Test for non-linearity concerning linear calibrated chemical measurements

Brüggemann, L.; Quapp, Wolfgang; Wennrich, Rainer

doi:10.1007/s00769-006-0205-x

Cited by 54 publications

(32 citation statements)

References 3 publications

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“…), mostly because in current situations we have a small number of standards and, accordingly, the plots are very limited indeed in the detection of trends. Similarly, statistics like Durbin-Watson's test, 50 the Cook's distance, the Mahalanobis distance or the leverage 48 would benefit from a large number of standards. A test for homoscedasticity proposed by Cook and Weisberg was discussed recently by Meloun and coworkers.…”

Section: Residuals and Outlying Datamentioning

confidence: 99%

“…Bru¨ggermann et al presented a more elaborated test, developed by Mark and Workman, 50 and exemplified it with an ICP (inductively coupled plasma spectrometry) procedure. In essence, it develops a polynomial model and then tests for the statistical significance of the regression coefficients.…”

Section: Mandel's Testmentioning

confidence: 99%

“…This statistic is compared to the critical value in a one-tailed F table for a given confidence level and 1 and n -3 degrees of freedom for the numerator and denominator, respectively. As long as the experimental statistic does not overpass the critical value the null hypothesis cannot be rejected (H 0 : there are no significant differences between the residual variances of both models) 50 and, accordingly, the quadratic model cannot be selected on statistical grounds.…”

Section: Mandel's Testmentioning

confidence: 99%

“…4 This test, despite being simple and quite straightforward, has not been used broadly although its use has increased steadily. 38,50,59 A reason for its lack of popularity might be reluctance of analysts to fit a set of data to a polynomial model. Nevertheless, this is nowadays quite simple thanks to the availability of spreadsheets and statistical programs, and a quadratic least squares fit can be implemented easily with a popular spreadsheet.…”

Section: Appendix 1 Mandel's Test To Check For Linearitymentioning

confidence: 99%

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Classical Linear Regression by the Least Squares Method

Andrade-Garda

Carlosena

Soto-Ferreiro

et al. 2013

Basic Chemometric Techniques in Atomic Spectroscopy

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The objective of this chapter is to present some fundamental issues that every atomic spectrometry practitioner should keep in mind when developing a calibration. However familiar this may sound it is definitely a critical step, as important as the development of proper experimental measurement conditions. The fundamentals of the least squares fit are presented and discussed, with special emphasis on the practical limitations we currently experience in laboratories. Many discussions will be devoted to validation of the model and to clarification of some misconceptions that appear sometimes in the literature. The widely applied standard additions method is reviewed and discussed to show that extrapolation is a risky practice that can be avoided very easily. Polynomials of order two (quadratic) provide the analyst with a readily available means of matching points from a curved calibration to a function suitable for interpolation. However, extra caution is necessary to avoid lack of fit, and even small extrapolations beyond the calibrated range are unwise. Finally, two appendixes are included to discuss in some detail the correct use of the Mandel’s test for linearity and how to compare two regression lines (typically, the aqueous calibration fit and the standard additions one).

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Section: Residuals and Outlying Datamentioning

confidence: 99%

Section: Mandel's Testmentioning

confidence: 99%

Section: Mandel's Testmentioning

confidence: 99%

Section: Appendix 1 Mandel's Test To Check For Linearitymentioning

confidence: 99%

See 2 more Smart Citations

Classical Linear Regression by the Least Squares Method

Andrade-Garda

Carlosena

Soto-Ferreiro

et al. 2013

Basic Chemometric Techniques in Atomic Spectroscopy

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show abstract

“…Instead, reference works often contain references to statistical software, unavailable or unclear to the reader. 3,4 In our approach of the problem, standard programs like Origin, Excel or Libre Office will suffice.…”

Section: Introductionmentioning

confidence: 99%

Partial oxidation of n-pentane over vanadium phosphorus oxide supported on hydroxyapatites

Gorst-Allman¹,

Naude

2016

S.Afr.j.chem.

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Nonlinear calibrations on the assay of dilitiazem and two of its metabolites from plasma samples by means of liquid chromatography and ESI/MS² detection: application to a bioequivalence study

Georgita¹,

Albu²,

David³

et al. 2007

Biomedical Chromatography

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The assay of diltiazem (DLTZ) and its active metabolites desacetyldiltiazem (DAcD) and desmethyldiltiazem (DMeD) in plasma samples was achieved by means of an HPLC/(ESI)MS(2) method. The diastereoisomer of diltiazem, namely {(2R,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate} was used as internal standard (IS). Sample preparation was based on protein precipitation by means of organic solvent addition (acetonitrile). The isocratic elution based on a reversed-phase mechanism allows good separation of the analytes within 15 min. Atmospheric pressure electrospray ionization was used. All analytes were monitored in the MS(2)-MRM mode. A fragmentation schema is proposed for the target compounds. As the method was designed for bioequivalence purposes, a full validation procedure was considered. On validation, nonlinear calibrations were observed. Consequently, concentration intervals requiring nonlinear calibrations are discussed. Low limits of quantification in the 0.6-1 ng/mL concentration range were obtained. The analytical method was successfully applied to a single dose (120 mg), open-label, randomized, two-period, two-sequence, crossover bioequivalence study of two commercially available solid oral dosage pharmaceutical formulations (tablets).

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Test for non-linearity concerning linear calibrated chemical measurements

Cited by 54 publications

References 3 publications

Classical Linear Regression by the Least Squares Method

Classical Linear Regression by the Least Squares Method

Partial oxidation of n-pentane over vanadium phosphorus oxide supported on hydroxyapatites

Nonlinear calibrations on the assay of dilitiazem and two of its metabolites from plasma samples by means of liquid chromatography and ESI/MS² detection: application to a bioequivalence study

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Test for non-linearity concerning linear calibrated chemical measurements

Cited by 54 publications

References 3 publications

Classical Linear Regression by the Least Squares Method

Classical Linear Regression by the Least Squares Method

Partial oxidation of n-pentane over vanadium phosphorus oxide supported on hydroxyapatites

Nonlinear calibrations on the assay of dilitiazem and two of its metabolites from plasma samples by means of liquid chromatography and ESI/MS2 detection: application to a bioequivalence study

Contact Info

Product

Resources

About

Nonlinear calibrations on the assay of dilitiazem and two of its metabolites from plasma samples by means of liquid chromatography and ESI/MS² detection: application to a bioequivalence study