Limits of detection in multivariate calibration

Bauer, Gottfried; Wegscheider, Wolfhard; Ortner, Hugo M.

doi:10.1007/bf00324468

Cited by 38 publications

(14 citation statements)

References 15 publications

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“…Infelizmente, como as concentrações dos analitos não são consideradas no número de condição, este serve apenas como uma orientação do erro analítico máximo esperado. A inclusão das concentrações dos padrões de calibração em modelos de seletividade permite estimar os limites de detecção multivariados [10][11][12] .…”

Section: Seletividadeunclassified

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Recomendações para calibração em Química Analítica parte 2: calibração multianalito

Pimentel¹,

Galvão²,

Araújo³

2008

Quím. Nova

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This paper is a translation of an IUPAC document by K. Danzer, M. Otto and L. A. Currie (Pure Appl. Chem., 2004, 76(6), 1215-1225). Its goal is to establish a uniform and meaningful standard for terminology (in Portuguese), notation, and formulation concerning multispecies calibration in analytical chemistry. Calibration in analytical chemistry refers to the relation between sample domain and measurement domain (signal domain) expressed by an analytical function x = f s (Q) representing a pattern of chemical species Q and their amounts or concentrations x in a given test sample and a measured function y = f (z) that may be a spectrum, chromatogram, etc. Simultaneous multispecies analyses are carried out mainly by spectroscopic and chromatographic methods in a more or less selective way. For the determination of n species Qi (i=1,2, ..., n), at least n signals must be measured which should be well separated in the ideal case. In analytical practice, the situation can be different

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Section: Seletividadeunclassified

“…Nesta situação completamente seletiva, o seguinte sistema de Equações 1a -1c corresponde à matriz A da Equação 3: 10 …”

Section: Introductionunclassified

Recomendações para calibração em Química Analítica parte 2: calibração multianalito

Pimentel¹,

Galvão²,

Araújo³

2008

Quím. Nova

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show abstract

“…Unfortunately, the condition number does not consider the concentrations of the species and gives therefore only an aid to orientation of maximum expectable analytical errors. Inclusion of the concentrations of calibration standards into selectivity models makes it possible to derive multivariate limits of detection [10][11][12].…”

Section: Selectivitymentioning

confidence: 99%

Guidelines for calibration in analytical chemistry. Part 2: Multicomponent calibration (IUPAC Technical Report)

Danzer¹,

Otto²,

Currie³

2004

Pure and Applied Chemistry

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Calibration in analytical chemistry refers to the relation between sample domain and measurement domain (signal domain) expressed by an analytical function x = fs(Q) representing a pattern of chemical species Q and their amounts or concentrations x in a given test sample on the one hand and a measured function y = f(z) that may be a spectrum, chromatogram, etc. Simultaneous multispecies analyses are carried out mainly by spectroscopic and chromatographic methods in a more or less selective way. For the determination of n species Qi (i = 1,2 …n), at least n signals must be measured which should be well separated in the ideal case. In analytical practice, the situation can be different.

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“…evaluated directly from the univariate definition of this parameter. Several approaches have been proposed to evaluate the LOD in a multivariate procedure [18][19][20][21]. In this study, this parameter was calculated from the following equation [21].…”

Section: Pahs Extraction In Tap and River Watermentioning

confidence: 99%

Modeling of inner filter effect in synchronous spectrofluorimetry by using partial least squares

et al. 2000

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Abstract. This paper deals with a very common problem on spectrofluorimetry: the inner-filter effect. This limitation has made spectrofluorimetry into a disadvantageous technique for the quantification of individual compounds in complex mixtures, however, a lot of papers have quantified compounds as fluorene in mixtures where other Polycyclic Aromatic Hydrocarbons (PAHs) absorb part of the energy emitted by fluorene without taking account this limitation. The inner-effect filter for fluorene is easily detectable in spectrofluorimetric measurements in mixtures where there are compounds, such as benzo(k)fluoranthene, indeno(1,2,3-cd)pyrene and pyrene. The application of methods, such as Multiple Linear Regression (MLR) to the quantification of fluorene in mixtures containing compounds capable to quench its signal, provides high errors in the analytical results. This point is carefully treated in our paper. The precise and accurate quantification of fluorene in presence of benzo(k)fluoranthene, indene(1,2,3-cd)pyrene and pyrene, was achieved by constant-wavelength synchronous fluorimetry in combination with Partial Least Squares (PLS) calibration.

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Limits of detection in multivariate calibration

Cited by 38 publications

References 15 publications

Recomendações para calibração em Química Analítica parte 2: calibração multianalito

Recomendações para calibração em Química Analítica parte 2: calibração multianalito

Guidelines for calibration in analytical chemistry. Part 2: Multicomponent calibration (IUPAC Technical Report)

Modeling of inner filter effect in synchronous spectrofluorimetry by using partial least squares

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