Using a process-centered approach to minimize the effort of compliance

 The complexity of different quality standards can, in principle, be covered by different approaches and strategies. In-depth process mapping of quality control (QC) work streams was used by the analytical laboratories of Lonza AG to show up the principle differences in being compliant to different quality systems. The results identified two main drivers for all necessary actions: process-related activities and infrastructure-related activities. In addition, a clear indication of the economic impact of these driving forces was gained, which led the laboratories to decide on a process-oriented approach. This approach has the advantage of being able to reflect the different demands of different quality assurance (QA) regulations within the same QC organizational structure. Following the process helps avoid unnecessary efforts in analytical work and represents a very economical approach, at the same time, providing high flexibility to react to different QA or customer demands. Received: 5 July 2002 Accepted: 12 November 2002 Acknowledgements The process-oriented approach resulted from many, very challenging discussions for which I would like to thank the staff of my organization (Analytics & QC), especially, the QA staff and the LIMS team. Presented at Analytica Conference, 23–26 April 2002, Munich, Germany Correspondence to B. Ciommer     

Optimal convergence properties of kernel density estimators without differentiability conditions

Let X ₁, X ₂, ..., X _n be independent observations from an (unknown) absolutely continuous univariate distribution with density f and let % MathType!MTEF!2!1!+-% feaafeart1ev1aaatCvAUfeBSjuyZL2yd9gzLbvyNv2CaerbuLwBLn% hiov2DGi1BTfMBaeXafv3ySLgzGmvETj2BSbqefm0B1jxALjhiov2D% aebbfv3ySLgzGueE0jxyaibaiiYdd9qrFfea0dXdf9vqai-hEir8Ve% ea0de9qq-hbrpepeea0db9q8as0-LqLs-Jirpepeea0-as0Fb9pgea% 0lrP0xe9Fve9Fve9qapdbaqaaeGacaGaaiaabeqaamaabaabcaGcba% GabmOzayaajaGaaiikaiaadIhacaGGPaGaeyypa0Jaaiikaiaad6ga% caWGObGaaiykamaaCaaaleqabaGaeyOeI0IaaGymaaaakmaaqadaba% Gaam4saiaacUfadaWcgaqaaiaacIcacaWG4bGaeyOeI0Iaamiwamaa% BaaaleaacaWGPbaabeaakiaacMcaaeaacaWGObGaaiyxaaaaaSqaai% aadMgacqGH9aqpcaaIXaaabaGaamOBaaqdcqGHris5aaaa!5356!\[\hat f(x) = (nh)^{ - 1} \sum\nolimits_{i = 1}^n {K[{{(x - X_i )} \mathord{\left/ {\vphantom {{(x - X_i )} {h]}}} \right. \kern-\nulldelimiterspace} {h]}}} \] be a kernel estimator of f(x) at the point x, \s-<x<, with h=h _n (h _n O and nh _n , as n) the bandwidth and K a kernel function of order r. Optimal rates of convergence to zero for the bias and mean square error of such estimators have been studied and established by several authors under varying conditions on K and f. These conditions, however, have invariably included the assumption of existence of the r-th order derivative for f at the point x. It is shown in this paper that these rates of convergence remain valid without any differentiability assumptions on f at x. Instead some simple regularity conditions are imposed on the density f at the point of interest. Our methods are based on certain results in the theory of semi-groups of linear operators and the notions and relations of calculus of finite differences.This research was supported in part by grants from the Natural Sciences and Engineering Research Council of Canada and the University of Alberta Central Research Fund.     

Proof of some conjectures on the mean-value of Titchmarsh series — III

With some applications in view, the following problem is solved in some special case which is not too special. LetF(s) =Σ _n ^∞ =1a_n λ _n ^−s be a generalized Dirichlet series with 1 =λ ₁ <λ ₂ < …,λ _n≤Dn, andλ _n+1 -λ _n ≥D ^{− 1} λ _n+1 ^{− a} where α>0 andD(≥ 1) are constants. Then subject to analytic continuation and some growth conditions, a lower bound is obtained for . These results will be applied in other papers to appear later.     

Partition function zeros for the one-dimensional ordered plasma in Dirichlet boundary conditions

We consider the grand canonical partition function for the ordered one-dimensional, two-component plasma at fugacity in an applied electric fieldE with Dirichlet boundary conditions. The system has a phase transition from a low-coupling phase with equally spaced particles to a high-coupling phase with particles clustered into dipolar pairs. An exact expression for the partition function is developed. In zero applied field the zeros in the plane occupy the imaginary axis from –i to –i_c and i_c to i for some _c. They also occupy the diamond shape of four straight lines from ±i_c to _c and from ±i_c to –_c. The fugacity acts like a temperature or coupling variable. The symmetry-breaking field is the applied electric fieldE. A finite-size scaling representation for the partition in scaled coupling and scaled electric field is developed. It has standard mean field form. When the scaled coupling is real, the zeros in the scaled field lie on the imaginary axis and pinch the real scaled field axis as the scaled coupling increases. The scaled partition function considered as a function of two complex variables, scaled coupling and scaled field, has zeros on a two-dimensional surface in a domain of four real variables. A numerical discussion of some of the properties of this surface is presented.     

