Structure and properties of the mesophase of syndiotactic polystyrene—III. Selective sorption of the mesophase of syndiotactic polystyrene

Syndiotactic polystyrene (sPS) has various crystalline forms such as α, β, γ, and δ forms, and a mesophase depending on the preparation method. In this study, we focused on the mesophase with the molecular cavity of sPS, which is obtained by step‐wise extraction of the guest molecules from the sPS δ form. To prepare the mesophase containing different shapes and sizes of the cavity, two kinds of the sPS δ form membrane cast from either toluene or chloroform solution were first prepared and then the guest molecules were removed by a step‐wise extraction method using acetone and methanol. We could succeed in the preparation of two kinds of mesophase with different shapes and sizes of the molecular cavity. Either toluene or chloroform vapor sorption to the sPS mesophase membranes was examined at 25 °C. Sorption analysis indicates that the mesophase with large molecular cavities can mainly sorb large molecules; on the other hand, the mesophase with small cavities can sorb only the small molecules, and is unable to sorb a large amount of large molecule because the cavity was too small to sorb the large molecules. Therefore, the sPS mesophase membrane has sorption selectivity based on the size of the molecular cavity. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 238–245, 2004     

Statistical thermodynamics evaluation of polymer–polymer miscibility

The Simha and Somcynsky (S–S) statistical thermodynamics theory was used to compute the solubility parameters as a function of temperature and pressure [δ = δ(T, P)], for a series of polymer melts. The characteristic scaling parameters required for this task, P*, T*, and V*, were extracted from the pressure–temperature–volume (PVT) data. To determine the potential polymer–polymer miscibility, the dependence of δ versus T (at ambient pressure) was computed for 17 polymers. Close proximity of the δ versus T curves for four miscible polymer pairs: PPE/PS, PS/PVME, and PC/PMMA signaled the usefulness of this approach. It is noteworthy, that the tabulated solubility parameters (derived from the solution data under ambient conditions) propounded the immiscibility of the PVC/PVAc pair. The computed values of δ also suggested miscibility for polymer pairs of unknown miscibility, namely PPE/PVC, PPE/PVAc, and PET/PSF. In recognizing the limitations of the solubility parameter approach (the omission of several thermodynamic contributions), these preliminary results are auspicious because they indicate a new route for estimating the miscibility of any polymeric material at a given temperature and pressure. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 42: 2909–2915, 2004     

Crystal structure of the 4-chromanone derivative.

The title compound was extracted from a natural product and its structure was characterized by an X-ray diffraction method. It crystallizes in the tetragonal space group P41 with cell parameters a = 15.832(10)A, c = 11.622(10)A, Z = 4; the final residual factor is R1 = 0.0769. The structure has both intra and intermolecular hydrogen bonds.     

Preparation and characterization of finely dispersed drugs. 5. Ethyl 3,5-di(acetylamino)-2,4,6-triiodobenzoate

Controlled precipitation of the diagnostic imaging agent ethyl 3,5-di(acetylamino)-2,4,6-triiodobenzoate has been used to produce fine particles of various sizes, morphologies, and degrees of crystallinity, which depended on experimental conditions. In addition, two distinct polymorphic forms of the drug have been fully characterized by single crystal X-ray diffraction studies, and evidence for a third polymorph was also observed. Some of the so prepared dry particles were coated with a thin layer of silica.     

The Best Lower Bound for the Permanent of a Correlation Matrix of Rank Two

If 1≤k≤n, then Cor(n,k) denotes the set of all n×n real correlation matrices of rank not exceeding k. Grone and Pierce have shown that if A∈Cor (n, n-1), then per(A)≥n/(n-1). We show that if A∈Cor(n,2), then , and that this inequality is the best possible.     

Fold‐2‐covering triangular embeddings

For a graph G and a positive integer m, G_(m) is the graph obtained from G by replacing every vertex by an independent set of size m and every edge by m² edges joining all possible new pairs of ends. If G triangulates a surface, then it is easy to see from Euler's formula that G_(m) can, in principle, triangulate a surface. For m prime and at least 7, it has previously been shown that in fact G_(m) does triangulate a surface, and in fact does so as a “covering with folds” of the original triangulation. For m = 5, this would be a consequence of Tutte's 5‐Flow Conjecture. In this work, we investigate the case m = 2 and describe simple classes of triangulations G for which G₍₂₎ does have a triangulation that covers G “with folds,” as well as providing a simple infinite class of triangulations G of the sphere for which G₍₂₎ does not triangulate any surface. © 2003 Wiley Periodicals, Inc. J Graph Theory 43: 79–92, 2003     

Three-dimensional structure of Saccharomyces cerevisiae inorganic pyrophosphatase complexed with cobalt and phosphate ions

Crystals of Saccharomyces cerevisiae inorganic pyrophosphatase suitable for X-ray diffraction study were grown by cocrystallization of the enzyme with cobalt chloride and imidodiphosphate. Saccharomyces cerevisiae is a metal-dependent enzyme which catalyzes hydrolysis of inorganic pyrophosphate to orthophosphate. The three-dimensional structure of this enzyme was solved by the molecular-replacement method and refined at 1.8 Å resolution to an R factor of 19.5%. Cobalt and phosphate ions were revealed in the active centers of both identical subunits (A and B) of the pyrophosphatase molecule. In subunit B, a water molecule was found between two cobalt ions. It is believed that this water molecule acts as an attacking nucleophile in the enzymatic cleavage of the pyrophosphate bond. It was demonstrated that cobalt ions and a phosphate group occupy only part of the potential binding sites (two chemically identical and crystallographically independent subunits have different binding sites). The arrangement of ligands and the structure of the nucleophile-binding site are discussed in relation to the mechanism of action of the enzyme and the nature of the metal activator.     

Determination of flutter derivatives via a neural network approach

A neural-network-based method is offered to determine the flutter derivatives of section models under smooth and turbulent flows. The approach uses the observed dynamic responses to train an appropriate neural network. Subsequently, the modal parameters of the model for different mean velocities of wind flow are directly estimated using weight matrices in the neural network. The flutter derivatives can then be determined accurately. The validity of the present method is verified through numerical studies. Finally, the procedure is employed to process experimental data from an inverted-U-type section model, obtained from wind tunnel tests.