Correction of temperature-induced spectral variations by loading space standardization

被引:34
作者
Chen, ZP [1 ]
Morris, J [1 ]
Martin, E [1 ]
机构
[1] Univ Newcastle Upon Tyne, Sch Chem Engn & Adv Mat, Ctr Proc Analyt & Control Technol, Newcastle Upon Tyne NE1 7RU, Tyne & Wear, England
关键词
D O I
10.1021/ac040119g
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
With a view to maintaining the validity of multivariate calibration models for chemical processes affected by temperature fluctuations, loading space standardization (LSS) is proposed. Through the application of LSS, multivariate calibration models built at temperatures other than those of the test samples can provide predictions with an accuracy comparable to the results obtained at a constant temperature. Compared with other methods, designed for the same purpose, such as continuous piecewise direct standardization, LSS has the advantages of straightforward implementation and good performance. The methodology was applied to shortwave NIR spectral data sets measured at different temperatures. The results showed that LSS can effectively remove the influence of temperature variations on the spectra and maintain the predictive abilities of the multivariate calibration models.
引用
收藏
页码:1376 / 1384
页数:9
相关论文
共 27 条
[1]   Optimizing meta-parameters in continuous piecewise direct standardization [J].
Bärring, HK ;
Boelens, HFM ;
de Noord, OE ;
Smilde, AK .
APPLIED SPECTROSCOPY, 2001, 55 (04) :458-466
[2]  
BLASER WW, 1995, ANAL CHEM, V67, P47
[3]  
CHEN ZP, 2004, DYCOPS
[4]   POTENTIAL OF FOURIER-TRANSFORM NEAR-INFRARED SPECTROSCOPY IN STUDIES OF THE DISSOCIATION OF FATTY-ACIDS IN THE LIQUID-PHASE [J].
CZARNECKI, MA ;
LIU, YL ;
OZAKI, Y ;
SUZUKI, M ;
IWAHASHI, M .
APPLIED SPECTROSCOPY, 1993, 47 (12) :2162-2168
[5]   REAL-TIME MONITORING OF POLYURETHANE PRODUCTION USING NEAR-INFRARED SPECTROSCOPY [J].
DETHOMAS, FA ;
HALL, JW ;
MONFRE, SL .
TALANTA, 1994, 41 (03) :425-431
[6]  
Devore J., 1997, Statistics: the exploration and analysis of data
[7]   ATR FTIR spectroscopy for in situ measurement of supersaturation [J].
Dunuwila, DD ;
Berglund, KA .
JOURNAL OF CRYSTAL GROWTH, 1997, 179 (1-2) :185-193
[8]   Multivariate calibration with temperature interaction using two-dimensional penalized signal regression [J].
Eilers, PHC ;
Marx, BD .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2003, 66 (02) :159-174
[9]   PREDICTION OF PRODUCT QUALITY FROM SPECTRAL DATA USING THE PARTIAL LEAST-SQUARES METHOD [J].
FRANK, IE ;
FEIKEMA, J ;
CONSTANTINE, N ;
KOWALSKI, BR .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1984, 24 (01) :20-24
[10]   Calibration of fiber optic based surface plasmon resonance sensors in aqueous systems [J].
Gentleman, DJ ;
Obando, LA ;
Masson, JF ;
Holloway, JR ;
Booksh, KS .
ANALYTICA CHIMICA ACTA, 2004, 515 (02) :291-302