of the catalyst with time on stream revealed that the high methanol selectivity of the catalyst was caused by the reconstruction of the catalyst, which was induced by the strong MSI between the Cu and Zn species, and the migration of ZnO onto Cu species, which caused an enlargement of the Cu/ZnO interface. This work offers an alternative strategy for the rational and optimized design of efficient catalysts.     

COCl2…NH3和COCl2…H2S体系的理论研究

在MP2水平上,用aug-cc-pVTZ基组对COC l2…NH3和COC l2…H2S体系进行几何优化和频率计算,同时使用Counterpoise技术进行BSSE校正,分别得到4个COC l2…NH3和2个COC l2…H2S无虚频的稳定结构:N(S)…C连接的构型(Ⅰ,Ⅱ,Ⅴ)和N(S)…C—lC直线型连接的构型(Ⅲ,Ⅳ,Ⅵ).第一类构型比第二类构型相互作用能更大、更稳定.在得到的6个稳定络合物中,络合物Ⅰ是最稳定的.     

全硅FER沸石上有机吸附物脱附行为的研究

运用热分析技术,研究吸附在体相和表面结构完美的单晶状疏水全硅FER沸石孔道中的有机化合物的脱附行为,测定亲和性指数AT值和负载量。所研究的吸附质为直链烷烃、直链烷基醇、直链烷基胺等,结果显示醇有较低的AT值,而直链烷烃有较高的AT值,胺类有最高的AT值。证明全硅FER沸石骨架对烷基、胺基呈现出强的"亲和性",而对羟基呈现出“憎性”。同时还发现吸附质的链长对脱附性质、AT值也有较大影响。     

Mg改性对Co/γ-Al2O3-TiO2催化燃烧丙烷性能影响

采用分步浸渍法制备了系列Mg改性的Co/γ-Al_2O_3-TiO_2催化剂,通过X射线衍射(XRD)、紫外可见漫反射光谱(DR-UV-vis)、N_2吸附-脱附(BET)、X射线光电子能谱(XPS)和H_2程序升温还原(H_2-TPR)等技术对催化剂进行表征,并考察了其对丙烷燃烧的催化性能。结果表明,Co在原始γ-Al_2O_3-TiO_2载体和Mg改性MgO/γ-Al_2O_3-TiO_2载体上均以Co_3O_4的形式存在;Mg掺入后与Al_2O_3作用形成MgAl_2O_4尖晶石,改善了载体的织构性质,提升了Co_3O_4在催化剂载体表面的暴露数量和分散程度。此外,MgAl_2O_4与Co_3O_4相互作用提升了Co_3O_4颗粒表面Co~(3+)/Co~(2+)和O_(ads)/O_(latt)的比例,并削弱了Co-O键键能,从而提升了其对丙烷的催化燃烧活性。当Mg负载量为15%(质量分数)时,在Co/MgO(15%)/γ-Al_2O_3-TiO_2催化剂上进行丙烷燃烧,丙烷90%转化率的温度比无Mg掺杂的Co/γ-Al_2O_3-TiO_2催化剂的降低了45℃,并且连续反应40 h其活性保持稳定。