色谱分离与第三代超分子——杯芳烃

评述了色谱在杯芳烃类化合物研究中的应用和杯芳烃类化合物在色谱中的应用，并对其在色谱中的应用前景作了展望。     

三维荧光光谱结合物理和数学分离研究溶解性有机质组成

采用分子排阻色谱和激发/多波段发射荧光检测器,结合三维荧光光谱和平行因子分析,研究了新、老填埋垃圾渗滤液中溶解性有机质( DOM)的组成。实验结果表明,两种渗滤液来源的DOM均含有类蛋白和类腐殖质物质。在新填埋垃圾渗滤液中,类蛋白物质有4种存在形态,包括大分子蛋白质形态、高/低分子量腐殖质结合态和多肽/氨基酸形态;在老填埋垃圾渗滤液DOM中,类蛋白物质只有两种形态,分别为大分子蛋白质形态和腐殖质结合态。相比于分子排阻色谱,三维荧光光谱结合平行因子分析能够分辨出腐殖质和非腐殖质结合态的类蛋白物质,但不能有效区分蛋白质和以多肽/氨基酸形态存在的类蛋白物质。结果表明,三维荧光光谱结合平行因子分析和分子排阻色谱,可以表征DOM中不同形态分布的类蛋白和类腐殖质物质。     

谱峰漂移校正技术结合三维平行因子分析方法用于分辨中药重叠高效液相色谱信号

谱峰漂移校正技术结合平行因子分析方法被应用于中药色谱重叠峰信号分辨. 谱峰漂移校正技术的使用, 使得数据的三线性得以加强, 更适合于平行因子分析方法的分辨. 本文通过对中药延胡索色谱数据分辨, 并与经典多元曲线分辨方法对比来验证谱峰漂移校正技术结合平行因子分析方法的正确性.     

用芳香醇同系物研究疏水色谱的保留机理

首次研究了芳香醇同系物在疏水色谱（HIC）中的保留行为。同系物的保留符合同系物规律。随绝对温度倒数的增加，保留值先增大而后减小，符合Van‘t Hoff曲线方程。用计量置换保留模型中的参数表征了同系物分子的性质，揭示了HIC中小分子的保留在本质上与反相色谱相同，均由非选择性疏水作用力所控制。证明了用中性小分子作为溶质研究HIC保留机理是一个新方法，为研究生物大分子在疏水色谱中的保留机理奠定了基础。     

因子分析及其在电分析化学中的应用进展

评述了化学因子分析近期的理论研究及其在电分析化学中的应用进展。引用文献６１篇。     

气相色谱-模式识别技术在油气化探中的应用

〕本文采用吸附丝-气相色谱方法分析了某地区的44个油气化探样品,通过相关分析及R型因子分析对样品组分进行了特征抽提,然后用无监督模式分类法对样本进行了分类研究,结果与一般地质方法及地质资料相吻合。     

二维重叠色谱峰解析方法的比较

利用渐进因子分析方法(EFA)和固定尺寸移动窗口因子分析方法(FSMWEFA)与局部正交投影方法(LOPA)相结合,用于模拟的HPLC—DAD二维数据解析。通过比较谱峰部分重叠、光谱完全重叠、色谱拖尾3种情况的结果显示,在谱峰部分重叠和色谱拖尾两种情况下两种方法都可以较好的解析重叠峰。但是在光谱完全重叠时,前一种方法不能得出正确的结论,而后一种方法仍能得到满意的结果。     

近红外漫反射光谱法对固态样品的无损分析

本文应用目标因子分析研究了固态样品的近红外漫反射光谱，用目标因子分析成功地确定了固态样品的物种数、物种种类和各物种的含量。     

因子分析和聚类分析在波谱解析中的应用

本文介绍和评述了因子分析和聚类分析在波谱解析中的进展。并对因子分析与聚类分析结合进行波谱解析的前景进行了展望。     

校正变换矩阵法用于水样中钙镁的分光光度法同时测定

本文提出了用基于目标因子分析中的自由浮动技术的校正变换矩阵法对钙镁进行光度法同时测定，研究了酸性铬兰Ｋ与钙镁显色体系同时测定条件及校正模型的选择。     

因子分析-导数光度法同时测定苯酚、间苯二酚、对苯二酚混合体系的比较

同时采集多事体系的紫外基谱和一阶导数光谱数据,用因子分析技术地两套数据进行分析对比,结果表明一阶导数光谱数据经因子分析法同时测定混合多酚所得结果明显优于基本光谱数据经因子分析法所得结果,具有明显的消除背景干扰,提高灵敏度等优点。     

An improvement of window factor analysis for resolution of noisy HPLC-DAD data

Window factor analysis (WFA) is a powerful tool in analyzing evolutionary process. However, it was found that window factor analysis is much sensitive to the noise involved in original data matrix. An error analysis was done with the fact that the concentration profiles resolved by the conventional window factor analysis are easily distorted by the noise reserved by the abstract factor analysis (AFA), and a modified algorithm for window factor analysis was proposed. Both simulated and experimental HPLC-DAD data were investigated by the conventional and the improved methods. Results show that the improved method can yield less noise-distorted concentration profiles than the conventional method, and the ability for resolution of noisy data sets can be greatly enhanced.     

