Window target-testing factor analysis: theory and application to the chromatographic analysis of complex mixtures with multiwavelength fluorescence detection

被引:32
作者
Lohnes, MT [1 ]
Guy, RD [1 ]
Wentzell, PD [1 ]
机构
[1] Dalhousie Univ, Dept Chem, Trace Anal Res Ctr, Halifax, NS B3H 4J3, Canada
基金
加拿大自然科学与工程研究理事会;
关键词
principal component analysis; target-testing; evolving factor analysis; chromatography; fluorescence;
D O I
10.1016/S0003-2670(99)00147-6
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
Window target-testing factor analysis (WTTFA) is a new data analysis method that can help confirm the presence or absence of an analyte in a severely overlapped chromatogram. It is intended to be used in chromatographic applications with multichannel detection and is based on principal component analysis. The algorithm attempts to determine if the response profile of a target analyte lies within the response subspace of a time window containing unresolved chromatographic peaks. Because the window moves sequentially through the chromatogram, WTTFA allows a relative assessment of match quality. To test the new method, a procedure for simulating complex chromatograms has been developed. The simulated data allow the limitations of WTTFA to be tested under different conditions of chromatographic complexity, spectral overlap, measurement noise, window size and other factors. As a practical demonstration of its utility, the method is applied to the chromatographic analysis of polycyclic aromatic compounds in a complex petroleum distillate using multiwavelength fluorescence detection. WTTFA indicates the presence of l-methylpyrene in an unresolved cluster of peaks. This is confirmed through a combination of mass spectrometry, heart-cut chromatography and self-modeling curve resolution. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:95 / 113
页数:19
相关论文
共 20 条
[1]   THEORY OF ANALYTICAL-CHEMISTRY [J].
BOOKSH, KS ;
KOWALSKI, BR .
ANALYTICAL CHEMISTRY, 1994, 66 (15) :A782-A791
[2]  
DAVIS JM, 1994, ADV CHROMATOGR, V34, P109
[3]   Extension of statistical overlap theory to poorly resolved separations [J].
Davis, JM .
ANALYTICAL CHEMISTRY, 1997, 69 (18) :3796-3805
[4]  
DAVIS JM, 1983, ANAL CHEM, V55, P418, DOI 10.1021/ac00254a003
[5]   EVALUATION OF THE NUMBER OF COMPONENTS IN MULTICOMPONENT LIQUID CHROMATOGRAMS OF PLANT-EXTRACTS [J].
DONDI, F ;
KAHIE, YD ;
LODI, G ;
REMELLI, M ;
RESCHIGLIAN, P ;
BIGHI, C .
ANALYTICA CHIMICA ACTA, 1986, 191 :261-273
[6]   A PRIORI ESTIMATES OF THE ELUTION PROFILES OF THE PURE COMPONENTS IN OVERLAPPED LIQUID-CHROMATOGRAPHY PEAKS USING TARGET FACTOR-ANALYSIS [J].
GEMPERLINE, PJ .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1984, 24 (04) :206-212
[7]  
Hamilton J.C., 1990, J CHEMOMETR, V4, P1, DOI 10.1002/cem.1180040103
[8]   DECONVOLUTION OF OVERLAPPING CHROMATOGRAPHIC PEAKS [J].
LACEY, RF .
ANALYTICAL CHEMISTRY, 1986, 58 (07) :1404-1410
[9]   SELF MODELING CURVE RESOLUTION [J].
LAWTON, WH ;
SYLVESTRE, EA .
TECHNOMETRICS, 1971, 13 (03) :617-+
[10]   IDENTIFICATION AND QUANTITATION OF DRUGS OF ABUSE IN URINE USING THE GENERALIZED RANK ANNIHILATION METHOD OF CURVE RESOLUTION [J].
LI, SS ;
GEMPERLINE, PJ ;
BRILEY, K ;
KAZMIERCZAK, S .
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 1994, 655 (02) :213-223