A new force field for simulating phosphatidylcholine bilayers

A new force field for the simulation of dipalmitoylphosphatidylcholine (DPPC) in the liquid‐crystalline, fluid phase at zero surface tension is presented. The structure of the bilayer with the area per lipid (0.629 nm²; experiment 0.629–0.64 nm²), the volume per lipid (1.226 nm³; experiment 1.229–1.232 nm³), and the ordering of the palmitoyl chains (order parameters) are all in very good agreement with experiment. Experimental electron density profiles are well reproduced in particular with regard to the penetration of water into the bilayer. The force field was further validated by simulating the spontaneous assembly of DPPC into a bilayer in water. Notably, the timescale on which membrane sealing was observed using this model appears closer to the timescales for membrane resealing suggested by electroporation experiments than previous simulations using existing models. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010     

Weighted differentiation composition operator from logarithmic Bloch spaces to Bloch‐type spaces

In this paper, we give a new characterization for the boundedness of weighted differentiation composition operator from logarithmic Bloch spaces to Bloch‐type spaces and calculate its essential norm in terms of the n‐th power of induced analytic self‐map on the unit disk. From which a sufficient and necessary condition of compactness of this operator follows immediately.     

Self-assembly and characterization of Ca-Al-LDH nanohybrids containing casein proteins as guest anions

Casein, a natural biopolymer contained in milk, has been successfully intercalated into a Ca-Al-LDH host structure. Synthesis was performed by rehydration of tricalcium aluminate in the presence of casein. The resulting nanohybrids were characterized by powder X-ray diffraction (XRD), elemental analysis, infrared spectroscopy (IR), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Further experiments revealed that the single protein strains intercalate instead of the entire casein sub micelles, which are present in milk. Additionally, the pure phospho protein fractions α- and β-casein, which make up ∼80 wt% of total casein were isolated and intercalated into the Ca-Al-LDH host structure, yielding a biopolymer-inorganic hybrid material.     

The effect of aminoalcohols (MEA, DEA and TEA) on morphological control of nanocrystalline ZnO powders and its optical properties

The potential of using encapsulation by MEA, DEA and TEA to control the morphology of ZnO powders was investigated. The crystallite and particle size decreased as a function of aminoalcohol concentration. We found that aminoalcohols can inhibit the crystal growth of ZnO along the c-axis. A steric effect by TEA more strongly influenced the formation of different ZnO shapes than did MEA and DEA. The value of the band gap was dependent on the crystallite size, particle size and particle shape.     

Error bounds for minimal energy bivariate polynomial splines

Summary. We derive error bounds for bivariate spline interpolants which are calculated by minimizing certain natural energy norms. Received March 28, 2000 / Revised version received June 23, 2000 / Published online March 8, 2002 RID="*" ID="*" Supported by the National Science Foundation under grant DMS-9870187 RID="**" ID="**" Supported by the National Science Foundation under grant DMS-9803340 and by the Army Research Office under grant DAAD-19-99-1-0160     

Analytic continuation for Beltrami systems, Siegel's Theorem for UQR maps, and the Hilbert-Smith Conjecture

A uniformly quasiregular mapping, is a mapping of the m-sphere with the property that it and all its iterates have uniformly bounded distortion. Such maps are rational with respect to some bounded measurable conformal structure and there is a Fatou-Julia type theory associated with the dynamical system obtained by iterating these mappings. We begin by investigating the analogue of Siegel's theorem on the local conjuga cy of rotational dynamics. We are led to consider the analytic continuation properties of solutions to the highly nonlinear first order Beltrami systems. We reduce these problems to a central and well known conjecture in the theory of transformation groups; namely the Hilbert-Smith conjecture, which roughly asserts that effective transformation groups of manifolds are Lie groups. Our affirmative solution to this problem then implies unique analytic continuation and Siegel's theorem. Received: 14 September 2000 / Revised version: 23 November 2001 / Published online: 5 September 2002 RID="*" ID="*" Research supported in part by grants from the Marsden Fund and Royal Society (NZ).     

Small compact perturbation of strongly irreducible operators

An operatorT onH is called strongly irreducible ifT is not similar to any reducible operators. In this paper, we shall say yes to answer the following question raised by D. A. Herrero.Given an operatorT with connected spectrum (T) and a positive number , can we find a compact operatorK with K < such thatT+K is strongly irreducible?Supported by National Natural Science Foundation of China(19901011), Mathematical Center of State Education Commission of China and 973 Project of China