Achieving bilinearity in non-bilinear augmented first order kinetic data applying calibration transfer

Chemometrics and Intelligent Laboratory Systems

Volumn 115, Issue , 2012, Pages 1-8

  Khoshkam, Maryam ^a   van den Berg, Frans ^b   Kompany Zareh, Mohsen ^a,b  

^a INSTITUTE FOR ADVANCED STUDIES IN BASIC SCIENCES IASBS   (Iran)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

Bilinear; Calibration transfer; Carbaryl; Data augmentation; First order kinetics; Model based analysis

Indexed keywords

CARBARIL;

ACCURACY; ARTICLE; CALIBRATION; CALIBRATION TRANSFER; CHEMICAL PEST CONTROL; CHEMICAL REACTION KINETICS; COTTON; CROP PROTECTION; DATA ANALYSIS; DEGRADATION; EXPERIMENTAL STUDY; FIRST ORDER KINETICS; FORAGE; FRUIT; KINETICS; LOCAL SPECTRA MODE OF ANALYSIS; MATHEMATICAL ANALYSIS; PH; PRIORITY JOURNAL; SIMULATION; SPECTROSCOPY; VEGETABLE;

EID: 84861191131     PISSN: 01697439     EISSN: 18733239     Source Type: Journal    
DOI: 10.1016/j.chemolab.2012.01.009     Document Type: Article

References (46)

