Sensitivity of shear rate in artificial grafts using automatic differentiation

An accurate numerical simulation of blood requires the solution of incompressible Navier–Stokes equations coupled with specific constitutive models. We consider a generalized Newtonian fluid model in which viscosity depends on shear rate, accounting for the shear‐thinning behavior of blood. Previous work on the design of an artificial graft indicated that there is an influence of the fluid model on the solution of the partial differential equation‐constrained shape optimization problem. Therefore, we carry out a sensitivity analysis of the actual implementation of the flow solver using automatic differentiation (AD). We compare the sensitivities of shear rate with respect to viscosity for different configurations and validate the truncation‐error‐free sensitivities obtained from AD with those based on divided differencing and, if available, with analytic derivatives. Copyright © 2009 John Wiley & Sons, Ltd.     

Effect of random perturbations on adaptive observation techniques

An observation sensitivity (OS) method to identify targeted observations is implemented in the context of four‐dimensional variational (4D‐Var) data assimilation. This methodology is compared with the well‐established adjoint sensitivity (AS) method using a nonlinear Burgers equation as a test model. Automatic differentiation software is used to implement the first‐order adjoint model (ADM) to calculate the gradient of the cost function required in the 4D‐Var minimization algorithm and in the AS computations and the second‐order ADM to obtain information on the Hessian matrix of the 4D‐Var cost that is necessary in the OS computations. Numerical results indicate that the observation‐targeting is particularly successful in reducing the forecast error for moderate Reynolds numbers. The potential benefits of the OS targeting approach over the AS are investigated. The effect of random perturbations on the performance of these adaptive observation techniques is also analyzed. Copyright © 2011 John Wiley & Sons, Ltd.     

Convergence of the variable two-step BDF time discretisation of nonlinear evolution problems governed by a monotone potential operator

The initial-value problem for a first-order evolution equation is discretised in time by means of the two-step backward differentiation formula (BDF) on a variable time grid. The evolution equation is governed by a monotone and coercive potential operator. On a suitable sequence of time grids, the piecewise constant interpolation and a piecewise linear prolongation of the time discrete solution are shown to converge towards the weak solution if the ratios of adjacent step sizes are close to 1 and do not vary too much.      

Cu2+和Cu+对原代培养的小鼠成骨细胞增殖、分化和钙化的影响

利用噻唑蓝(MTT)法、碱性磷酸酶(ALP)比活性测定、油红O染色和矿化结节染色及定量分析,研究了Cu²⁺和Cu⁺对原代培养的成骨细胞增殖、分化及钙化的影响。结果显示：Cu²⁺(1×10^-9~1×10^-6 mol·L^-1)促进成骨细胞增殖,随时间延长,促进作用变弱。Cu⁺(1×10^-7~1×10^-5 mol·L^-1)抑制成骨细胞增殖,随时间延长,浓度为1×10^-6 mol·L^-1的Cu⁺为促进作用,其余浓度则没有影响。对于成骨细胞分化,Cu²⁺和Cu⁺表现出相似的影响,浓度为1×10^-9和1×10^-6 mol·L^-1时均促进成骨细胞分化,而当浓度为1×10^-7和1×10^-5 mol·L^-1时,则抑制成骨细胞分化,随作用时间延长,大多数浓度均表现为促进作用。测试浓度下的Cu²⁺和Cu⁺均对成骨细胞向脂肪细胞的横向分化表现为促进效应。对矿化功能的影响,1×10^-5 mol·L^-1的Cu²⁺和Cu⁺表现出显著的抑制效应,但随浓度降低,抑制效应变弱。1×10^-7 mol·L^-1的Cu²⁺ 促进成骨细胞矿化结节的形成。结果提示：作用浓度、作用时间及铜离子的价态都是影响Cu²⁺和Cu⁺生物效应转变(从毒性到活性,从损伤到保护,从下调到上调)的关键因素。     

Study of the characteristic fragmentation behavior of hydroquinone glycosides by electrospray ionization tandem mass spectrometry with optimization of collision energy

The fragmentation behavior of hydroquinone glycosides involving one or two sugar groups from Fraxinus sieboldiana and their analogue arbutin was investigated systematically by electrospray ionization tandem mass spectrometry in negative ion mode. The characteristic fragmentation reaction of these compounds was through the homolytic and heterolytic cleavage of the O‐glycosidic bond to produce radical aglycone ion ([Y₀ ? H]^??) and aglycone ion (Y₀^?), respectively. Unambiguous differentiation between the mono‐O‐glycoside isomers which differ in glycosylation position was achieved by comparing the relative abundance of [Y₀ ? H]^?? and Y₀^? ions with the optimized collision energy. In the fragmentation of 1, 4‐di‐O‐glycosides, only the Y₀^? ion was produced when the first glucosyl residue was expelled. However, both the [Y₀ ? H]^?? and Y₀^? ions were present when the second glucosyl residue was eliminated. In addition, an interesting [Y₀‐2H]^? ion was present in the product ion spectra of hydroquinone glycosides with methoxy group(s) substituted at C‐3 or/and C‐5 positions of the benzene ring. The results of this study can facilitate the rapid determination of hydroquinone glycosides in crude plant extracts and also reveal that the systematic investigation and optimization of collision energy play an important role in the differentiation of isomers which have subtle differences in structures. Copyright © 2009 John Wiley & Sons, Ltd.     

Necessary conditions for super minimizers in constrained multiobjective optimization

This paper concerns the study of the so-called super minimizers related to the concept of super efficiency in constrained problems of multiobjective optimization, where cost mappings are generally set-valued. We derive necessary conditions for super minimizers on the base of advanced tools of variational analysis and generalized differentiation that are new in both finite-dimensional and infinite-dimensional settings for problems with single-valued and set-valued objectives.      

基于模糊的投影寻踪算法在中医证候分类中的应用

本文提出一种新的聚类算法-基于模糊的投影寻踪算法,可以有效的处理医学中常常遇到的高维混合数据的模糊聚类问题.并将其应用在慢性肾衰的辩证分析问题中,为已有的慢性肾衰证候的分型标准提供科学支持.本文的研究方法为中医辩证的现代化研究开拓了新的思路,值得进一步深入探讨。     

基于天然产物的白血病细胞分化机制的化学生物学研究

天然产物由于具有结构多样性和新颖性,具有独特的生理活性和新的作用机制,因此是开展化学生物学研究的重要工具,同时也是创新药物和先导化合物的重要来源.最近,我们研究发现天然活性化合物腺花素能够在体内和体外诱导维甲酸敏感和耐药的急性粒细胞性白血病细胞发生分化,有效延长白血病小鼠生存时间.在此基础上,以腺花素为分子探针,＂垂钓＂其潜在的靶分子,结果发现腺花素特异性靶向过氧化还原酶（Peroxiredoxin）Ⅰ//Ⅱ蛋白,导致H2O2的积聚,H2O2作为第二信使可诱导白血病细胞分化的信号通路.本文对这些工作做了论述和展望.