Solubility Study of Nimodipine Inclusion Complexation with α- and β-Cyclodextrin and some Substituted Cyclodextrins

The solubility of nimodipine was measured in aqueous solutions of the following cyclodextrins: -cyclodextrin (-CD), hydroxypropyl--CD (HP--CD), -cyclodextrin (-CD), random substituted methyl--CD (M--CD), three hydroxypropyl--CDs (HP--CD) with mutually different average degree of substitution, and hydroxypropyl--cyclodextrin (HP--CD). From the determined linear solubility diagrams the values of the binding constant K₁₁ of the inclusion complexes of nimodipine with the respective CDs were evaluated. The -CDs efficiently solubilized sparingly soluble nimodipine, the highest value of K₁₁ was found for M--CD (1680 M^-1), followed by -CD (550 M^-1) and HP--CDs, where the higher degree of substitution lowered K₁₁. Only slight solubilization of nimodipine was observed in the solutions of the -CDs and HP--CD.     

Selective Formation of Spinel Iron Oxide in Thin Films by Complexing Agent-Assisted Sol-Gel Processing

The structure of iron oxide was controlled by regulating the hydrolytic polymerization of aquo iron complexes with organic polydentate ligands such as diols. Iron oxides were prepared by calcining the precursor polymers obtained from iron nitrate nonahydrate and diols. When the diols were 1,2-pentanediol, 1,2-hexanediol and 1,2-octanediol, α-Fe₂O₃ with corundum structure appeared exclusively or as the main crystalline phase, in spite of the amount of diol used and the calcination temperature. In the case of 1,2-decanediol and 1,2-dodecanediol, when five moles of the diols were used to one mole of iron nitrate and the calcination temperatures were below 400°C, ψ-Fe₂O₃ with spinel structure appeared as the main phase and, when less than five moles of the diols were used, α-Fe₂O₃ appeared exclusively or as the main phase, irrespective of the calcination temperature. This tendency was also observed in thin films. Thus, a transparent magnetic film composed of γ-Fe₂O₃ could be prepared by applying a benzene solution of the iron polymer, obtained with 5 equivalents of 1,2-decanediol, on quartz and calcining the gel film at 350°C.     

A molecular docking model of SARS-CoV S1 protein in complex with its receptor, human ACE2

The exact residues within severe acute respiratory syndrome coronavirus (SARS-CoV) S1 protein and its receptor, human ACE2, involved in their interaction still remain largely undetermined. Identification of exact amino acid residues that are crucial for the interaction of S1 with ACE2 could provide working hypotheses for experimental studies and might be helpful for the development of antiviral inhibitor. In this paper, a molecular docking model of SARS-CoV S1 protein in complex with human ACE2 was constructed. The interacting residue pairs within this complex model and their contact types were also identified. Our model, supported by significant biochemical evidence, suggested receptor-binding residues were concentrated in two segments of S1 protein. In contrast, the interfacial residues in ACE2, though close to each other in tertiary structure, were found to be widely scattered in the primary sequence. In particular, the S1 residue ARG453 and ACE2 residue LYS341 might be the key residues in the complex formation.     

一测多评方法应用于高效液相色谱法测定防晒产品中15种防晒剂的含量

选用CAPCELL PAK C18色谱柱为分离柱,柱温为30℃,进样体积为10.0μL,并用不同比例的(A)甲醇、(B)四氢呋喃和(C)0.008 2mol·L^-1高氯酸溶液的混合液作为流动相,按程序梯度洗脱模式对市售防晒产品中所用的15种防晒剂的标准品进行色谱分离,并在波长311nm处进行紫外检测。实样分析时,称取样品0.25g,用甲醇、四氢呋喃、水和高氯酸(体积比为250∶450∶300∶0.2)的混合液(以下简称混合溶剂)15 mL超声提取30 min,用混合溶剂定容至25.0mL,离心10min,分取上清液1.0mL,加入混合溶剂定容至10.0mL,经0.45μm滤膜过滤,取滤液按仪器工作条件进行高效液相色谱分析。结果表明:所测定的15种防晒剂在一定的质量浓度范围内与其对应的峰面积呈线性关系。选定其中的二苯酮-3为参照物,并根据其余14种化合物的质量浓度和峰面积计算了各化合物的相对校正因子和相对保留时间等参数,确定了用一测多评法(QAMS)测定防晒产品中15种防晒剂的条件。还对色谱柱的型号、色谱仪器的型号以及柱温、进样量等对相对校正因子和保留时间可能产生影响的因素进行了系统试验。证明了在选定的色谱柱型号的前提下,用QAMS方法可实现防晒产品中15种防晒剂含量的同时测定。应用QAMS方法测定了6个批次防晒产品中的防晒剂含量,所得结果与用标准曲线法计算的结果基本一致,表明QAMS方法在降低检测成本和节省检测时间方面效果显著。     

Hetero-calix[4]pyrroles: incorporation of furans, thiophenes, thiazoles or fluorenes as a part of the macrocycle

Furans, thiazoles, fluorene or thiophene incorporated calix[4]pyrrole analogues were synthesized and characterized. The synthesis was achieved by utilization of various building blocks such as 7, 13, 14, 18 and 21. Acid catalyzed condensation of those building blocks with acetone or meso-disubstituted dipyrromethanes afforded desired macrocycles.     