1. de Juan A., Tauler R. Chemometrics applied to unravel multicomponent processes and mixtures: Revisiting latest trends in multivariate resolution. Analytica Chimica Acta 2003, 500:195-210.
2. de Juan A., Maeder M., Martínez M., Tauler R. Application of a novel resolution approach combining soft- and hard-modelling features to investigate temperature-dependent kinetic processes. Analytica Chimica Acta 2001, 442:337-350.
3. Tauler R., Kowalski B., Fleming S. Multivariate curve resolution applied to spectral data from multiple runs of an industrial process. Analytical Chemistry 1993, 65:2040-2047.
4. Gargallo R., Tauler R., Izquierdo-Ridorsa A. Application of a Multivariate Curve Resolution Procedure to the Analysis of Second-Order Melting Data of Synthetic and Natural Polynucleotides. Analytical Chemistry 1997, 69:1785-1792.
5. Amrhein M., Srinivasan B., Bonvin D., Schumacher M.M. On the rank deficiency and rank augmentation of the spectral measurement matrix. Chemometrics and Intelligent Laboratory Systems 1996, 33:17-33.
6. Izquierdo-Ridorsa A., Saurina J., Hernández-Cassou S., Tauler R. Second-order multivariate curve resolution applied to rank-deficient data obtained from acid-base spectrophotometric titrations of mixtures of nucleic bases. Chemometrics and Intelligent Laboratory Systems 1997, 38:183-196.
7. Saurina J., Hernández-Cassou S., Tauler R., Izquierdo-Ridorsa A. Multivariate resolution of rank-deficient spectrophotometric data from first-order kinetic decomposition reactions. Journal of Chemometrics 1998, 12:183-203.
8. Wang Y., Kowalski B.R. Standardization of second-order instruments. Analytical Chemistry 1993, 65:1174-1180.
9. Feudale R.N., Woody N.A., Tan H., Myles A.J., Brown S.D., Ferré J. Transfer of multivariate calibration models: a review. Chemometrics and Intelligent Laboratory Systems 2002, 64:181-192.
10. Zhang L., Small G.W., Arnold M.A. Multivariate Calibration Standardization across Instruments for the Determination of Glucose by Fourier Transform Near-Infrared Spectrometry. Analytical Chemistry 2003, 75:5905-5915.
11. Pavón J.L.P., Sánchez M.N., Pinto C.G., Laespada M.E.F., Cordero B.M. Calibration Transfer for Solving the Signal Instability in Quantitative Headspace-Mass Spectrometry. Analytical Chemistry 2003, 75:6361-6367.
12. Chen C.-S., Brown C.W., Lo S.-C. Calibration Transfer from Sample Cell to Fiber-Optic Probe. Applied Spectroscopy 1997, 51:744-748.
13. Lin J., Lo S.-C., Brown C.W. Calibration transfer from a scanning near-IR spectrophotometer to a FT-near-IR spectrophotometer. Analytica Chimica Acta 1997, 349:263-269.
14. Barboza F.D., Poppi R.J. Determination of alcohol content in beverages using short-wave near-infrared spectroscopy and temperature correction by transfer calibration procedures. Analytical and Bioanalytical Chemistry 2003, 377:695-701.
15. Koehler G.W., Small R.J., Combs R.B., Knapp R.T. Kroutil, Calibration Transfer Algorithm for Automated Qualitative Analysis by Passive Fourier Transform Infrared Spectrometry. Analytical Chemistry 2000, 72:1690-1698.
16. Zhang L., Small G.W., Arnold M.A. Calibration Standardization Algorithm for Partial Least-Squares Regression:  Application to the Determination of Physiological Levels of Glucose by Near-Infrared Spectroscopy. Analytical Chemistry 2002, 74:4097-4108.
17. Alam T.M., Alam M.K., McIntyre S.K., Volk D.E., Neerathilingam M., Luxon B.A. Investigation of Chemometric Instrumental Transfer Methods for High-Resolution NMR. Analytical Chemistry 2009, 81:4433-4443.
18. Amat-Tosello S., Dupuy N., Kister J. Contribution of external parameter orthogonalisation for calibration transfer in short waves-Near infrared spectroscopy application to gasoline quality. Analytica Chimica Acta 2009, 642:6-11.
19. Wang Z., Dean T., Kowalski B.R. Additive Background Correction in Multivariate Instrument Standardization. Analytical Chemistry 1995, 67:2379-2385.
20. Tortajada-Genaro L.A., Campíns-Falcó P., Bosch-Reig F. Calibration transfer in chemiluminescence analysis: Application to chromium determination by luminol-hydrogen peroxide reaction. Analytica Chimica Acta 2001, 446:383-390.
21. Igne B., Roger J.-M., Roussel S., Bellon-Maurel V., Hurburgh C.R. Improving the transfer of near infrared prediction models by orthogonal methods. Chemometrics and Intelligent Laboratory Systems 2009, 99:57-65.
22. Herrero A., Ortiz M.C. Multivariate calibration transfer applied to the routine polarographic determination of copper, lead, cadmium and zinc. Analytica Chimica Acta 1997, 348:51-59.
23. Gamella M., Campuzano S., Reviejo A.J., Pingarrãn J.M. Electrochemical Estimation of the Polyphenol Index in Wines Using a Laccase Biosensor. Journal of Agricultural and Food Chemistry 2006, 54:7960-7967.
24. del Nogal Sánchez M., Pérez Pavón J.L., Fernández Laespada M.E., García Pinto C., Moreno Cordero B. Factors affecting signal intensity in headspace mass spectrometry for the determination of hydrocarbon pollution in beach sands. Analytical and Bioanalytical Chemistry 2005, 382:372-380.
25. de Noord O.E. Multivariate calibration standardization. Chemometrics and Intelligent Laboratory Systems 1994, 25:85-97.
26. Tan H.-W., Brown S.D. Wavelet hybrid direct standardization of near-infrared multivariate calibrations. Journal of Chemometrics 2001, 15:647-663.
27. Larkin M.J., Day M.J. Direct fluorimetric determination of carbaryl insecticide and its hydrolysis product 1-naphthol. Analytica Chimica Acta 1979, 108:425-427.
28. Zhu S.-H., Wu H.-L., Xia A.L., Han Q.-J., Zhang Y., Yu R.-Q. Quantitative analysis of hydrolysis of carbaryl in tap water and river by excitation-emission matrix fluorescence coupled with second-order calibration. Talanta 2008, 74:1579-1585.
29. Zhu S.-H., Wu H.-L., Xia A.L., Nie J.-F., Bian Y.-C., Cai C.-B., Yu R.-Q. Excitation-emission-kinetic fluorescence coupled with third-order calibration for quantifying carbaryl and investigating the hydrolysis in effluent water. Talanta 2009, 77:1640-1646.
30. Tsogas G.Z., Giokas D.L., Nikolakopoulos P.G., Vlessidis A.G., Evmiridis N.P. Determination of the pesticide carbaryl and its photodegradation kinetics in natural waters by flow injection-direct chemiluminescence detection. Analytica Chimica Acta 2006, 573-574:354-359.
31. http://www.grandcountywater.com/CarbarylInsecticideHazardData.htm.
32. Neuhold Y.-M., Maeder M. Hard-modelled trilinear decomposition (HTD) for an enhanced kinetic multicomponent analysis. Journal of Chemometrics 2002, 16:218-227.
33. Puxty G., Maeder M., Hungerbühler K. Tutorial on the fitting of kinetics models to multivariate spectroscopic measurements with non-linear least-squares regression. Chemometrics and Intelligent Laboratory Systems 2006, 81:149-164.
34. Vosough M., Maeder M., Jalali-Heravi M., Norman S.E. Model-based analysis for kinetic complexation study of Pizda and Cu (II). Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2008, 70:674-681.
35. Billeter J., Neuhold Y.-M., Hungerbühler K. Kinetic hard-modelling and spectral validation of rank-deficient spectroscopic data: A case study. Chemometrics and Intelligent Laboratory Systems 2009, 98:213-226.
36. Kompany-Zareh M., Khoshkam M. Application of Chemometrics Methods with Kinetic Constraints for Estimation of Rate Constants of Second Order Consecutive Reactions. Analytical Sciences 2008, 24:637-645.
37. Maeder M., Zuberbuehler A.D. Nonlinear least-squares fitting of multivariate absorption data. Analytical Chemistry 1990, 62:2220-2224.
38. http://www.alglib.net/optimization/levenbergmarquardt.php.
39. Bouveresse E., Hartmann C., Massart D.L., Last I.R., Prebble K.A. Standardization of Near-Infrared Spectrometric Instruments. Analytical Chemistry 1996, 68:982-990.
40. Griffiths M.L., Svozil D., Worsfold P., Hywel Evans E. The application of piecewise direct standardisation with variable selection to the correction of drift in inductively coupled atomic emission spectrometry. Journal of Analytical Atomic Spectrometry 2006, 21:1045-1052.
41. Wang Y., Lysaght M.J., Kowalski B.R. Improvement of multivariate calibration through instrument standardization. Analytical Chemistry 1992, 64:562-564.
42. Goodacre R., Timmins É.M., Jones A., Kell D.B., Maddock J., Heginbothom M.L., Magee J.T. On mass spectrometer instrument standardization and interlaboratory calibration transfer using neural networks. Analytica Chimica Acta 1997, 348:511-532.
43. Wang Y., Veltkamp D.J., Kowalski B.R. Multivariate instrument standardization. Analytical Chemistry 1991, 63:2750-2756.
44. Kramer K.E., Morris R.E., Rose-Pehrsson S.L. Comparison of two multiplicative signal correction strategies for calibration transfer without standards. Chemometrics and Intelligent Laboratory Systems 2008, 92:33-43.
45. Kennard R.W., Stone L.A. Computer Aided Design of Experiments. Technometrics 1969, 11:137-148.
46. Blank T.B., Sum S.T., Brown S.D., Monfre S.L. Transfer of Near-Infrared Multivariate Calibrations without Standards. Analytical Chemistry 1996, 68:2987-2995.