Evaluation of synthetic liquid chromatography-diode array detection-mass spectrometry data for the determination of enzyme kinetics

被引：6

作者：

Bezemer, E ^{[1
]}

Rutan, S ^{[1
]}

机构：

[1] Virginia Commonwealth Univ, Dept Chem, Richmond, VA 23284 USA

来源：

ANALYTICA CHIMICA ACTA | 2003年 / 490卷 / 1-2期

关键词：

enzyme kinetics; LC-DAD-MS data; computer simulations; multivariate curve resolution-alternating least squares (MCR-ALS);

D O I：

10.1016/S0003-2670(03)00356-8

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

In this paper, we investigate the accuracy and precision of the results from diode array detector (DAD) data and mass spectrometry (MS) data as obtained subsequent to chromatographic separations using computer simulations. Special attention was given to simulations of multiple injections from a developing enzymatic reaction. These simulations result in three-way LC-DAD-MS kinetic data; LC-DAD and LC-MS data were also evaluated independently in this investigation. The noise characteristics of the MS detector prevent accurate determination of the individual reaction rate constants by the analysis method. Using the data from the DAD in combination with the MS detector results in improved estimation of the rate constants. The results also indicate that the higher resolving power of the MS information compensates for the lower signal-to-noise ratio in these data, compared to DAD data. (C) 2003 Elsevier Science B.V. All rights reserved.

引用

页码：17 / 29

页数：13

共 32 条

[1]

[Anonymous], 1990, Journal ofChemometrics, DOI DOI 10.1002/CEM.1180040105

[2] Multivariate curve resolution with non-linear fitting of kinetic profiles [J].

Bezemer, E ;

Rutan, SC .

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2001, 59 (1-2) :19-31

[3] Three-way alternating least squares using three-dimensional tensors in MATLAB® [J].

Bezemer, E ;

Rutan, SC .

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2002, 60 (1-2) :239-251

[4] Study of the hydrolysis of a sulfonylurea herbicide using liquid chromatography with diode array detection and mass spectrometry by three-way multivariate curve resolution-alternating least squares [J].

Bezemer, E ;

Rutan, S .

ANALYTICAL CHEMISTRY, 2001, 73 (18) :4403-4409

[5] Determination of rate constants in second-order kinetics using UV-visible spectroscopy [J].

Bijlsma, S ;

Boelens, HFM ;

Smilde, AR .

APPLIED SPECTROSCOPY, 2001, 55 (01) :77-83

[6] EXTENSION OF TRILINEAR DECOMPOSITION METHOD WITH AN APPLICATION TO THE FLOW PROBE SENSOR [J].

BOOKSH, KS ;

LIN, ZH ;

WANG, ZY ;

KOWALSKI, BR .

ANALYTICAL CHEMISTRY, 1994, 66 (15) :2561-2569

[7] Identification and quantification of overlapped peaks in liquid chromatography with UV diode array detection using an adaptive Kalman filter [J].

Chen, JC ;

Rutan, SC .

ANALYTICA CHIMICA ACTA, 1996, 335 (1-2) :1-10

[8] Assessment of new constraints applied to the alternating least squares method [J].

deJuan, A ;

VanderHeyden, Y ;

Tauler, R ;

Massart, DL .

ANALYTICA CHIMICA ACTA, 1997, 346 (03) :307-318

[9] Procrustes analysis for the determination of number of significant masses in gas chromatography mass spectrometry [J].

Demir, C ;

Hindmarch, P ;

Brereton, RG .

ANALYST, 1996, 121 (10) :1443-1449

[10] Deacylation kinetics analysis of Streptococcus pneumoniae penicillin-binding protein 2x mutants resistant to β-lactam antibiotics using electrospray ionization-mass spectrometry [J].

Di Guilmi, AM ;

Mouz, N ;

Pétillot, Y ;

Forest, E ;

Dideberg, O ;

Vernet, T .

ANALYTICAL BIOCHEMISTRY, 2000, 284 (02) :240-246

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