Surface forces in foam films from ABA block copolymer: a dynamic method study

The thinning of foam films from aqueous solutions of an ABA triblock copolymer of polyethylene oxide and polypropylene oxide (average molecular weight 14,000 g/mol) is studied experimentally. The dependence of the surface forces on film thickness is obtained by the dynamic method of Scheludko and Exerowa.The total surface force measured in foam films (radius 60–70 m) from 10^–5 M (0.014 wt%) polymer solution with 0.1 M NaCl is positive at thicknesses from about 800 down to 460 . The electrostatic repulsion is negligible while the contribution of van der Waals attraction is small (within 15%). Therefore a positive surface force component predominates. Most probably it arises from steric interactions between the hydrophilic polyethylene oxide tails of the polymer. The dynamic method appears to be a suitable technique for exploring the stabilization of foam films from ABA copolymers.     

Modeling Studies of the Formation and Destruction of NO in Pulsed Barrier Discharges in Nitrogen and Air

This paper presents the results of modeling studies on the formation and destruction of NO in pulsed barrier discharges in nitrogen and air. The goals of this work are to identify the major processes involved in the formation and destruction of NO in air discharges, to distinguish between oxidative and reductive paths for NO destruction, to explore the potential importance of excited state reactions, to evaluate the role of water in such systems, and to identify the final products in the absence of heterogeneous processes. In all cases, the systems were modeled with 100×10^–4% (100 ppm) of added NO, with and without 3% added water. The focus in all of this work is chemistry in the post-pulse regime.     

辣根过氧化物酶活性膜结构及生物电催化性能

通过分子沉积法研究了在聚对苯二甲酸乙二醇酯（PET）表面及金电极表面组装辣根过氧化物酶（HRP）/聚对苯乙烯磺酸钠（PSS）多层生物活性膜，用原子力显微镜(AFM)研究了组装膜的表面形貌，并研究了组装膜的形貌、粗糙度和活性关系.应用循环伏安法（CV）研究了组装HRP膜后电极对H2O2的电化学催化还原作用.实验发现，采用亚甲基蓝（MB）溶液为介质，在H2O2浓度为0.2～5.0 mmol•L－1时，其响应电流对H2O2浓度变化基本呈线性.     

Dynamic Study of Gemini Surfactant and Single-chain Surfactant at Air／Water Interface

Molecular dynamics (MD) simulation are used to study the properties of gemini surfactant of ethyl-α,ω-bis(dodecyldimethylammonium bromide) (C12C2C12) and dodecyl-trimethylammonium bromide (DTAB) at the air/water interface, respectively. In the two systems,t he surfactant concentrations are both 28 wt.%, and other conditions are also the same. After reaching the thermodynamic equilibrium, the concentration profiles, the radial distributions functions (RDF) and the mean squared displacement (MSD) are investigated. The results reveal that the surface activity of C12C2C12 surfactant is higher than DTAB surfactant.     

Dynamic imaging of single DNA-protein interactions using atomic force microscopy

Atomic force microscopy (AFM) imaging of static DNA-protein complexes, in air and in liquid, can be used to directly obtain quantitative and qualitative information on the structure of different complexes. For example, DNA length, the location of preferential binding sites for proteins and bending of DNA as a result of the complexation can all be measured. Recording consecutive AFM images of DNA and protein molecules under conditions that they are still able to move and interact, or dynamic AFM imaging, however, can reveal information on the dynamic aspects of the interactions between these molecules. Here, an overview is given of the technical challenges that need to be considered for successful dynamic AFM imaging studies of individual DNA-protein interactions. Necessary technical improvements to the AFM set-up and the development of new sample preparation methods are described in this paper.     

