Validation of fuzzy logic method for automated mass spectral classification for mineral imaging

Imaging mass spectrometry requires the acquisition and interpretation of hundreds to thousands of individual spectra in order to map the mineral phases within heterogeneous geomatrices. A fuzzy logic inference engine (FLIE) was developed to automate data interpretation. To evaluate the strengths and limitations of FLIE, the chemical images obtained using FLIE were compared with those developed using two chemometric methods: principle component analysis (PCA) and cluster analysis (K-Means). Two heterogeneous geomatrices, a low-grade chalcopyrite ore and basalt, were imaged using a laser-desorption Fourier transform mass spectrometer. Similar mineral distribution patterns in the chalcopyrite ore sample were obtained by the three data analysis methods with most of the differences occurring at the interfaces between mineral phases. PCA missed one minor mineral phase in the chalcopyrite ore sample and did not clearly differentiate among the mineral classes of the basalt. K-Means cluster analysis differentiated among the various mineral phases in both samples, but improperly grouped some spectra in the chalcopyrite sample that only contained unanticipated high mass peaks. Unlike the chemometric methods, FLIE was able to classify spectra as unknowns for those spectra that fell below the confidence level threshold. A nearest neighbor approach, included in FLIE, was used to classify the unknowns to form a visually complete image; however, the unknowns identified by FLIE can be informative because they highlight potential problems or overlooked results. In conclusion, this study validated the fuzzy logic-based approach used in our laboratory and reveald some limitations in the three techniques that were evaluated.     

一种改进的计算探测器校正因子的相关抽样方法

对于小尺寸探测器处于大块介质的情形, 在探测器的校正因子的Monte Carlo模拟中, 存在两个难题: 一是由于探测器尺寸很小粒子难以到达探测器并发生碰撞; 二是两个随机变量比值难以达到要求精度. 本文使用经过改进的粒子碰撞自动重要抽样方法, 再结合相关抽样方法, 解决了这两个难题, 并在MCNP-4C程序平台上加以实现. 除了粒子碰撞自动重要抽样以外, 还选用了其他3种方法: 直接模拟、区域分裂、强迫碰撞+Dxtran球分别与相关抽样方法结合, 对一个简化的探测器校正因子计算模型进行了计算. 实际计算结果表明, 相关抽样方法无论与哪种方法结合, 都起到了提高相关量计算效率的作用; 而它与粒子碰撞自动重要抽样结合, 比其他方法具有明显的优越性.     

四（对-羟基苯基）卟啉氧合配合物的室温固相合成，表征及氧合能力

采用固相反应合成了四羟基苯基卟啉与与Fe^2＋,Co^2＋金属离子的配合物,在室温下,将其与分子O2作用,提纯后得到两种固态氧合配合物．通过元素分析、红外光谱（IR）、核磁共振氢谱（^1HNMR）、电导、热分析（TG／DTA）、紫外光谱（UV）等测试手段确定了氧合配合物的组成为[Co·THPP·O2]（NO3）2·2H2O、[Fe·THPP·O2]Cl2·2H2O]，可知1mol配合物吸收了1molO2,采用失重法测定了氧合配合物中的配位氧,确定1mol金属配合物吸收1molO2形成超氧配合物．     

等腰三角形Mindlin板的自由振动分析

提出了一种新方法来对基于 Mindlin剪切变形理论的等腰三角形板进行自由振动分析 .此方法采用了一种新的基函数并利用 pb-2 Rayleigh-Ritz边界函数得到了一种新型的 Ritz方法 .这种方法的有效性通过收敛性和对比性分析得到了证实 .数值结果表明此方法相当精确有效 .     

分叉问题的几何描述及其计算方法

本文通过一个构造的向量场,建立了非线性代数方程组的解流形与对应向量场的不变流形之间的等价关系,把解流形的分叉问题转化为对向量场奇点附近局部性态的研究。这种思路具有几何直观性,并为解流形的跟踪与分叉计算提供了一套新的数值方法。     

半连续格的性质

讨论了半连续格的一些基本性质。定义了一种新的元素——-素元,举例说明-素元与素元、伪素元是不同的,并给出了-素元与素元、伪素元相等的条件;同时,定义了半连续格上的拓扑和半连续格之间的映射,并证明了半连续格的收缩仍是半连续的。     

运输网络中最小饱和流的求解

运输网络中常常由于流量的不可控易发生堵塞现象.网络发生堵塞时的饱和流值达不到最大流值.最小饱和流是运输网络,尤其是紧急疏散网络设计中很重要的一个参数.通过建立网络的割集矩阵来确定网络的堵塞截面,基于此提出了求解最小饱和流的线性规划模型及算法.举例分析表明,利用该算法计算网络最小饱和流更加简便、更加实用.     

Fusion Proteins Cpn10-E^rns with Properties of Generating CSFV-Neutralized Antibodies

IntroductionClassical swine fever(CSF), included in the listA of the Office International des Epizooties(OIE), is ahighly contagious disease of domestic pigs and is con-sidered as the mostharmful disease occurring in pigs allover the world[1]. Outbreaks o…     

Effects of Substrate Temperature on Helium Content and Microstructure of Nanocrystalline Titanium Films

Helium-charged nanocrystalline titanium films have been deposited by HeAr magnetron co-sputtering. The effects of substrate temperature on the helium content and microstructure of the nanocrystalline titanium films have been studied. The results indicate that helium atoms with a high concentration are evenly incorporated in the deposited titanium films. When the substrate temperature increases from 60℃ to 350℃ while the other deposition＇parameters are fixed, the helium content decreases gradually from 38.6 at.% to 9.2at.%, which proves that nanocrystalline Ti films have a great helium storage capacity. The 20 angle of the Bragg peak of （002） crystal planes of the He-charged Ti film shifts to a lower angle and that of （100） crystal plane is unchanged as compared with that of the pure Ti film, which indicates that the lattice parameter c increases and a keeps at the primitive value. The grain refining and helium damage result in the diffraction peak broadening.