Application of three-way data analysis (second-order tensor decomposition) algorithms in analysis of liquid chromatography

doi:10.3724/SP.J.1123.2014.07036

Abstract

Abstract:

Using dropline separation, tangent skimming, and triangulation to estimate the area of an overlapping chromatographic peak might contribute to a large deviation. It is easy, however, to eliminate these errors caused by geometric segmentation using three-way data analysis (second-order tensor decomposition) algorithms. This method of chromatographic analysis has many advantages: automation, anti-interference, high accuracy in the resolution of overlapping chromatographic peaks. It even makes the final goal of analytical chemistry achievable without the aid of complicated separation procedures. The core of this method is the process of utilizing useful information and building models through chemometric algorithms. Three-way chromatographic data set can be divided into trilinear dataset and nontrilinear dataset, correspondingly, three-way data analysis (second-order tensor decomposition) algorithms can be divided into trilinear algorithms and nontrilinear algorithms. In this paper, three-way calibration used in liquid chromatography for complex chemical systems in the last decade is reviewed, and focused on sample pretreatment, auxiliary algorithms, the combination and comparison of correction algorithms.

Key words: complex chemical system, liquid chromatography, quantitative analysis of overlapping chromatographic peaks, three-way data analysis (second-order tensor decomposition) algorithms, unknown interferences

CLC Number:

O658

ZHANG Jin, PENG Qianrong, XU Longquan, YANG Min, WU Aijing, YE Shizhu. Application of three-way data analysis (second-order tensor decomposition) algorithms in analysis of liquid chromatography[J]. Chinese Journal of Chromatography, 2014, 32(11): 1165-1171.