Free energy perturbation approach to the critical assessment of selective cyclooxygenase-2 inhibitors

The discovery of selective cyclooxygenase-2 (COX-2) inhibitors represents a major achievement of the efforts over the past few decades to develop therapeutic treatments for inflammation. To gain insights into designing new COX-2-selective inhibitors, we address the energetic and structural basis for the selective inhibition of COX isozymes by means of a combined computational protocol involving docking experiment, force field design for the heme prothetic group, and free energy perturbation (FEP) simulation. We consider both COX-2- and COX-1-selective inhibitors taking the V523I mutant of COX-2 to be a relevant structural model for COX-1 as confirmed by a variety of experimental and theoretical evidences. For all COX-2-selective inhibitors under consideration, we find that free energies of binding become less favorable as the receptor changes from COX-2 to COX-1, due to the weakening and/or loss of hydrogen bond and hydrophobic interactions that stabilize the inhibitors in the COX-2 active site. On the other hand, COX-1-selective oxicam inhibitors gain extra stabilization energy with the change of residue 523 from valine to isoleucine because of the formations of new hydrogen bonds in the enzyme-inhibitor complexes. The utility of the combined computational approach, as a valuable tool for in silico screening of COX-2-selective inhibitors, is further exemplified by identifying the physicochemical origins of the enantiospecific selective inhibition of COX-2 by -substituted indomethacin ethanolamide inhibitors.     

牛血清白蛋白与十二烷基硫酸钠作用的机理

利用电动势法得到了牛血清白蛋白(BSA)与十二烷基硫酸钠(SDS)相互作用的结合等温线. 通过四阶导数紫外光谱法和荧光光谱法研究了相互作用过程中芳香族氨基酸残基微环境极性的变化. 通过研究发现, 随着SDS浓度的逐渐增大, SDS在BSA上的平均结合数(v)逐渐增大, 色氨酸(Trp)残基所处微环境的极性在减弱后保持基本不变, 酪氨酸残基所处微环境的极性在明显增强后稍有减弱, 苯丙氨酸残基所处微环境的极性略有增强. 结果表明, 当v由0增大到14时, SDS主要结合在BSA的Trp-213附近并逐渐形成聚集体, 从而诱导BSA由结构域ⅡA 开始逐渐展开. 此后, SDS呈正协同作用的特点与BSA 结合, v急剧增大. 当v约为302 时, SDS在BSA上的结合基本达到饱和, BSA的构象趋于稳定.     

纳米TiO2催化α-蒎烯空气环氧化反应

 采用硫酸钛和氢氧化钠等无机试剂为原料,经过简单步骤制备出纳米TiO2前驱体,用高压釜在270 ℃和7.07 MPa下进行乙醇热处理,得到锐钛矿型纳米TiO2催化剂,并考察了该催化剂对α-蒎烯空气环氧化反应的催化性能. 结果表明,乙醇高压热处理明显地提高了纳米TiO2的催化活性. 在常压、 70 ℃和6 h条件下, α-蒎烯转化率可达17.02%, 环氧化物选择性为53.47%; 当压力增大到1.01 MPa时,转化率提高到35.24%, 选择性下降到41.20%. 对反应机理进行了探讨.     

Second Dissociation Constants of 4-[N-morpholino]butanesulfonic Acid and N-[2-hydroxyethyl]piperazine-N′-4-butanesulfonic Acid from 5 to 55°C

The values of the second dissociation constant, pK ₂, for the dissociation of the NH⁺ charge center of the zwitterionic buffer compounds 4-(N-morpholino)butanesulfonic acid (MOBS), and N-(2-hydroxyethyl)piperazine-N-4-butanesulfonic acid (HEPBS) have been determined from 5 to 55°C, including, 37°C at intervals of 5°C. The electromotive-force (emf) measurements have been made utilizing hydrogen electrodes and silver–silver chloride electrodes. The value of pK ₂ for MOBS was found to be 7.702 ± 0.0005, and 8.284 ± 0.0004 for HEPBS, at 25°C, respectively. The related thermodynamic quantities, G ^o, H ^o, S ^o, and C _p ^o for the dissociation processes of MOBS and HEPBS have been derived from the temperature coefficients of pK ₂. Both the MOBS and HEPBS buffer materials are useful as primary pH standards for the control of pH 7.3 to 8.6 in the region close to that of physiological fluids.     

Extremality and the global Markov property II: The global markov property for non-FKG maximal Gibbs measures

We give a condition on a Gibbs measure for an attractive Markov specification, which assures extremality and the global Markov property. As an example of application we consider the class of attractive Markov specifications defined on a compact configuration space over a two-dimensional lattice by the interaction Hamiltonians (assumed to have a finite set of periodic ground configurations) satisfying Peierl's condition. We prove that each extremal Gibbs measure for such a specification, at sufficiently low temperature, has the global Markov property.On leave of absence from the Institute of Theoretical Physics, University of Wrocaw, Poland.