邻-甲氧基苯酚和α-,β-环糊精包合现象的理论与实验研究

通过紫外可见光谱法考察了水溶液中邻-甲氧基苯酚(o-Mop)和α-与β-环糊精(CD)的分子间相互作用, 利用Hildebrand-Benesi方程给出了两个包合物的稳定常数(K_s). 采用半经验PM3方法研究了α-,β-CD和o-Mop及其类似物苯酚(Phe)、丁香酚(Eug)之间的包络作用, 阐述了这些主客体包合作用过程中体系能量随主客体相对位置改变而变化的细节, 据此推断出主-客体包合物可能的分子结构, 计算了包合物的稳定化能(ΔE_s). 研究结果表明, 本文所选主客体体系而言, 当客体和同一种主体分子作用时, 超分子包合物的ΔE_s随着客体分子苯环上取代基团数目的增多而增加. 基于PM3方法优化得到的主-客体包合物在真空中的分子结构和通过实验方法在水溶液中测定的结构一致.     

Protein surface area and retention in hydrophobic interaction chromatography

Summary Molecular surface areas accessible to a 4 ? diameter spherical probe were calculated from crystallographic data for five proteins: α-chymotrypsinogen A, lysozyme, trypsinogen, ribonuclease A and ribonuclease S. The retention factors of various proteins were measured on stationary phases having polyether- and phenylligates and with aqueous eluents containing (NH₄)₂SO₄, Na₂SO₄ or NaCl at pH 7.0. The logarithmic retention factors were plotted against the salt molality and the hydrophobic interaction parameters evaluated from the limiting slopes of the plots at high salt concentrations for the proteins in the chromatographic systems investigated. The hydrophobic interaction parameters thus obtained were linear in both the molecular surface areas of the proteins and the molal surface tension increments of the salts. The experimental results obtained with these relatively simple proteins of known molecular structure, which were available in high purity, support earlier theoretical predictions for the dependence of the hydrophobic interaction parameter on the surface area of the protein and the surface tension raising effect of the salt.     

Interactions between octyl-β-D-glucoside and α-amino acids or small peptides

The interactions between octyl--D-glucoside and glycine in water have been investigated by surface tension, viscosity, and density measurements. The results show that the -amino acid causes an unexpected lowering of the critical micellar concentration of octyl--D-glucoside. Such a finding has been interpreted in temss of dipole-dipole interactions between the hydrophilic site of the surfactant and the peptidic cosluttes. From three to seven amino acid molecules have been estimated to be coordinated with each glucoside unity in the micellar state. The research has been extended to glycine oligopeptides and L-lysine. The latter compound has effects similar to those observed with glycine whereas diglycine and triglycine show weaker effects on the micellization process.     

Self-avoiding walks and trees in spread-out lattices

LetG _R be the graph obtained by joining all sites ofZ ^d which are separated by a distance of at mostR. Let (G _R ) denote the connective constant for counting the self-avoiding walks in this graph. Let (G _R ) denote the coprresponding constant for counting the trees embedded inG _R . Then asR, (G _R ) is asymptotic to the coordination numberk _R ofG _R , while (G _R ) is asymptotic toek _R. However, ifd is 1 or 2, then (G _R )-k _R diverges to –.Dedicated to Oliver Penrose on this occasion of his 65th birthday.     

The strong coupling constant: Its theoretical derivation from a geometric approach to hadron structure

Since more than a decade, abi-scale, unified approach to strong and gravitational interactions has been proposed, that uses the geometrical methods of general relativity, and yielded results similar to strong gravity theory's. We fix our attention, in this note, on hadron structure, and show that also the strong interaction strength _S, ordinarily called the (perturbative) coupling-constant square, can be evaluated within our theory, and found to decrease (increase) as the distancer decreases (increases). This yields both the confinement of the hadron constituents (for large values ofr) and their asymptotic freedom (for small values ofr inside the hadron): in qualitative agreement with the experimental evidence. In other words, our approach leads us, on a purely theoretical ground, to a dependence of _S onr which had been previously found only on phenomenological and heuristic grounds. We expect the above agreement to be also quantitative, on the basis of a few checks performed in this paper, and of further work of ours on calculating meson mass spectra.     

Constrained minima of nonlocal free energy functionals

We consider variational problems involving nonlocal free energy functionals that arise from Gibbs measures with Kac potentials and are related to the characterization of the optimal (i.e., typical) shape of an interface under given constraints on the magnetization profile.     

Estimates of logarithmic Sobolev constat for finite-volume continuous spin systems

LetM be a compact, connected Riemannian manifold (with or without boundary); we study the logarithmic Sobolev constant for stochastic Ising models on . Let {} be a sequence of cubes inZ ^d ; we show that the logarithmic Sobolev constant for the finite systems onM ^A shrinks at most exponentially fast in ||^(d-1)/d (d2), which is sharp in order for the classical Ising models withM=[–1, 1]. Moreover, a geometrical lemma proved by L. E. Thomas is also improved.     

Surface tension in Ising systems with Kac potentials

We consider an Ising spin system with Kac potentials in a torus of ^d,d>-2, and fix the temperature below its Lebowitz-Penrose critical value. We prove that when the Kac scaling parameter vanishes, the log of the probability of an interface becomes proportional to its area and the surface tension, related to the proportionality constant, converges to the van der Waals surface tension. The results are based on the analysis of the rate functionals for Gibbsian large deviations and on the proof that they -converge to the perimeter functional of geometric measure theory (which extends the notion of area). Our considerations include nonsmooth interfaces, proving that the Gibbsian probability of an interface depends only on its area and not on its regularity.     

On the two-dimensional stochastic Ising model in the phase coexistence region near the critical point

We consider the two-dimensional stochastic Ising model in finite square with free boundary conditions, at inverse temperature >₀ and zero external field. Using duality and recent results of Ioffe on the Wulff construction close to the critical temperature, we extend some of the results obtained by Martinelli in the low-temperature regime to any temperature below the critical one. In particular we show that the gap in the spectrum of the generator of the dynamics goes to zero in the thermodynamic limit as an exponential of the side length of , with a rate constant determined by the surface tension along one of the coordinate axes. We also extend to the same range of temperatures the result due to Shlosman on the equilibrium large deviations of the magnetization with free boundary conditions.     

Classical verigin problem as a limit case of verigin problem with surface tension at free boundary

In this psper we consider Verigin problem with surface tension st free