The lattice dynamics of the Fe(tpa) (NCS)2 complex : light-induced excited spin state trapping effect

A light-induced excited spin state trapping (LIESST) experiment for a thermal gradual spin crossover complex, Fetris (2-pyridylmethyl) amine(NCS)2 or Fe(tpa) (NCS)2, was attempted for the first time. The high spin (HS) state after light inducement stayed metastable over a period of days without relaxation at 10 K. Intersystem relaxation from a high to a low spin (LS) complex occurred at 50 K after bleaching at 10 K. Investigation of the Mossbauer spectra of the LIESST and relaxation experiment indicated that the Debye–Waller factor was a correlation parameter of the HS fraction and that the co-operative effect played a role in the relaxation process for such a solid compound. This revised version was published online in November 2006 with corrections to the Cover Date.     

STRESS INTENSITY FACTORS AND WEIGHT FUNCTIONS FOR SEMI-ELLIPTICAL SURFACE CRACKS IN FINITE-THICKNESS PLATES UNDER TWO-DIMENSIONAL STRESS DISTRIBUTION

Abstract— A Fourier series approach is proposed to calculate stress intensity factors using weight functions for semi-elliptical surface cracks in flat plates subjected to two-dimensional stress distributions. The weight functions were derived from reference stress intensity factors obtained by three-dimensional finite element analyses. The close form weight functions derived are suitable for the calculation of stress intensity factors for semi-elliptical surface cracks in flat plates under two-dimensional stress distributions with the crack aspect ratio in the range of 0.1 ≤ a/c ≤ 1 and relative depth in the range of 0 ≤ a/t ≤ 0.8. Solutions were verified using several two-dimensional non-linear stress distributions; the maximum difference being 6%.     

On the reliability of Landsat TM for estimating forest variables byregression techniques: a methodological analysis

In order to build models that relate thematic mapper (TM) imagery to field forest variables, several regression techniques, such as the ones based on the Mallows' C_p and the adjusted R² statistics, were applied. Nevertheless, although the best created models had good fittings (R²>0.65) apparently supported by a clear statistical significance (p<0.0001), later trials tested with additional plots showed that these models were, in fact, nonrobust models (models with very low-predictive capabilities). Two factors were pointed out as causes of these inconsistencies between predicted and observed values: a relatively small number of available field plots and a relatively high number of possible independent variables. Actually, different trials suggested much lower fittings for the expected “really” predictive models. Some restrictions of TM satellite data, such as its radiometric, spectral, and spatial limitations, together with restrictions arising from gathering and processing of field data, might have led to these poor relations. This study shows the need for guarantees stronger than the usual ones before concluding that there is a clear possibility of using satellite information to estimate forest parameters by means of regression techniques     

Suppressive effect of corticosteroids on the gene expression of interleukin-5 and eosinophil activation in asthmatics

Although cortico steroids are effective anti-inflammatory agents in ameliorating asthma symptoms and bronchial hperreactivity, their mechanism of action is unknown. Interleukin (IL)-5 is known to play a key role in regulating eosinophil proliferation and activation. Therefore, we examined the changes of IL-5 mRNA expressions in PBMC semi-quantitatively with RT-PCR as well as serum ECP levels and MCH-PC20 values in asthmatics before and after being treated with corticosteroids. The results revealed that there were significant decrease in the level of IL-5 mRNA and serum ECP concentration after therapy (P < 0.05) and there was remarkable improvement in the values of MCH-PC20 and FEV1% (P < 0.05). It was also found that the changes of serum ECP levels or MCH-PC20 values were accompanied by a reduction in IL-5 mRNA expression (r = 0.5426 or 0.4857, P < 0.05). These results suggested that the therapeutic effects of corticosteroids in asthma may result from modulation of IL-5 gene expression with consequent inhibition of eosinophil activation.     

Magnetization and rotation of MTG HTSC ring in magnetic field

The magnetization of a melt-texture growth (MTG) HTSC ring has been studied. It is shown that the magnetic field inside the ring is larger than the external field under a certain range of external magnetic fields. We have also investigated the magnetic field dependence of the response of a detective coil near a rotating superconducting ring. The responses of the MTG sample are different for different cooling methods.     

The zinc-rich corner of the Zn-Fe-Ni-Si quaternary system at 450 °C

Following up on recent studies of the Zn-rich corners of the Zn-Fe-Ni and Zn-Fe-Si ternary systems, a 450 °C isothermal section of the Zn-Fe-Ni-Si quaternary phase diagram with the Zn composition being fixed at 93 at.% was determined experimentally using optical microscopy, scanning electron microscopy (SEM) coupled with energy dispersive x-ray spectroscopy (EDS), and x-ray diffractometry (XRD). FeSi was found to be in equilibrium with almost all phases in the section, including the T, ζ, Ni-δ, NiSi₂, and FeSi₂ phases, as well as the liquid phase (L). Silicon solubilities in the T, ζ, and Ni-δ phases were rather limited. However, the solubilities of Fe and Zn in the NiSi₂ phase, at 4.5 at.% and 7.2 at.%, respectively, were appreciable. The existence of the (L+NiSi₂+Ni-δ) three-phase equilibrium state apparently prevents other Ni-Si compounds from entering equilibrium with the liquid at 450 °C. No true quaternary compound was found in the study.     

Evolutionary algorithms and de novo peptide design

One of the goals of computational chemistry is the automated de novo design of bioactive molecules. Despite significant progress in computational approaches to ligand design and efficient evaluation of binding energy, novel procedures for ligand design are required. Evolutionary computation provides a new approach to this design issue. This paper presents an automated methodology for computer-aided peptide design based on evolutionary algorithms. It provides an automatic tool for peptide de novo design, based on protein surface patches defined by user. Regarding the restrictive constrains of this problem a special emphasis has been made on the design of the evolutionary algorithms implemented.     

用仿真工具优化车辆动力系统(一)

在本文的第一部分，介绍了一种理想的车辆动力系统的计算机辅助开发过程。它显示了现代仿真技术在产品持续发展过程中的作用，该技术采用硬件回路作非在线的仿真，并通过现代化的试验手段对车辆进行匹配。特别重要的是提供了将电控变速器和发动机控制单元综合的可能性。接着是在线仿真在诸如发动机和变速器模式方面的应用和发展，它是上述开发过程的基础。根据上述的方法论，本文论述了仿真技术已取得的成绩和将来的应用可能性。     

Analog VLSI model of binaural hearing

The stereausis model of biological auditory processing is proposed as a representation that encodes both binaural and spectral information in a unified framework. A working analog VLSI chip that implements this model of early auditory processing in the brain is described. The chip is a 100000-transistor integrated circuit that computes the stereausis representation in real time, using continuous-time analog processing. The chip receives two audio inputs, representing sound entering the two ears, computes the stereausis representation, and generates output signals that can directly drive a color CRT display. Outputs from the chips for a variety of artificial and speech stimuli are shown.