Computer aided kinetic modeling with KMT and KME

The complexity of many chemical and refining reaction systems and the thus-derived tedious and time-consuming process of building the associated kinetic models have been major obstacles in the use of fundamental kinetics in the solution of chemical engineering problems. This review summarizes work aimed at removing theses obstacles. Our recent work that has led to the enhancement of the Kinetic Modeler's Toolbox (KMT) and the development of the Kinetic Model Editor (KME) presents an end-to-end solution to the kinetic modeling process, including automated feedstock modeling, reaction network construction, kinetic rate estimation, model programming, process system configurations, model customizations, compilations, model execution and results analysis.     

Syntheses and structural properties of four Rb-aluminosilicate zeolites

Four types of Rb-aluminosilicate zeolites were hydrothermally synthesized in pure phase for the first time from Rb-aluminosilicate gels without using any organic structure-directing agent (SDA) under stirring conditions. The crystal structure of each zeolite was refined by Rietveld analysis of the X-ray diffraction (XRD) data. These crystal structures were confirmed to be Rb-mordenite, Rb-merlinoite, a new aluminosilicate zeolite with an ATT framework topology, and Rb-offretite denoted by RMA-1, RMA-2, RMA-3, and RMA-4, respectively. The Si/Al ratio of RMA-1 with an MOR topology varied from 5.3 to 8.0; however, the variation of the Si/Al ratios of the other zeolites was rather small. The crystal system of RMA-2 was tetragonal with space group I4/mmm, where two Rb sites were distributed at the center of an 8-membered ring (MR). On the other hand, two Rb sites in RMA-3 were located at the center of the 8-MR in small two cages. The structure of RMA-4 was identified as the OFF type with a local disorder or defect, which included a small amount of an intergrown ERI phase.     

Novel sulfated oligosaccharides containing 3-O-sulfated glucuronic acid from king crab cartilage chondroitin sulfate K. Unexpected degradation by chondroitinase ABC

We prepared a series of oligosaccharides from king crab cartilage chondroitin sulfate K after exhaustive digestion with testicular hyaluronidase, and determined the structures of four tetrasaccharides and a pentasaccharide by fast atom bombardment mass spectrometry, high performance liquid chromatography analysis of chondroitinase AC-II digests, and 500-MHz 1H NMR spectroscopy. The tetrasaccharides shared the common core structure GlcAbeta1-3GalNAcbeta1-4GlcAbeta1-3GalNAc with various sulfation profiles. One structure was GlcAbeta1-3GalNAc(4S)beta1-4GlcAbeta1-3GalNAc(4S), whereas three of them have the following hitherto unreported structures including a novel glucuronate 3-O-sulfate: GlcA(3S)beta1-3GalNAc(4S)beta1-4GlcAbeta1-3GalNAc(4S), GlcAbeta1-3GalNAc(4S)beta1-4GlcA(3S)beta1-3GalNAc(4S), and GlcA(3S)beta1-3GalNAc(4S)beta1-4GlcA(3S)beta1-3GalNAc(4S), where 3S or 4S represents 3-O- or 4-O-sulfate, respectively. The structure of the pentasaccharide was determined as GlcA(3S)beta1-3GalNAc(4S)beta1-4GlcA(3S)beta1- 3GalNAc(4S)beta1-4GlcA. Chondroitinase ABC digestion of the tetrasaccharides with GlcA(3S) at the internal position destroyed the disaccharide unit containing GlcA(3S) derived from the reducing side and resulted in only the disaccharide unit from the non-reducing side. In contrast, these tetrasaccharides remained totally resistant to chondroitinase AC-II. The results indicated that it is necessary to reevaluate the disaccharide composition of chondroitin sulfate poly- or oligosaccharides purified from various biological sources, since they were usually determined after chondroitinase ABC digestion. It is probable that the structures containing GlcA(3S) would not have been detected.     

Effect of sulfasalazine on B cell hyperactivity in patients with rheumatoid arthritis

OBJECTIVE: We investigated the in vitro immunomodulatory effects of sulfasalazine on B cells in rheumatoid arthritis (RA). METHODS: Reversed hemolytic plaque assay and 3H-thymidine incorporation were measured. RESULTS: B cells from patients with RA showed hyperactivity to stimulation by Staphylococcus aureus Cowan I. Sulfasalazine significantly inhibited this B cell hyperactivity in a dose dependent manner. The kinetic study and a decrease in 3H-thymidine incorporation on Day 3 indicate that sulfasalazine inhibited the early phase (0-48 h) of B cell proliferation in these patients. Sulfapyridine also inhibited B cell hyperactivity in these patients, but 5-aminosalicylic acid and N-acetylsulfapyridin had no significant effect. CONCLUSION: Sulfasalazine exhibited a direct immunosuppressive effect on B cell hyperactivity in patients with RA, which may be responsible for its therapeutic effectiveness in this disorder.     

