A second-order standard addition method based on the data treatment by calculation of variation matrix of kinetic systems analyzed by MCR-ALS

Abstract

Um método novo é proposto para resolver dados de cinética-espectrométrica de misturas do tipo multicomponentes e para a determinação de analito(s) na presença de matriz desconhecida. O método utiliza dados de matrizes de variação pelo deslocamento de alvo, denominado espaço de reação. A matriz de variação é obtida pela subtração do espectro do ponto-zero (isto é, primeiro espectro) de cada espectro a cada tempo. Este deslocamento espacial diminui os números de classificação para os números de reações. A resolução da curva de auto-modelagem é usada para resolver as matrizes dos dados de cinética-espectrométrica por matrizes de analitos. Além do mais, o método de adição padrão de segunda ordem é usado para remover o efeito(s) das matrizes para quando se analisa amostras desconhecidas. Isto significa que, a análise quantitativa pode ser realizada pela argumentação da matriz de variação das amostras desconhecidas e amostras adicionadas de padrão e, em seguida, traçar a curva de calibração de adição de padrão. A aplicabilidade do método proposto é avaliada usando dados modelo e real de misturas de analitos.A new method is proposed to resolve the kinetic-spectrophotometric data of multicomponent mixtures and determination of analyte(s) in the presence of unknown matrix. The method uses variation matrix data by shifting to another target, namely the reaction space. The variation matrix is obtained by subtracting the zero-point spectrum (e.g., first spectrum) from each spectrum at each time. This space shifting decreases the rank numbers to the numbers of reactions. Self-modeling curve resolution is used to resolve the variation matrices of kinetic-spectrophotometric data for mixtures of analytes. In addition, second-order standard addition method is used to remove the matrix effect(s) when analyze unknown samples. This means that, quantitative analysis can be performed by augmentation of the variation matrix of the unknown samples and standard added samples and, then, plotting standard addition calibration curve. The applicability of the proposed method is evaluated using model and real data for mixtures of analytes.

Determination of complex stabilities with 1,10-phenanthroline-5,6-dione as ligand for the complexation of several transition metallic cations using chemometrics methods

“…Also, the implementation of a physicochemical model in the resolution process can help to decrease the ambiguity of the related profiles quite considerably. MCR-ALS has been used for different purposes [27][28][29][30][31], in this work it was used for model finding. .…”

A perspective on the growth of chemometrics in Iran: a glance into activities between 2005 and 2012

“…There are different reports in literature on the application of curve resolution methods to quantitative analysis, monitoring of chemical process, and multiwavelength spectrophotometric determination of the stability constants by Iranian scholars [30,[60][61][62][63][64][65]. [67].…”

Simultaneous kinetic spectrophotometric determination of Sn(II) and Co(II) by the calculation of the variation of ratio kinetic profiles

“…Under such condi tions, the selectivity of the univariate approach is very low and the prediction is poor [20]. Recently, different two way and three way chemometrics methods were used for multicomponent determination using kinetic spectrophotometric data [21][22][23][24]. However, development of a simple method is very important.…”