遗传-因子分析光度法用于地质样品中15个稀土元素同时测定的研究

遗传因子分析方法（GFA）综合了遗传算法（GA）和迭代目标因子分析法（FA）的优点，不仅实现了校准模型的动态化，而且解决了多组分同时测定时收敛滞缓的问题。遗传-因子分析方法应用于15种稀土的同时测定，提高了分析结果的准确度。     

Factors analysis of protein O-glycosylation site prediction

To improve the prediction accuracy of O-glycosylation sites, and analyze the structure of the O-glycosylation sites, factor analysis based prediction is proposed in this study. Our studies show that factor analysis strongly boosts machine learning algorithms’ performance in glycosylation site prediction besides demonstrates advantages compared to principal component analysis and nonnegative matrix factorization. In addition, we have found that factor analysis based linear discriminant analysis seem to be a desirable method in O-glycosylation site prediction for its advantage in both accuracy and time complexity than other machine learning methods. To the best of our knowledge, it is the first work to employ factor analysis in glycosylation site prediction and will inspire more future work in this topic.     

Multivariate calibration for neutron activation analysis

The application of target factor analysis to the analysis of gamma-ray spectra collected for activation analysis is proposed. Satisfactory analysis of a trial set of samples was carried out using measured spectra as targets. Single-isotope spectra were obtained from mixture spectra by free-floating and performed satisfactorily as target spectra. The factor analysis method requires less resolution than peak-based methods.     

Application of multivariate curve resolution methods to on-flow LC-NMR

The application of evolving window factor analysis (EFA), subwindow factor analysis (SFA), iterative target transformation factor analysis (ITTFA), alternating least squares (ALS), Gentle, automatic window factor analysis (AUTOWFA) and constrained key variable regression (CKVR) to resolve on-flow LC-NMR data of eight compounds into individual concentration and spectral profiles is described. CKVR has been reviewed critically and modifications are suggested to obtain improved results. A comparison is made between three single variable selection methods namely, orthogonal projection approach (OPA), simple-to-use interactive self-modelling mixture analysis approach (SIMPLISMA) and simplified Borgen method (SBM). It is demonstrated that LC-NMR data can be resolved if NMR peak cluster information is utilised.     

改进的迭代目标转换因子分析研究

本文用非线性迭代偏最小二乘法分解原始数据阵,提出了改进的迭代目标转换因子分析法,大大简化了运算,方法简单、直观、准确.用此法对复方扑热息痛片中三组分(乙酰基水杨酸、扑热息痛及咖啡因)的含量进行紫外光谱测定,结果满意.     

Source apportionment of polycyclic aromatic hydrocarbons in surface sediments of Izmit Bay (Turkey)

Thirty-five surface sediment samples were collected from the northeastern coast of the Izmit Bay to apportion the sources of polycyclic aromatic hydrocarbons (PAH) entering the Bay. Samples were collected in February and June, 2002 and they were analyzed for 16 PAH compounds using HPLC-UV. Total PAHs ranged from 1.1 to 68.4?μg?g^?1-dry wt. Both the factor analysis and the factor analysis-absolute factor score multiple linear regression analysis were applied to the results of 11 PAH compounds which were observed in more than 80% of the samples. From the factor analysis, two factors explaining 91.3% of the total variance were identified. The first factor was petrogenic and explained 76% of the variance. Except for the Anthracene, 57 to 85% of the lower molecular mass PAH compounds (from Fluorene to Chrysene) were contributed by this factor.     

Isokinetic correlation analysis of the series of electrophilic substitution reactions of o-substituted phenylmercurials

Isokinetic relationships of the series of electrophilic substitution reactions of o-substi-tuted phenylmercurials are studied, and the results show, for the first time, that isokinetic correlation analysis can reveal the dominant factor in the system of the reactions. The analysis of SE2 of o-substituted phenylmercuric chlorides indicates that the steric effect of o-substituents is the predominant factor when I2 is used as electrophilic agent, however, the electronic effect of o-substituents would become the predominant factor when HCI is used as the electrophilic agent. In SE1 of o-substituted phenylmercuric chlorides, the results of the analysis display that the predominant factor is the field effects of o-substituents. The determination of predominant factors in those reactions would provide further scientific basis for those reaction mechanisms.