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.     

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．     

裂解气相色谱质谱法研究增塑剂邻苯二甲酸二甲酯的热降解机理

用裂解气相色谱-质谱联用方法研究了橡胶产品中使用的增塑剂邻苯二甲酸二甲酯(DMP)在不同温度条件下的热裂解行为.对不同温度条件下裂解产物的分析表明,在初始阶段DMP的裂解产物主要为二氧化碳、苯、甲苯和苯甲酸甲酯.随着温度的升高苯甲酸甲酯进一步裂解成为分子质量更小的自由基,并发生稠环化反应形成更稳定的菲、蒽、间-联三苯、三亚苯等芳香族多环化合物.根据分析实验提供的裂解产物信息和有机物热裂解化学反应的原理对DMP的热裂解反应机理作了探讨,表明在废旧合成橡胶热裂解回收过程中,增塑剂DMP的高温裂解会产生多环芳烃污染物.应选择合适裂解工艺和裂解温度,以减少对环境的污染.     

Andreev-Fano Effect in a Hybrid Normal-Metal/Superconductor Interferometer

We report on a new type of Fano effect, named as Andreev-Fano effect, in a hybrid normal-metal/supeeconductor (N/S) interferometer embedded with a quantum dot. Compared with the conventional Fano effect, AndreevFano effect has some new features related to the characteristics of Andreev reflection. In the Iinear response regime, the line shape is the square of the conventional Fano shape, while in the nonlinear transport, a sharp resonant structure is superposed on an expanded interference pattern, which is qualitatively different from the conventional Fano effect. The phase dependence of the hybrid N/S interferometer is also distinguished from those of all-N or all-S interferometers.     

代数体函数的定理

本文定义并研究了代数体函数的加法．结合杨乐的方法,将仪洪勋联系重值的亚纯函数唯一性定理推广到多值的代数体函数．     

等离子体氧轰击硅生成缺陷的研究

本文对等离子体氧轰击硅产生的缺陷进行了研究。发现等离子体氧轰击在硅中引入两个缺陷E₁(E_c—0.46eV)及E₂(E_c—0.04eV)。测量了缺陷的光电离截面谱,分析表明,缺陷E₂的电子声子相互作用很强,其Frank-Condon移动达0.76eV,缺陷E₁的电子声子相互作用较小,其Frank-Condon移动为0.04eV。由实验结果得到与缺陷E₁、E₂相耦合的声子模分别为hω_p⁽¹⁾=28meV,hω_p⁽²⁾=20meV。 关键词：     

倾斜下降管气液两相分层流截面含气率的计算与液层高度的预测

分层流是气液两相流中常见的流动型式，分层流中液层高度是计算的基本数据，由于界面波的存在，对液层的测量和预测都很困难．Ｖｌａｃｈｏｓ提出了预测气液两相分层流液层厚度的关系式，但这一关系式并不适用于倾斜下降管气液两相流．本文提出了计算倾斜下降管气液两相分层流截面含气率的理论模型，在这种模型下得到的截面含气率和实验结果符合良好．在大量实验的基础上，考虑了倾角、管径、气液各相折算速度的影响，根据实验数据提出了预测液层厚度的关系式。     

p+209Bi核反应微观数据的理论计算

利用光学模型、激光模型、蒸发模型及扭曲波玻恩近似理论,对入射能量从阈能到300MeV,p+²⁰⁹Bi的中子反应截面、剩余核截面、出射粒子的多重数进行了理论计算及分析,并将计算结果与实验数据进行了比较.同时得到一组能量到50?0MeV与实验数据符合很好的光学势参数.     

毛细管电色谱中进样时间对柱效的影响

毛细管电色谱是近年发展起来的一种新型微分离技术，它结合了高效液相色谱和毛细管电泳的物点，具有高效、快速，高选择性，其有关理论研究和应用越来越深入，本文从色谱动力学角度讨论了毛细管电色谱中进样时间对柱的影响。