Algorithm combination strategy to obtain the second-order advantage: Simultaneous determination of target analytes in plasma using three-dimensional fluorescence spectroscopy

Journal of Chemometrics

Volumn 26, Issue 5, 2012, Pages 197-208

  Yu, Yong Jie ^a   Wu, Hai Long ^a   Kang, Chao ^a   Wang, Yu ^a   Zhao, Juan ^a   Li, Yuan Na ^a   Liu, Ya Juan ^a   Yu, Ru Qin ^a  

^a HUNAN UNIVERSITY   (China)

Author keywords

Algorithm combination methodology; Procaine; Second order advantage; Second order calibration; Tetracaine

Indexed keywords

FLUORESCENCE SPECTROSCOPY;

ALGORITHM COMBINATION METHODOLOGY; ALGORITHM COMBINATIONS; ALTERNATING TRILINEAR DECOMPOSITION; ANALYTES; PARALLEL FACTOR ANALYSIS; PROCAINE; SECOND-ORDER ADVANTAGES; SECOND-ORDER CALIBRATION; TETRACAINE; TRILINEAR DECOMPOSITION;

FLUORESCENCE;

EID: 84861329712     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.2442     Document Type: Article

References (32)

1. Smilde AK, Tauler R, Henshaw JM, Burgess LW, Kowalski, BR. Multicomponent determination of chlorinated hydrocarbons using a reaction-based chemical sensor. 3. Medium-rank second-order calibration with restricted Tucker models. Anal. Chem. 1994; 66: 3345-3351.
2. Adahchour M, Beens J, Vreuls RJJ, Brinkman, UAT. Recent developments in comprehensive two-dimensional gas chromatography (GC × GC): II. Modulation and detection. Trends Anal. Chem. 2006; 25: 540-553.
3. Escandar, GM, Olivieri AC, Faber NM, Goicoechea HC, Peña AM, Poppi RJ. Second- and third-order multivariate calibration: data, algorithms and applications. Trends Anal. Chem. 2007; 26: 752-765.
4. Galera MM, García MDG, Goicoechea HC. The application to wastewaters of chemometric approaches to handling problems of highly complex matrices. Trends Anal. Chem. 2007; 26: 1032-1042.
5. Workman J, Koch JM, Veltkamp D. Process analytical chemistry. Anal. Chem. 2007; 79: 4345-4364.
6. Gómez V, Callao MP. Analytical applications of second-order calibration methods. Anal. Chim. Acta 2008; 627: 169-183.
7. Olivieri AC. Analytical advantages of multivariate data processing. One, two, three, infinity? Anal. Chem. 2008; 80: 5713-5720.
8. Wu HL, Nie JF, Yu YJ, Yu RQ. Multi-way chemometric methodologies and applications: a central summary of our research work. Anal. Chim. Acta 2009; 650: 131-142.
9. 1-diffusion-ordered spectroscopy: nuclear magnetic resonance mixture analysis using parallel factor analysis. Anal. Chem. 2009; 81: 8119-8125.
10. Bro R, Viereck N, Toft M, Toft H, Hansen PI, Engelsen SB. Mathematical chromatography solves the cocktail party effect in mixtures using 2D spectra and PARAFAC. Trends Anal. Chem. 2010; 29: 281-284.
11. Hoggard JC, Wahl JH, Synovec RE, Mong GM, Fraga CG. Impurity profiling of a chemical weapon precursor for possible forensic signatures by comprehensive two-dimensional gas chromatography/mass spectrometry and chemometrics. Anal. Chem. 2010; 82: 689-698.
12. Lavine B, Workman J. Chemometrics. Anal. Chem. 2010; 82: 4699-4711.
13. Powe AM, Das S, Lowry M, El-Zahab B, Fakayode SO, Geng ML, Baker GA, Wang L, McCarroll ME, Patonay G, Li M, Aljarrah M, Neal S, Warner IM. Molecular fluorescence, phosphorescence, and chemiluminescence spectrometry. Anal. Chem. 2010; 82: 4865-4894.
14. Yu YJ, Wu HL, Nie JF, Zhang SR, Li SF, Li YN, Zhu SH, Yu RQ. A comparison of several trilinear second-order calibration algorithms. Chemom. Intell. Lab. Syst. 2011; 106: 93-107.
15. Sanchez E, Kowalski BR. Generalized rank annihilation factor analysis. Anal. Chem. 1986; 58: 496-499.
16. Wilson BE, Sanchez E, Kowalski BR. An improved algorithm for the generalized rank annihilation method. J. Chemom. 1989; 3: 493-498.
17. Sanchez E, Kowalski BR. Tensorial resolution: a direct trilinear decomposition. J. Chemom. 1990; 4: 29-45.
18. Harshman RA. UCLA Working Papers in Phonetics. 1970, 16, 1.
19. Bro R. PARAFAC: tutorial and applications. Chemom. Intell. Lab. Syst. 1997; 38: 149-171.
20. Wu HL, Shibukawa M, Oguma K. An alternating trilinear decomposition algorithm with application to calibration of HPLC-DAD for simultaneous determination of overlapped chlorinated aromatic hydrocarbons. J. Chemom. 1998; 12: 1-26.
21. Tauler R, Smilde AK, Kowalski BR. Selectivity, local rank, three-way data analysis and ambiguity in multivariate curve resolution. J. Chemom. 1995; 9: 31-58.
22. Peré-Trepat E, Tauler R. Analysis of environmental samples by application of multivariate curve resolution on fused high-performance liquid chromatography-diode array detection mass spectrometry data. J. Chromatogr. A 2006; 1131: 85-96.
23. Juan A, Tauler R. Multivariate curve resolution (MCR) from 2000: progress in concepts and applications. Crit. Rev. Anal. Chem. 2006; 36: 163-176.
24. Linder M, Sundberg R. Second-order calibration: bilinear least-squares regression and a simple alternative. Chemom. Intell. Lab. Syst. 1998; 42: 159-178.
25. Faber NM, Ferré J, Boqué R, Kalivas JH. Second-order bilinear calibration: the effects of vectorising the data matrices for the calibration set. Chemom. Intell. Lab. Syst. 2002; 63: 107-116.
26. Olivieri AC. On a versatile second-order multivariate calibration method based on partial least-squares and residual bilinearization: second-order advantage and precision properties. J. Chemom. 2005; 19: 253-265.
27. Chen ZP, Wu HL, Jiang JH, Li Y, Yu RQ. A novel trilinear decomposition algorithm for second-order linear calibration. Chemom. Intell. Lab. Syst. 2000; 52: 75-86.
28. Chen ZP, Wu HL, Yu RQ. On the self-weighted alternating trilinear decomposition algorithm-the property of being insensitive to excess factors used in calculation. J. Chemom. 2001; 15: 439-453.
29. Li SF, Wu HL, Huang L, Li YN, Nie JF, Zhang SR, Yu RQ. Quantitative analysis of fluphenazine hydrochloride in human urine using excitation-emission matrix fluorescence based on oxidation derivatization combined with second-order calibration methods. Analytical Methods 2010; 2: 1069-1077.
30. Chen ZP, Liu Z, Cao YZ, Yu RQ. Efficient way to estimate the optimum number of factors for trilinear decomposition. Anal. Chim. Acta 2001; 444: 295-307.
31. Bro R, Kiers HAL. A new efficient method for determining the number of components in PARAFAC models. J. Chemom. 2003; 17: 274-286.
32. Xia AL, Wu HL, Zhang Y, Zhu SH, Han QJ, Yu RQ. A novel efficient way to estimate the chemical rank of high-way data arrays. Anal. Chim. Acta 2007; 598: 1-11.