Novel aromatic carboxamides from dehydroabietylamine as potential fungicides: Design,synthesis and antifungal evaluation

The present study was carried out to design and synthesize a number of novel aromatic carboxamide derivatives of dehydroabietylamine. The preliminary antifungal assay indicated that most of title compounds displayed moderate to good antifungal activity toward the six fungal strains in vitro. Compounds 3i, 3q, 4b and 4d showed significant antifungal activity against Sclerotinia sclerotiorum, with EC₅₀ values ranging from 0.067 ～ 0.393 mg/L. Compounds 3i, 4b and 4d also showed pronounced mycelial growth inhibition activities against B. cinerea and A. solani. Furthermore, in the in vivo assay, compound 4b exhibited brilliant protective activity against S. sclerotiorum-infected rape leaves. Meanwhile, the in vivo bioassay on tomato plants infected by B. cinerea showed that compound 3i and 4d displayed excellent protective activity at 200 mg/L, which were near to boscalid. Primary mechanistic study revealed that 4b could inhibit sclerotia formation as well as reduce the exopolysaccharide level. SEM and TEM analysis indicated that 4b possessed a strong ability to destroy the surface morphology of mycelia, cell structure and seriously interfere with the growth of the fungal pathogen. In addition, 4b exhibited good inhibitory activity (IC₅₀ = 23.3 ± 1.6 μM) toward succinate dehydrogenase (SDH). Molecular modeling study confirmed the binding modes between compound 4b and SDH. The above antifungal results and fungicidal mechanism study revealed that this class of dehydroabietylamine derivatives could be potential SDH inhibitors and lead compounds for novel fungicides development.     

水体透射光谱结合主成分分析(PCA )改进化学需氧量(COD)含量估算研究

化学需氧量（Chemical Oxygen Demand,COD）是水体有机污染的一项重要指标,化学需氧量越高,表示水污染程度越严重。 为了解决传统的COD测量方法耗时较长,不利于快速、实时地获取水体中COD的信息等问题。本文提出了基于透射光谱测量结合主成分分析(Principal Component Analysis, PCA)改进水体COD含量估算模型。具体的,采集100组COD水体光谱信息,分别使用3种不同的高光谱数据预处理方法对光谱数据进行预处理,分析不同预处理方法对模型精度的影响,并基于不同的预处理方法分别建立高斯过程回归模型(Gaussian Process Regression, GPR)和BP神经网络模型,分析不同预处理方法对模型精度的影响;并对各模型结合PCA数据降维方法进行模型的改进,通过比较模型的精度选择最优模型进行水体COD含量的检测。结果显示,相比于原始光谱数据建立的GPR模型和BP神经网络模型,数据预处理后的模型精度明显提升;且结合PCA对预处理后的数据进一步降维处理后,模型精度得到了进一步的提升。其中,基于标准正态变量变换特征结合PCA改进BP神经网络模型基于PCA改进的BP神经网络模型R^2高达0.9940,均方根误差RMSE为0.022540。证明了基于PCA改进的BP神经网络数据降维方法对预处理后的光谱数据进行降维处理,有利于去除光谱中的冗余信息,提取特征信息,可以实现高光谱检测方法可以实现COD含量估算模型的优化,从而为传统COD测量方法存在的问题提出了一种新的解决思路。     

行NA随机变量三角阵列的完全收敛性

令{Xm;1≤i≤n,n≥1}是行NA的随机变量三角阵列．利用NA随机变量序列的一个矩不等式,讨论了行NA的随机变量三角阵列在被随机变量X弱平均控制的条件下的完全收敛性．所得到的结果推广了行独立的随机变量三角阵列相应的结果．     

EACVD中用氢原子谱线测定电子平均能量

采用蒙特卡罗方法，对EACVD中氢原子的发射过程进行了模拟。给出了由氢原子谱线测定电子平均能量的方法，结果对EACVD生长金刚石薄膜过程中实时监测电子平均能量，进而可以有效地控制工艺条件，生长出高质量的金刚石薄膜具有重要意义。     

对《关于〈一维圆环上双原子链的马德隆常数〉的解析解》的讨论

本文绘制了一维等距离子晶体的累加法、埃夫琴法和平均值法的各级马德隆常数的曲线.本文推导了二聚化直线离子晶体马德隆常数的求和式,比较了两种解析式的优劣.本文详细地推导了圆环上等距和二聚化离子晶体的马德隆常数的解析式,使读者更易于理解.本文修正了《关于〈一维圆环上双原子链的马德隆常数〉的解析解》的两个笔误,还建议修正二聚化马德隆常数的定义式,使其物理意义更明显.     

Determining Nuclear Form factor for Detection of Dark Matter in Relativistic Mean Field Theory

In this work, we derive the nuclear form factor for the spin-independent collision between the WIMPs and nucleus in terms of the relativistic mean field (RMF) theory. Comparison with the traditional form factors which are commonly used in literature is given and it is found that our results are slightly above that of the 2PF model by 4% to 8%, but deviate from the Helm form factor by 15% to 25% for the whole recoil energy spectrum of 0 ∽ 100keV. Moreover, taking Xe and Ge as examples, we show the dependenceof the form factor on the recoil energy.