Microbicides for HIV/AIDS. 1. Electrophoretic fingerprinting the H9 cell model system

An electrophoretic fingerprint of a CD4+ T-cell (H9) has been produced for the first time. Samples were taken from three separate cultures prepared at different times to obtain a general characterization of the cells. The availability of commercial instrumentation equipped with an auto-titrator has made possible the application of both the 2-dimensional and 3-dimensional representation of electrophoretic fingerprinting. The 2-dimensional treatment has been used to assess the reliability of the data and has detected hysteresis as a possible second-order effect. The 3-dimensional representation has been used to explore the data needed for a reliable overall pattern that characterizes the conditions of pH and conductivity required for an effective microbicide. The dome negative maximum in the electrophoretic fingerprint at high pH, along with the line of zero mobility (LZM) and a dome positive maximum at low pH, are interpreted as evidence for surface carboxyl groups prominent in the alkaline regime and surface amino groups prominent in the acid regime, suggesting that the H9 cell surface is zwitterionic. This has important implications as to the choice and design of microbicide actives.     

An exponential Galerkin method for solutions of HIV infection model of CD4+ T-cells

In this study, we consider a nonlinear first order model about the infection of CD4⁺ T-cells by HIV. In order to solve it numerically, we present a new method based on exponential polynomials reminiscent of the Galerkin method. Considering the approximate solutions in the form of exponential polynomials, we first substitute these approximate solutions in the original model. Some relations are thus obtained, which we express in terms of matrices. Taking inner product of a set of exponential functions with these matrix expressions then yields a nonlinear system of algebraic equations. The solution of these equations gives the approximate solutions of the model. Additionally, the technique of residual correction, which aims to reduce the error of the approximate solution by estimating this error, is discussed in some detail. The method and the residual correction technique are illustrated with an example. The results are also compared with numerous existing methods from the literature.     

AIDS病毒与CD^＋4靶细胞检测方法的研究

本文对ＡＩＤＳ病毒原及其靶细胞检测方法的研究进展了较系统的评述。深入分析了ｇｐ１２０，ＣＤ４受体分子与小肽的相互作用。并给出了抗ＡＩＤＳ病毒药物分析 方法的最新研究方向。     

Maintenance of CD8+ T-cell anergy by CD4+CD25+ regulatory T cells in chronic graft-versus-host disease

In a murine model of systemic lupus erythematosus (SLE)-like chronic graft-versus-host disease (cGVHD), donor CD8+ T cells rapidly fall into anergy to host cells, while donor CD4+ T cells hyperactivate B cells and break B-cell tolerance to self-Ags in the recipient mouse. The functional recovery of donor CD8+ T cells can result in the conversion of cGVHD to acute GVHD (aGVHD), indicating that donor CD8+ T-cell anergy is a restriction factor in the development of cGVHD. In this report, we present evidence that donor CD4+CD25+ regulatory T cells (Treg cells) are critical in maintaining the donor CD8+ T-cell anergy and thus suppressing the development of aGVHD in mice that are naturally prone to cGVHD. Our results provide a novel insight into the role of Treg cells in determining cGVHD versus aGVHD.     

Imaging the reaction dynamics of OH + CD4. 2. Translational energy dependencies

The reaction of OH + CD4 is investigated in a crossed-beam experiment over the collisional energies ranging from reaction threshold of about 5 to 16 kcal/mol. Exploiting a time-sliced ion velocity imaging detection scheme, the coincident information on the two polyatomic product pairs, HOD and CD3, is revealed in a state-correlated manner. The recently discovered vibrational mode-correlation between the two products is found to persist over the full range of collision energies of this study. In addition, the energy dependencies of the correlated cross section, state distribution, and angular distribution are elucidated, providing an unprecedented insight into this important reaction.     

AIDS病毒与CD4靶细胞检测方法的研究

本文对AIDS 病毒抗原及其靶细胞(CD⁺₄ ) 检测方法的研究进展作了较系统的评述。深入分析了gp 120、CD₄ 受体分子与小肽的相互作用。并给出了抗A IDS 病毒药物分析方法的最新研究动向。     

Electrophoretic studies on the mixed nitrilotriacetate-penicillamine complexes of Pb2+ and UO 2 2+

A technique involving the use of paper electrophoresis is described for the study of binary and mixed-complex systems in solution. This technique is based on the movement of a spot of metal ion in an electric field with the complexants added in the background electrolyte at pH 8.5. The concentration of primary ligand (nitrilotriacetate) was kept constant, while that secondary ligand (penicillamine) was varied. A graph of log[penicillamine] versus mobility was used to obtain information on the mixed complexes and to calculate stability constants. The stability constants of mixed-ligand complexes lead(II)-nitrilotriacetate-penicillamine and uranyl(II)-nitrilotriacetate-penicillamine have been found to be 5.68 ± 0.09 and 6.56 ± 0.05 (logarithm stability constant values), respectively, at ionic strength 0.1 M and a temperature of 35°C. The text was submitted by the author in English.     