Barium dichromate [BaCr2O7], a mild reagent for oxidation of alcohols to their corresponding carbonyls in non-aqueous polar aprotic media

Barium dichromate is used as a mild oxidizing agent for the selective conversion of primary and secondary alcohols to their corresponding aldehydes and ketones, respectively. Over-oxidation does not occur and primary alcohols undergo oxidation to the aldehyde. Primary and secondary benzylic alcohols are oxidized faster and more efficiently.     

An optical surface plasmon resonance biosensor for determination of tetanus toxin

Surface plasmon resonance (SPR) has been successfully applied for the simple, rapid, and label-free assay of various biomolecules. This assay evaluates a novel wavelength modulation SPR biosensor for the detection of tetanus toxin. The wavelength modulation SPR biosensor is designed based on fixing the incident angle of light and measuring the reflected intensities in the resonance wavelength range spanning 400-800 nm simultaneously. Tetanus toxin (TeNT), one of the most potent toxins known, is synthesized as a 150 kDa single polypeptide chain. The SPR biosensor has been shown to be capable of directly detecting concentration of tetanus toxin as low as 0.028 Lf ml⁻¹. Under selected experimental conditions, the SPR biosensor has a good reproducibility, sensitivity and reversibility. The results illustrate how wavelength modulation SPR biosensor can be used to detect biomolecular interactions.     

气相色谱-质谱法分析土壤中神经性毒剂及糜烂性毒剂

建立了土壤中神经性毒剂及糜烂性毒剂GC—MS-SIM分析法，对土壤中6种毒剂的样品制备和二步萃取方法进行了研究；该法的回收率在80．7％～89．5％，6种毒剂在0．5～10mg/L范围内毒剂质量浓度和峰面积有良好的线性相关，方法检出限为4～20ng／g，该法适用于痕量化学战剂分析。     

New methods for data analysis of isothermal titration calorimetry

Heat divided by ligand concentration vs. heat, similar to the Scatchard plot, was introduced to obtain the equilibrium constant (K) and the enthalpy of binding (DH) using isothermal titration calorimetry data. Values of K and DH obtained by this linear pseudo-Scatchard plot for a system with a set of independent binding sites (such as binding fluoride ions on urease and monosaccharide methyl a-D-mannopyranoside on concavalin A) were remarkably like that obtained from a normal fitting Wiseman method and other our technical methods. On applying this graphical method to study the binding of copper ion on myelin basic protein (MBP), a concave downward curve obtained was consistent with the positive cooperativity in the binding. A graphical fitting by simple method for determination of thermodynamic parameters was also introduced. This method is general, without any assumption and restriction made in previous method. This general method was applied to the product inhibition study of adenosine deaminase. This revised version was published online in July 2006 with corrections to the Cover Date.     

Effects of coupling agents on mechanical and morphological behavior of the PP/HDPE blend with two different CaCO3

The main purpose of incorporating fillers, such as calcium carbonate, into blends of polyolefins is to decrease costs and change tensile and impact properties. Structural differences between both components give rise to the formation of large filler agglomerates in the polymer matrix, which influence the mechanical response of the material. Therefore, the coupling agents of the Lica 12 type at various concentrations was used to facilitate the link between filler and matrix (the latter consisting of PP/HDPE 80/20 wt). Filler was added to the PP/HDPE blend at a 30 wt.% concentration. Two types of calcium carbonate (CaCO₃) were used. These have different average sizes (3.0 and 1.8 μm) which were determined by means of laser diffraction techniques. In addition other coupling agents of the titanate type, such as Lica 09, Lica 01, zirconates ZN 12, and a 1:1 mixture of Lica 12 and Lica 01, were used. This study clearly demonstrated that the addition of the coupling agent to CaCO₃ modifies the mechanical properties of the PP/HDPE/CaCO₃ composites. Values of the mechanical properties indicate that due to its characteristics, each coupling agent gives rise to increases in a particular mechanical property. In the case of Lica 01 an increase was verified in Young’s modulus at 0.7 wt.% and in elongation at break at both concentrations (0.3 and 0.7 wt.%), whereas ZN 12 brought about an increase in elongation at break. The 1:1 mixture of Lica 12 and Lica 01 caused impact resistance of the blend of PP/HDPE with CaCO₃ to increase considerably.