References

[1] Xu G W, Shi X Z. Chinese Journal of Chromatography (许国旺, 石先哲. 色谱), 2011, 29(2): 97
[2] Folley J P. J Chromatogr A, 1987, 384: 301
[3] Wu H L, Li Y, Yu R Q. J Chemom, 2014, 28(5): 476
[4] Escandar G M, Goicoechea H C, de la Pena A M, et al. Anal Chim Acta, 2014, 806: 8
[5] Gómez V, Callao M P. Anal Chim Acta, 2008, 627: 169
[6] Parastar H, Tauler R. Anal Chem, 2014, 86(1): 286
[7] Wu H L, Yu R Q. Chemistry Online (吴海龙, 俞汝勤. 化学通报), 2011, 74(9): 771
[8] Olivieri A C. Anal Methods, 2012, 4(7): 1876
[9] Hirschfeld T. Anal Chem, 1980, 52(2): 297A
[10] Olivieri A C, Escandar G M, de la Pena A M. TrAC-Trends Anal Chem, 2011, 30(4): 607
[11] Amigo J M, Skov T, Bro R. Chem Rev, 2010, 110(8): 4582
[12] Wang K, Jia Z H, Zhang Z Q, et al. Chemical Journal of Chinese Universities (王康, 贾泽慧, 张志琪, 等. 高等学校化学学报), 2009, 30(2): 268
[13] Sanchez E, Kowalski B R. J Chemom, 1990, 4(1): 29
[14] Bro R. Chemom Intell Lab Syst, 1997, 38(2): 149
[15] Sanchez E, Kowalski B R. Anal Chem, 1986, 58(2): 496
[16] Linder M, Sundberg R. J Chemom, 2002, 16(1): 12
[17] Arancibia J A, Damiani P C, Escandar G M, et al. J Chromatogr B, 2012, 910: 22
[18] Yu Y J, Wu H L, Fu H Y, et al. J Chromatogr A, 2013, 1302: 72
[19] Shao X G, Shao L M, Li M Q, et al. Science in China Series B: Chemistry (邵学广, 邵利民, 李梅青, 等. 中国科学B辑: 化学), 2002, 32(2): 94
[20] Li B Y, Liang Y Z, Hu Y, et al. Chinese Journal of Analytical Chemistry (李博岩, 梁逸曾, 胡芸, 等. 分析化学), 2004, 32(3): 313
[21] Fraga C G, Prazen B J, Synovec R E. Anal Chem, 2001, 73(24): 5833
[22] Prazen B J, Synovec R E, Kowalski B R. Anal Chem, 1998, 70(2): 218
[23] Bortolato S A, Arancibia J A, Escandar G M, et al. Chemom Intell Lab Syst, 2010, 101(1): 30
[24] Nielsen N P V, Carstensen J M, Smedsgaard J. J Chromatogr A, 1998, 805: 17
[25] Bylund D, Danielsson R, Malmquist G, et al. J Chromatogr A, 2002, 961: 237
[26] Itakura F. IEEE Trans Acoust Speech Signal Process, 1975, 23(1): 67
[27] Clifford D, Stone G, Montoliu I, et al. Anal Chem, 2009, 81(3): 1000
[28] Eilers P H C. Anal Chem, 2003, 76(2): 404
[29] Tomasi G, Savorani F, Engelsen S B. J Chromatogr A, 2011, 1218(43): 7832
[30] Zhang Z M, Chen S, Liang Y Z. Talanta, 2011, 83(4): 1108
[31] Johnson K J, Prazen B J, Young D C, et al. J Sep Sci, 2004, 27(5/6): 410
[32] Pierce K M, Kehimkar B, Marney L C, et al. J Chromatogr A, 2012, 1255: 3
[33] Zhang Z M, Liang Y Z, Lu H M, et al. J Chromatogr A, 2012, 1223: 93
[34] Zhang J.[MS Dissertation]. Guiyang: Guizhou University (张婕.[硕士学位论文]. 贵阳: 贵州大学), 2008
[35] Wu H L, Shibukawa M, Oguma K. J Chemom, 1998, 12(1): 1
[36] Kiers H A L, Ten Berge J M F, Bro R. J Chemom, 1999, 13(3/4): 275
[37] Wold S, Geladi P, Esbensen K, et al. J Chemom, 1987, 1(1): 41
[38] Bro R. J Chemom, 1996, 10(1): 47
[39] Tauler R. Chemom Intell Lab Syst, 1995, 30(1): 133
[40] Sun J Q, Wu H L, Mo C Y, et al. Chinese Journal of Chromatography (孙剑奇, 吴海龙, 莫翠云, 等. 色谱), 2002, 20(5): 385
[41] Lu J Z, Wu H L, Sun X Y, et al. Chinese Journal of Analytical Chemistry (陆剑忠, 吴海龙, 孙翔宇, 等. 分析化学), 2004, 32(10): 1278
[42] Comas E, Gimeno R A, Ferré J, et al. J Chromatogr A, 2004, 1035: 195
[43] Maggio R M, Damiani P C, Olivieri A C. Talanta, 2011, 83(4): 1173
[44] Vosough M, Salemi A. Food Chem, 2011, 127(2): 827
[45] Pilon A C, Carneiro R L, Carnevale Neto F, et al. Phytochem Anal, 2013, 24(4): 401
[46] Bortolato S A, Arancibia J A, Escandar G M. Anal Chem, 2009, 81(19): 8074
[47] Canada-Canada F, Arancibia J A, Escandar G M, et al. J Chromatogr A, 2009, 1216: 4868
[48] Tomer K B, Arthur Moseley M, Deterding L J, et al. Mass Spectrom Rev, 1994, 13(5/6): 431
[49] Lima K M G, Bedia C, Tauler R. Microchem J, 2014, 117: 255
[50] Zhang S R, Wu H L, Zhai M. Chinese Journal of Chromatography (张树荣, 吴海龙, 翟敏, 等. 色谱), 2013, 31(6): 550
[51] Olivieri A C, Wu H L, Yu R Q. Chemom Intell Lab Syst, 2009, 96(2): 246
[52] Andersson C A, Bro R. Chemom Intell Lab Syst, 2000, 52(1): 1
[53] Ding K, Wu D P, Guan Y F. Chinese Journal of Chromatography (丁坤, 吴大朋, 关亚风. 色谱), 2010, 28(12): 1117
[54] McCoy B J. AIChE J, 1990, 36(12): 1933
[55] Fraga C G, Corley C A. J Chromatogr A, 2005, 1096: 40
[56] Eilers P H C, Currie I D, Durbán M. Comput Stat Data An, 2006, 50(1): 61