Citation: 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. doi: 10.3724/SP.J.1123.2014.07036 shu

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

ZHANG Jin ¹ ,
PENG Qianrong ^2,, ,
XU Longquan ¹ ,
YANG Min ^1,, ,
WU Aijing ¹ ,
YE Shizhu ¹

1.
1. College of Chemistry and Chemical Engineering, Guizhou University, Guiyang 550025, China;

Corresponding author: PENG Qianrong, YANG Min,
Received Date: 22 July 2014
Available Online: 28 August 2014
Fund Project: 贵州省科技厅工业攻关项目(黔科合GY字[2008]3036) (黔科合GY字[2008]3036)贵州中烟科技项目(黔烟工技[2011]35). (黔烟工技[2011]35)

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