Blue electroluminescent devices withSrGa2S4:Ce for full-color display

In order to realize full-color electroluminescent (EL) displays, which are expected as a dominant candidate for the future multimedia flat panel display, blue EL devices with SrGa₂S₄:Ce have been prepared by molecular beam epitaxy (MBE). This paper proposes a novel deposition method employing Sr metal and Ga₂S₄ compound as the source materials. A single-phase SrGa₂S₄ layer is obtained in a Ga₂S₃/Sr flux ratio of 60 and at the growth temperature of 560°C. We have obtained the well-saturated blue with CIE color coordinates of x=0.14, y=0.14 and brighter blue EL devices made by optimizing the growth conditions in MBE. The maximum luminance of 70 cd/m² in comparison with the 3 cd/m₂ of our previous EL devices, is achieved at a driving frequency of 1 kHz     

An application of rapid freezing,freeze substitution–fixation for scanning electron microscopy

A combined technique of the rapid freezing, freeze substitution–fixation method and the osmium–DMSO-osmium method was devised. By this combined method we clearly observed the architecture of intracellular components in three dimensions. Morphological characteristics were generally similar to those of tissue prepared by the osmium–DMSO-osmium method but different in some respects. Mucigen droplets in intestinal goblet cells, for example, appeared as separated spheres, while in specimens prepared by chemical fixation they were observed as a mass of fused droplets. In the Golgi complex, all cisternae were extremely flat, although they usually dilated on the cis side after chemical fixation. Particles on the mitochondrial tubules of liver cells were well distinguished. They were mushroom shaped, as are those observed by negative staining. The combined method, that is, the rapid freezing, osmium–DMSO-osmium method, is thought to be effective for studying the true structure of intracellular components by scanning electron microscopy.     

Development of a Cyclogyro-Based Flying Robot With Variable Attack Angle Mechanisms

This paper presents an experimental study on the development of a cyclogyro-based flying robot with a new variable angle of attack mechanism. A cyclogyro is a flying machine supported in the air by power-driven rotors that rotate about a horizontal axis, like the paddle-wheels of a steamboat. Machines of this type have been designed by some companies but there has been no record of any successful flights. Our design starts with a new variable angle of attack mechanism with an eccentric (rotational) point in addition to a rotational point connecting to a motor. The main feature of the mechanism with the eccentric rotational point is the ability to change attack of angles in accordance with the wing positions (as determined by the rotational angles of the cyclogyro) without actuators. The design parameters (wing span, the number of wings, and eccentric distance) of the flying robot are determined through a series of experiments. Experimental results show that the cyclogyro-based flying robot with the new variable angle of attack mechanism is capable of generating sufficient lift force for flying.     

Precise rendering method for exact anti-aliasing and highlighting

This paper introduces the Precise Rendering Method, which generates accurately anti-aliased and highlighted images from tessellated polygons. The Precise Rendering Method first solves the aliasing problems of hidden surface removal by using the Cross Scanline Algorithm. This algorithm can exactly calculate polygon areas projected onto each pixel by using horizontal and vertical scanlines. Aliasing artifacts in shading are then prevented by the Reflection Intergration Method, which analytically integrates the intensity of reflection in the solid angle defined by surface normals at vertices of the projected area. Several synthesized images are created to show the efficiency of the Precise Rendering Method.     

Radiation tolerance of type IIa synthetic diamond detector for 14 MeV neutrons

Radiation tolerance of a type IIa synthetic diamond detector was examined from irradiation of mono-energetic 14 MeV neutrons. Measurements of I–V (current–voltage) characteristics and energy spectrum for 5.486 MeV alpha particles were performed after neutron irradiation. In the I–V characteristics measurement, enhancement of rectification was observed after neutron irradiation of up to 2.0 × 10¹² n/cm². Concurrently with the enhancement of rectification, significant decrease in signal amplitude was observed in energy spectrum measurement for alpha particles. It is considered that these changes were due to increase in the concentration of defects acting as shallow energy levels in the forbidden band. For neutron irradiation of higher than 1.6 × 10¹³ n/cm², weakening of the rectification characteristics and recovery of the signal amplitude were observed. These changes imply that deep energy levels, which were also considered to be introduced by defects, were dominant and weakened the effects of the shallow energy levels. Increase in the concentration of the deep trapping levels resulted in gradual decrease of the signal amplitude and degradation in the energy resolution. The peak for the alpha particles was obtained up to 5.5 × 10¹³ n/cm².