Nanoscale molecular cavity in crystalline polymer membranes studied by molecular dynamics simulation

The size, shape, and connectivity of cavities in the crystals of syndiotactic polystyrene were investigated by molecular dynamics simulation. Cluster analysis of the free volume in the crystals clearly reveals the cavity structures: large individual holes are in an orderly manner connected by narrow channels. We call such a cavity structure a ‘molecular cavity’. The diffusion behavior and solubility of gases in the molecular cavity were also simulated. The extremely high solubility of a larger gas and the controllable diffusion path in the narrow channels proved the applicability of the concept of the molecular cavity to high performance separation membranes.     

Method for Calculation of Sky Light Luminance Aiming at an Interactive Architectural Design

Recently, computer graphics are frequently used for both architectural design and visual environmental assessment. Using computer graphics, designers can easily compare the effect of the natural light on their architectural designs under various conditions, such as different times of day, seasons, atmospheric conditions (clear or overcast sky) or building wall materials. In traditional methods of calculating the luminance due to sky light, however, all calculation must be performed from scratch if such conditions undergo change. Therefore, to compare the architectural designs under different conditions, a great deal of time has to be spent on generating the images. This paper proposes a new method of quickly generating images of an outdoor scene, taking into account glossy specular reflection, even if such conditions change. In this method, luminance due to sky light is expressed by a series of basis functions, and basis luminances corresponding to each basis function are precalculated and stored in a compressed form in the preprocess. Once the basis luminances are calculated, the luminance due to sky light can be quickly calculated by the weighted sum of the basis luminances. Several examples of an architectural design demonstrate the usefulness of the proposed method.     

Skylight for Interior Lighting Design

It is inevitable for indoor lighting design to render a room lit by natural light, especially for an atelier or an indoor pool where there are many windows. This paper proposes a method for calculating the illuminance due to natural light, i.e. direct sunlight and skylight, passing through transparent planes such as window glass. The proposed method makes it possible to efficiently calculate such illuminance accurately, because it takes into account both non-uniform luminous intensity distribution of skylight and the distribution of transparency of glass according to incident angles of light. Several examples including the lighting design in an indoor pool, are shown to demonstrate the usefulness of the proposed method.     

Experiments and Predictions of Soil Desaturation by Air-Injection Technique and the Implications Mediated by Multiphase Flow Simulation

Measures preventing an earthquake-induced soil liquefaction are of significant importance to mitigate the liquefaction hazards. An air-injection technique may be a simple, inexpensive method - this leads the saturated soils to the desaturated by injecting pressurized air, resulting in a higher liquefaction strength and lower susceptibility. The objective of this study is to investigate the evolution of desaturation process during air injection into saturated soil deposits and verify the validity of a multiphase flow simulator if it is capable of being applied for predicting the process as well as the distribution of degree of saturation after the air injection ceased. In this study simplified model tests that simulate the air injection into saturated soils using air-injection probes, are conducted using two different sizes of soil containers. The experiments using the small container are aimed to examine the nominal rates and magnitudes of the soil desaturation driven by air injection, whilst those with the large container are performed to obtain not only the rates and magnitudes but also the distributions of the desaturated zones within the soil. The results obtained indicate, although clearly depending on the physical properties of targeted soils, that the evolution of desaturation is strongly controlled by the air pressures injected and the soil permeabilities. Numerical analyses are also conducted using a multiphase flow simulator to describe the evolution of the soil desaturation, and to examine the applicability of the model as a prediction tool enabling an evolution of desaturation in situ to be followed with time and space. Predictions show a relatively good agreement with the experimental measurements regarding the rates, magnitudes, and distribution of desaturation specifically for the small-container experiments although predictions of desaturated domain slightly overestimate the measurements for the large-container experiments. Thus, this study indicates that the numerical model described is applicable to field problems when the soil properties in terms of flow transport are well-constrained.     

Factors influencing the equilibrium grain size in equal-channel angular pressing: Role of Mg additions to aluminum

Experiments were undertaken to compare the equal-channel angular (ECA) pressing of Al-1 pct Mg and Al-3 pct Mg solid-solution alloys with pure Al. The results reveal both similarities and differences between these three materials. Bands of subgrains are formed in all three materials in a single passage through the die, and these subgrains subsequently evolve, on further pressings through the die, into an array of grains with high-angle boundaries. However, the addition of magnesium to an aluminum matrix decreases the rate of recovery and this leads, with an increasing Mg content, both to an increase in the number of pressings required to establish a homogeneous microstructure and to a decrease in the ultimate equiaxed equilibrium grain size. It is concluded that alloys exhibiting low rates of recovery should be especially attractive candidate materials for establishing ultrafine structures through grain refinement using the ECA pressing technique.     

Human erythrocyte bisphosphoglycerate mutase: inactivation by glycation in vivo and in vitro

2,3-Bisphosphoglycerate mutase (BPGM) [EC 5.4.2.4] is a multifunctional enzyme that catalyzes both the synthesis and the degradation of 2,3-diphosphoglycerate (2,3-DPG) and contains three types of activities in that it functions as a 2,3-DPG synthetase, a phosphoglycerate mutase and a 2,3-DPG phosphatase. In humans, BPGM occurs only in erythrocytes and plays a pivotal role in the dissociation of oxygen from hemoglobin via 2,3-DPG. The present study shows that the specific activity of BPGM in erythrocytes of diabetic patients is decreased, compared to normal controls as judged by 2,3-DPG synthetase activity and immunoreactive contents. To understand the mechanism by which the enzyme is inactivated, the enzyme was purified from pooled erythrocytes from diabetic patients and subjected to a boronate affinity column. The flow through fraction was active while the bound fraction was completely inactive. The bound fraction was reactive to an anti-hexitollysine antibody, indicating that the enzyme had undergone glycation and inactivation. The primary glycated site of the enzyme was found to be Lys158 as judged by amino acid sequencing and the reactivity with an anti-hexitollysine IgG, after reverse-phase HPLC of the lysyl-endopeptidase-digested peptides. Extensive glycation of recombinant BPGM in vitro indicated that the glycation sites were Lys2, Lys4, Lys17, Lys42, Lys158, and Lys196. From these results, the loss of enzymatic activity appears to be due to the glycation of Lys158 which may be located in the vicinity of the substrate binding site.     

Ring-chain competition kinetics in the system glycerol/adipic acid

The spanning tree model' (utilising Gaussian-flight statistics) for the kinetics of simultaneous ring-chain competition in linear and branched polycondensation reactions has been extended by the use of the path weighting method of cascade statistics to the system glycerol/adipic acid. In this system there is no single fixed increment in ring sizes as more units are added to the ring-closing path, since a glycerol unit incorporated through the reaction of its two primary hydroxyls contributes a longer increment to the path length than when one primary and one secondary hydroxyl are involved. A computational method has been developed to count, as the reaction proceeds, the mean number of paths of all lengths available for forming a cycle back to a given root functionality, with each path receiving the correct Gaussian weight according to its length.