Resolution of Voltammetric Peaks Using Chemometric Multivariate Calibration Methods

Antunes, Maria Cristina G.; Simão, João E.J.; Duarte, Armando C.

doi:10.1002/1521-4109(200108)13:12<1041::aid-elan1041>3.0.co;2-z

Cited by 16 publications

(3 citation statements)

References 22 publications

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“…This method involves the factor decomposition of the experimental data, such as voltammetric data in this case, into a reduced set of latent variables (components or factors). These latent variables are linear combinations of original variables that correlate optimally with the variables to be predicted 37. In our particular case, the purpose of the PLS regression method was to build up a prediction model for the concentration of the two analytes (Pb and Cd) in unknown samples using efficiently the information contained in the voltammograms and the concentration of the analytes in the calibration samples.…”

Section: Chemometrics Methodologiesmentioning

confidence: 99%

“…Thus, in this work the possibility to extract qualitative and quantitative analytical information through the application of MCR‐ALS to unresolved voltammetric peaks of Pb and Cd recorded using a vibrating gold microwire electrode is explored. Since other multivariate calibration methods, particularly based on partial least squares (PLS) regression, are also frequently used to extract analytical information from spectrometric and also voltammetric signals 15, 36, 37, the results obtained by the MCR‐ALS method were compared with those achieved by the PLS and classical regression (CLS) methods.…”

Section: Introductionmentioning

confidence: 99%

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Simultaneous Anodic Stripping Voltammetric Determination of Pb and Cd, Using a Vibrating Gold Microwire Electrode, Assisted by Chemometric Techniques

et al. 2013

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Simultaneous anodic stripping voltammetric determination of Pb and Cd is restricted on gold electrodes as a result of the overlapping of these two peaks. This work describes the quantitative determination of a binary mixture system of Pb and Cd, at low concentration levels (up to 15.0 and 10.0 µg L−1 for Pb and Cd, respectively) by differential pulse anodic stripping voltammetry (DPASV; deposition time of 30 s), using a green electrode (vibrating gold microwire electrode) without purging in a chloride medium (0.5 M NaCl) under moderate acidic conditions (HCl 1.0 mM), assisted by chemometric tools. The application of multivariate curve resolution alternating least squares (MCR‐ALS) for the resolution and quantification of both metals is shown. The optimized MCR‐ALS models showed good prediction ability with concentration prediction errors of 12.4 and 11.4 % for Pb and Cd, respectively. The quantitative results obtained by MCR‐ALS were compared to those obtained with partial least squares (PLS) and classical least squares (CLS) regression methods. For both metals, PLS and MCR‐ALS results are comparable and superior to CLS. For Cd, as a result of the peak shift problem, the application of CLS was unsuitable. MCR‐ALS provides additional advantage compared to PLS since it estimates the pure response of the analytes signal. Finally, the built up multivariate calibration models, based either in MCR‐ALS or PLS regression, allowed to quantify concentrations of Pb and Cd in surface river water samples, with satisfactory results.

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Section: Chemometrics Methodologiesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Simultaneous Anodic Stripping Voltammetric Determination of Pb and Cd, Using a Vibrating Gold Microwire Electrode, Assisted by Chemometric Techniques

et al. 2013

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“…a n a l y t i c a c h i m i c a a c t a 6 2 6 ( 2 0 0 8 )[130][131][132][133][134][135][136][137][138][139][140][141][142][143][144][145][146] …”

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Does chemometrics enhance the performance of electroanalysis?

Kokot

2008

Analytica Chimica Acta

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Comparison of Different PLS Algorithms for Simultaneous Determination of Cd(II), Cu(II), Pb(II), and Zn(II) by Anodic Stripping Voltammetry at Bismuth Film Electrode

Pinto

Lemos

2013

Electroanalysis

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In this work we evaluated the use of different variable selection techniques combined with partial least‐squares regression (PLS) – genetic algorithm PLS (GA‐PLS), interval PLS (iPLS), and synergy interval PLS (siPLS) – in the simultaneous determination of Cd(II), Cu(II), Pb(II) and Zn(II) by anodic stripping voltammetry at a bismuth film. Generally, variable selection provided an improvement in prediction results when compared to full‐voltammogram PLS. The use of interval selection based algorithms have shown to be most adequate than the selection of discrete variables by GA. Excellent analytical performances were obtained despite the inherent complexity of the simultaneous determination.

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Resolution of Voltammetric Peaks Using Chemometric Multivariate Calibration Methods

Cited by 16 publications

References 22 publications

Simultaneous Anodic Stripping Voltammetric Determination of Pb and Cd, Using a Vibrating Gold Microwire Electrode, Assisted by Chemometric Techniques

Simultaneous Anodic Stripping Voltammetric Determination of Pb and Cd, Using a Vibrating Gold Microwire Electrode, Assisted by Chemometric Techniques

Does chemometrics enhance the performance of electroanalysis?

Comparison of Different PLS Algorithms for Simultaneous Determination of Cd(II), Cu(II), Pb(II), and Zn(II) by Anodic Stripping Voltammetry at Bismuth Film Electrode

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