Application of Multiway Chemometric Techniques for Analysis of AC Voltammetric Data

Jaworski, Aleksander; Wikiel, Hanna; Wikiel, Kazimierz

doi:10.1002/elan.200804453

Cited by 14 publications

(41 citation statements)

References 23 publications

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“…A constraint in selecting the optimum range is that it must be a multiple of the narrowest range. The number of times the optimum range is a multiple of the narrowest range is called denominator [19]. For instance, for the range of index k = 3 the value of denominator is 2 ( Table 2).…”

Section: Waveform Design For Specific Outlier Detectionmentioning

confidence: 99%

“…PARAFAC [30,31] is one of most commonly used multiway decomposition methods. Its concise description matching the formalism applied throughout this paper is presented in [19].…”

Section: Outlier Detection Techniquesmentioning

confidence: 99%

“…Application of the proper preprocessing is an important aspect of the multiway analysis [31]. The three-way array of voltammetric data was single-centered across the first mode and subsequently scaled within the second mode [19,21]. PARAFAC [30,31] is one of most commonly used multiway decomposition methods.…”

Section: Outlier Detection Techniquesmentioning

confidence: 99%

“…Wikiel et al [13] and Jaworski et al [15][16][17][18][19][20][21] reported the application of soft modeling techniques for the development of analytical models aimed at accurately and robustly predicting the concentrations of deliberately added bath constituents. Also, Wikiel et al [22] and Jaworski et al [23][24][25] employed various two-way soft modeling techniques for determinant analyses implemented on-line as early fault detection routines for industrial electroplating solutions.…”

Section: Introductionmentioning

confidence: 99%

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Voltammetry Coupled with Multiway Chemometrics for Monitoring and Diagnosis of Electrodeposition Process

Jaworski¹,

Wikiel²,

Wikiel³

2010

Electroanalysis

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A system for plating bath process monitoring and diagnosis was developed utilizing a novel approach that combines voltammetric methods with various statistical determinant analysis methods coupled with multiway data decomposition. The voltammetric methods employed were designed to provide a current response predominantly affected by the presence of specific contaminants while being practically insensitive to the varying concentrations of deliberately added bath constituents and other likely bath contaminants. The shape differences between deformed and training set voltammograms were quantified and visualized using two outlier detection chemometric techniques (Mahalanobis Distance (D) and D coupled with Q-residuals (D Q )) coupled with three-way decomposition PARAllel FACtor Analysis (PARAFAC) method. The specificity of the response to the presence of a likely contaminant combined with the multi-parameter quantification of its presence enabled not only early-fault detection but also its diagnosis, thereby automating the troubleshooting process.

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Section: Waveform Design For Specific Outlier Detectionmentioning

confidence: 99%

“…PARAFAC [30,31] is one of most commonly used multiway decomposition methods. Its concise description matching the formalism applied throughout this paper is presented in [19].…”

Section: Outlier Detection Techniquesmentioning

confidence: 99%

Section: Outlier Detection Techniquesmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Voltammetry Coupled with Multiway Chemometrics for Monitoring and Diagnosis of Electrodeposition Process

Jaworski¹,

Wikiel²,

Wikiel³

2010

Electroanalysis

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“…Wikiel et al [11] and Jaworski et al [12][13][14][15][16] extensively studied the application of soft modeling techniques for the development of analytical models aimed at accurately and robustly predicting the concentrations of deliberately added bath constituents. Also, Wikiel et al [17] and Jaworski et al [18] employed various soft modeling techniques for determinant analyses implemented online as early fault detection routines for industrial electroplating solutions.…”

Section: Introductionmentioning

confidence: 99%

Online Monitoring of Copper Damascene Electroplating Bath by Voltammetry: Selection of Variables for Multiblock and Hierarchical Chemometric Analysis of Voltammetric Data

Jaworski¹,

Wikiel²,

Wikiel³

2017

International Journal of Electrochemistry

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The Real Time Analyzer (RTA) utilizing DC- and AC-voltammetric techniques is an in situ, online monitoring system that provides a complete chemical analysis of different electrochemical deposition solutions. The RTA employs multivariate calibration when predicting concentration parameters from a multivariate data set. Although the hierarchical and multiblock Principal Component Regression- (PCR-) and Partial Least Squares- (PLS-) based methods can handle data sets even when the number of variables significantly exceeds the number of samples, it can be advantageous to reduce the number of variables to obtain improvement of the model predictions and better interpretation. This presentation focuses on the introduction of a multistep, rigorous method of data-selection-based Least Squares Regression, Simple Modeling of Class Analogy modeling power, and, as a novel application in electroanalysis, Uninformative Variable Elimination by PLS and by PCR, Variable Importance in the Projection coupled with PLS, Interval PLS, Interval PCR, and Moving Window PLS. Selection criteria of the optimum decomposition technique for the specific data are also demonstrated. The chief goal of this paper is to introduce to the community of electroanalytical chemists numerous variable selection methods which are well established in spectroscopy and can be successfully applied to voltammetric data analysis.

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Multiway Processing of Data Generated with a Potentiometric Electronic Tongue in a SIA System

Cartas¹,

Mimendia²,

Legin³

et al. 2011

Electroanalysis

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In this work a potentiometric electronic tongue based on an array of three Ion Selective Electrodes (ISEs) as sensor elements and multiway partial least squares (N-PLS2) regression method as processing tool has been developed for simultaneous quantification of Cd 2 + , Cu 2 + and Pb 2 + in aqueous solution mixtures. The sensor array was formed by two chalcogenide glass sensors selective to Cd 2 + and Cu 2 + plus one PVC membrane sensor selective to Pb 2 + . Preparation, measurement and injection of samples in a step profile were performed by an automated SIA system. Concentration range covered was 1.05 mM to 29.8 mM for Cd 2 + , 0.05 mM to 1.5 mM for Cu 2 + and 0.55 mM to 14.7 mM for Pb 2 + . Potentiometric recordings were arranged into a three-way array and treated by N-PLS2 regression method to obtain the calibration model. Prediction ability yielded RMSE values as low as 4.20 AE 0.37 mM, 0.094 AE 0.007 mM and 0.915 AE 0.006 mM, and correlation coefficients from linear regression analysis of 0.82 AE 0.038, 0.97 AE 0.005 and 0.97 AE 0.004 for Cd 2 + , Cu 2 + and Pb 2 + , respectively.

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Application of Multiway Chemometric Techniques for Analysis of AC Voltammetric Data

Cited by 14 publications

References 23 publications

Voltammetry Coupled with Multiway Chemometrics for Monitoring and Diagnosis of Electrodeposition Process

Voltammetry Coupled with Multiway Chemometrics for Monitoring and Diagnosis of Electrodeposition Process

Online Monitoring of Copper Damascene Electroplating Bath by Voltammetry: Selection of Variables for Multiblock and Hierarchical Chemometric Analysis of Voltammetric Data

Multiway Processing of Data Generated with a Potentiometric Electronic Tongue in a SIA System

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