Product angular distribution for the H + CD4 --> HD + CD3 reaction

Using an analytical potential energy surface previously developed by our group, namely PES-2002, we analyzed the gas-phase reaction between a hydrogen atom and perdeuterated methane. We studied the effect of quasiclassical trajectory (QCT) and reduced dimensionality quantum-scattering (QM) calculations, with their respective limitations, on CD3 product angular distributions in the collision energy range 16.1-46.1 kcal x mol(-1). It was found that at low collision energy, 16.1 kcal x mol(-1), both the QCT and QM calculations yielded forward scattered CD3 products, i.e., a rebound mechanism. However, at high energies only the QM calculations on the PES-2002 surface reproduced the angular scattering found experimentally.     

Monte Carlo simulation for pVT relationship of CO2+n-C4H10 and CO2+i-C4H10 systems

Monte Carlo simulation has been applied to calculate the pVT relationship of CO₂+butane (n-C₄H₁₀ and i-C₄H₁₀) systems at 310.93 K and up to 9.5 MPa. CO₂ is treated as a single-site molecule and butanes are treated as four-site molecules. The Lennard–Jones (12–6) potential is used as the site–site potentials and the combining rules proposed by Jorgensen et al. [W.L. Jorgensen, J.D. Madura, C.J. Swenson, J. Am. Chem. Soc. 106 (1984) 6638.] are adopted for unlike site pairs. The calculated results of the pVT relationship show good agreement with the experimental data [T. Tsuji, S. Honda, T. Hiaki, M. Hongo, J. Supercrit. Fluids 13 (1998) 15.] by introducing an intersite interaction parameter between unlike molecules. Furthermore, the radial distribution functions and the number of CO₂ and butanes around butanes are calculated as a fundamental information on the microscopic structures. It is found that the radial distribution functions and the number of CO₂ and n-C₄H₁₀ around n-C₄H₁₀ are different from those of CO₂ and i-C₄H₁₀ around i-C₄H₁₀.     

Electrophoretic transport of solutes in aqueous two-phase systems.

Electrophoretic transport of proteins across the interface between the phases of an aqueous polymer two-phase system can be greatly impeded in comparison with transport within the individual phase. This effect can be controlled by modifying the affinity of the protein for a phase by suitable manipulations of such variables as pH. The effect is not caused by differences in the electrophoretic velocity between the two phases, nor by large changes in pH at the interface. An analogy exists between this phenomenon and the related subject of diffusion of electrolytes across the phase interface.     

Isotopic replacement in ionic systems: the 4He2+ + 3He-->3He 4He+ + 4He reaction

Full quantum dynamics calculations have been carried out for the ionic reaction (4)He(2) (+)+(3)He and state-to-state reactive probabilities have been obtained using both time-dependent and time-independent approaches. An accurate ab initio potential-energy surface has been employed for the present quantum dynamics and the two sets of results are shown to be in agreement with each other. The results for zero total angular momentum suggest a marked presence of atom exchange (isotopic replacement) reaction with probabilities as high as 60%. The reaction probabilities are only weakly dependent on the initial vibrational state of the reactants, while they are slightly more sensitive to the degree of rotational excitation. A brief discussion of the results for selected higher total angular momentum values is also presented, while the l-shifting approximation [S. K. Gray et al., Phys. Chem. Chem. Phys. 1, 1141 (1999)] has been used to provide estimates of the total reaction rates for the title process. Such rates are found to be large enough to possibly become experimentally accessible.     

Microstructured Au/TiO2 model catalyst systems

The preparation of microstructured Au/TiO2 model catalysts as a first step toward micrometer-scale parallel studies on model catalysts and toward studies of mesoscopic effects in catalytic reactions was investigated by atomic force microscopy and X-ray photoelectron spectroscopy. The model systems, which consist of micrometer-size active areas covered with Au nanoparticles that are separated by similarly sized inactive areas free of Au particles, are fabricated by combining optical lithography methods for microstructuring and ultrahigh vacuum evaporation for Au nanoparticle deposition and by applying suitable cleaning steps. It is demonstrated that practically perfect microstructures with Au nanoparticles of catalytically relevant sizes (2-3-nm diameter) on a clean TiO2 substrate can be produced this way and that the processing steps do not affect the deposited Au nanoparticles, neither in size nor in lateral distribution.     

Imaging the reaction dynamics of OH + CD4. 3. Isotope effects

Isotope effects in the reaction of hydroxyl radical with methane are investigated in a crossed-beam experiment. By exploiting different combinations of OH/OD + CH4/CD4/CHD3, a total of eight isotopically variant reactions are examined to decipher the dynamical consequence of both primary and secondary isotope effects. The most prominent observation is from isotopic substitution of the transferred atom (primary isotope effect), which yields more stretch-excited water product for the D atom case than H atom. The opposite is found, however, for excitations in bending and combination modes. The secondary isotope effects, from either substituted hydroxyl radical or the three H atoms that are not being abstracted, are relatively minor and manifest themselves in spreading the vibrational distribution of the water coproducts.     

