A probabilistic simulator for population dynamics of quasispecies

We constructed a probabilistic simulator that allows all the events in population dynamics such as death, birth, mutation, and suppression/stimulation to be described by probabilistic rules. The simulator also facilitates a lattice used for expressing distribution and diversity (number of distinct strains) of quasispecies. The simulator is used to investigate the diversity threshold in HIV and T-cell interaction. This work was presented in part at the 13th International Symposium on Artificial Life and Robotics, Oita, Japan, January 31–February 2, 2008     

Effects of support and additive on oxidation state and activity of Pt catalyst in propane combustion

The effects of support and additive on the oxidation state and catalytic activity of Pt catalyst in the low temperature propane combustion were systematically investigated on Pt/MgO, Pt/Al₂O₃ and Pt/SiO₂–Al₂O₃. The catalytic activity varied much with both support materials and additives. The catalyst on the more acidic support showed higher activity, and the catalytic activity on every support materials increased as the electronegativity of additives increased, while some additives decreased the activity. The oxidation state of platinum, estimated by white line intensity of Pt L_III-edge XANES spectrum, also varied with the support and additives, and additives with higher electronegativity greatly prevented the platinum from its oxidation under oxidising atmosphere. Among almost all the catalysts with various supports and various additives, a clear relationship was observed between the oxidation state of platinum and the catalytic activity; the more metallic platinum showed higher activity. Thus, it was concluded that the total electrophilic/electrophobic property derived from those of the support and additive controls the oxidation state of platinum, which intensively affects the catalytic activity; i.e. higher electrophilic property provides less oxidised platinum, resulting in high catalytic activity. The mechanism of this effect was also discussed on the basis of thermochemical data, and it was proposed that the electrophobic materials promote the noble metal oxidation since the noble metal oxo-anion such as PtO^δ− is more stabilised with electrophobic cation.     

Potential bile acid metabolites. 24. An efficient synthesis of carboxyl-linked glucosides and their chemical properties

A facile and efficient synthesis of the carboxyl-linked glucosides of bile acids is described. Direct esterification of unprotected bile acids with 2,3,4,6-tetra-O-benzyl-d-glucopyranose in pyridine in the presence of 2-chloro-1,3,5-trinitrobenzene as a coupling agent afforded a mixture of the α- and β-anomers (ca. 1∶3) of the 1-O-acyl-d-glucoside benzyl ethers of bile acids, which was separated effectively on a C₁₈ reversedphase chromatography column (isolated yields of α- and β-anomers are 4–9% and 12–19%, respectively). Subsequent hydrogenolysis of the α- and β-acyl glucoside benzyl ethers on a 10% Pd−C catalyst in acetic acid/methanol/EtOAc (1∶2∶2, by vol) at 35°C under atmospheric pressure gave the corresponding free esters in good yields (79–89%). Chemical specificities such as facile hydrolysis and transesterification of the acyl glucosides in various solvents were also discussed.     

Dynamic hybridization of MILES and RANS for predicting airfoil stall

Hybridization comprised of an algebraic turbulence model based on the Reynolds average Navier-Stokes (RANS) equations with a monotonically integrated large eddy simulation (MILES) is proposed to simulate transient fluid motion during separation and vortex shedding at high Reynolds numbers. The proposed hybridization utilizes the Baldwin-Lomax model with the Degani-Schiff modification as the RANS model in the near-wall region and a MILES far from the wall. Although the hybridization is assumed to be a MILES with wall modeling, the transition line between the RANS and the MILES modes is determined by the turbulent intensity that is dominated by the large eddies in the grid-scale. This hybrid model is applied to the flows past three different types of airfoils (NACA63₃-018, NACA63₁-012 and NACA64A-006) near stall, at a chord Reynolds number of Re = 5.8 × 10⁶. These airfoils are classified as trailing-edge-stall, leading-edge-stall and thin-airfoil-stall airfoils, respectively. The computed results are compared with wind tunnel experiments. The hybrid model successfully demonstrates accurate stall angle and surface pressure distribution predictions near the stall for each type of airfoil. The airfoil simulation results confirmed that the hybrid model provides a better prediction than the RANS model for unsteady turbulent flows with separation and vortex shedding simulations.     