Metastable phase equilibria in the systems K2SO4 + K2B4O7 + H2O and KCl + K2B4O7 + H2O at 308.15 K

Experimental studies on the metastable solubilities and physicochemical properties (density and refractive index) in the ternary systems K₂SO₄ + K₂B₄O₇ + H₂O and KCl + K₂B₄O₇ + H₂O at 308.15 K were determined with the method of isothermal evaporation. According to the experimental results, the phase diagrams of the two ternary systems were plotted. In the phase diagrams, there are both two isotherm evaporation curves, one eutectic point corresponding to K₂SO₄ + K₂B₄O₇ · 4H₂O, and KCl + K₂B₄O₇ · 4H₂O, respectively. Both of the ternary systems belong to a simple eutectic type, and neither double salts nor solid solutions formed in the ternary systems. A comparison of the stable and metastable phase diagrams of the ternary systems K₂SO₄ + K₂B₄O₇ + H₂O and KCl + K₂B₄O₇ + H₂O shows that the supersaturated phenomenon of potassium borate tetrahydrate is significant and easier to appear the metastable behavior.     

The phase diagrams of the systems MgCl2 + MgB6O10 + H2O and MgSO4 + MgB6O10 + H2O at 323.15 K and Pitzer model

The solubilities and the relevant physicochemical properties of the systems MgCl₂ + MgB₆O₁₀ + H₂O and MgSO₄ + MgB₆O₁₀ + H₂O at 323.15 K were determined by the method of isothermal dissolution, and the phase diagrams and the diagrams of physicochemical properties versus composition were plotted. Both of the systems belong to a simple eutectic type, and neither double salts nor solid solution were found. Based on the extended Harvie-Weare (HW) model and its temperature-dependent equations, the value of the singlesalt Pitzer parameters ??⁽⁰⁾, ??⁽¹⁾, ??⁽²⁾, and C ^? for MgCl₂, MgSO₄, and Mg(B₆O₇)(OH)₆, the mixed ion-interaction parameters $\theta _{Cl, B_6 O_{10} }$ , $\theta _{SO_4 , B_6 O_{10} }$ , $\Psi _{Mg, Cl, B_6 O_{10} }$ , $\Psi _{Mg, SO_4 , B_6 O_{10} }$ , the average equilibrium constants (lnK _aver) of solids in the systems and the Debye-Hückel parameter A ^? were fitted. Using the Pitzer parameters and the average equilibrium constants of solids at equilibrium, the solubilities of the two systems at 323.15 K have been calculated. Comparisons between the calculated and experimental results show that the predicted solubilities agree well with experimental data.     

Phase compositions,viscosities and densities of systems PPG425 + Na2SO4+H2O and PPG425 + (NH4)2SO4 + H2O at 298.15 K

Phase diagrams of PPG425+Na₂SO₄+H₂O and PPG425+(NH₄)₂SO₄+H₂O systems at 298.15 K were measured. The densities and viscosities of two-phase systems were also measured. The improved regular solution theory was used to correlate the equilibrium data. In this theory a mixing entropy term and the Fowler-Guggenheim long-range electrostatic term has been used.     

四核簇离子S42+、Se42+、Te42+、Bi42-、Sn42-和Ge42-的电子结构与化学键

本文用EHMO法计算四核簇离子S_4~(2+)、Se_4~(2+)、Te_4~(2+)、Bi_4~(2-)、Sn_4~(2-)和Ge_4~(2-)的电子结构。讨论了平面正四边形S_4~(2+)、Se_4~(2+)、Te_4~(2+)和Bi_4~(2-)簇离子与蝴蝶形四核原子簇在成键性质上的不同。比较Sn_4~(2-)、Ge_4~(2-)簇离子与P_4、As_4原子簇电子结构的差别,分析Sn_4~(2-)和Ge_4~(2-)稳定性较差的原因。     

The solubility of CaMoO4(c) and an aqueous thermodynamic model for Ca2+-MoO 4 2 -ion-interactions

The solubility of powellite [CaMoO₄(c)] was studied in aqueous Na₂MoO₄, CaCl₂ and Ca(NO₃)₂ solutions ranging in concentrations from 1×10^–4M to 1.0M and over equilibration times extending to 36 days. Our experimental data were interpreted using the aqueous ion-interaction model of Pitzer and coworkers. The Ca²⁺–MoO ₄ ^2– ion-interactions were found to be analogous to Ca²⁺–SO ₄ ^2– . The use of Ca²⁺–MoO ₄ ^2– ion-interactions parameters (⁽⁰⁾=0.2, ⁽¹⁾ = 3.1973 and ⁽²⁾) and a logK _sp of –7.93 gave excellent predictions of all of the experimental data. Commonion ternary interaction parameters such as MoO ₄ ^2– –Cl^– or MoO ₄ ^2– –NO ₃ ^– were not required.