Antibody-based computing: an application to the stable marriage problem

Antibodies, among other things, are important components of the immune system. This paper proposes using the specific recognition capability exhibited by antibodies for computation, in particular, for solving the stable marriage problem, which has been studied as a combinatorial computational problem. Antibody-based computation is proposed by integrating the recognition capabilities of antibodies. The computation is carried out on an array form that is suitable not only for expressing stable marriage problems, but also for further integration to antibody microarrays. This work was presented in part at the 12th International Symposium on Artificial Life and Robotics, Oita, Japan, January 25–27, 2007     

Time-dependent thermal convection in dilute solutions of 3He in superfluid 4He

Time-dependent thermal convection can occur in a unity-aspect-ratio Rayleigh-Beard convection cell containing a dilute solution of ³He in superfluid ⁴He when the fluid is heated from above. Results are presented primarily for a 0.24 mole % He solution at 0.925 K. Means is provided for introducing heat at the top and separately for a central plug and an outer ring such that both are at a constant temperature gDT above the bottom. A critical temperature difference T _cfor convection can be defined above which both steady and time-dependent convection occur. The time-dependent effects include a region of T. near T _cand characterized only by excessive noise, a region of somewhat higher T where there are intermittent major changes in the plug heating rate with a time distribution like that for random events, and a region at still higher T where periodic but nonsinusoidal variation of the heat flow is observed. When a long enough time, several months, has elapsed after cooling down the apparatus, time-dependent states no longer occur, and the heat flow above T _cis limited to steady convection. Briefly raising the temperature of the apparatus to 77 K is sufficient to restore the possibility of time-dependent states.     

高质量密度储氢材料-氨基化合物的合成

采用真空蒸发法制备了氨基化锂LiNH2(+2·LiH)薄膜,即首先将Li真空镀膜到金属基板上,然后经氮化、氢化处理合成LiNH2薄膜.此外,真空蒸发法也用于Mg部分置换Li后薄膜的制备.实验结果证明,与传统的粉末状试样相比,薄膜状试样能够在更低的温度下释放出氢气.研究表明采用包括真空蒸发法等非传统方法合成金属络合物储氢材料对进一步提高其储放氢特性具有良好的效果.     

Micro Textures in Concentrated-Conformal-Contact Lubrication: Effect of Distribution Patterns

Micro-scale textures may be engineered into surfaces for lubrication performance improvement. It is expected that a carefully chosen texture helps retain lubricant and enhances the hydrodynamic effect at the interface. The concept of model-based virtual texturing enables textured surfaces to be generated and “tested” through numerical simulations. This paper reports virtual texturing and simulation of a group of textured surfaces in a lubricated concentrated contact. The focus of the study is on the selection of texture distribution patterns based on their lubrication performance. Patterns of fishbone, sinusoidal, triangular, and honeycomb distributions have been investigated. The effects of texture direction, orientation angle, feature continuity, and aspect ratio are also studied. The results indicate that, for the given material and geometry system under the given conditions in the present work, the textures generating the strongest hydrodynamic lifting are short grooves with a small aspect ratio and sinusoidal waves of a small wavelength/amplitude ratio propagating in the motion direction.     

Improved electrochemical activity of LiMnPO4 by high-energy ball-milling

Olivine lithium manganese phosphate (LiMnPO₄) becomes research focus because of its high energy density and improved thermal stability. However, its application in lithium ion batteries suffers severely from poor electrochemical activity due to low conductivity and structural instability upon the charge and discharge process. By applying a high-energy ball-milling method we succeed in improving the capacity delivery and rate capability. LiMnPO₄ materials ball-milled without or with acetylene black are able to deliver a high capacity of 135 and 127 mAh g⁻¹, respectively, more than 50% greater than the pristine one. Particularly, the latter also shows an improved discharge plateau and stable cyclability. High-energy synchrotron radiation X-ray diffraction (XRD), scanning electron microscopy (SEM), Raman spectroscopy, laser particle analysis, and galvanostatic charge and discharge are employed to understand the effect of ball-milling on the LiMnPO₄ material.