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Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

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Basics of Multivariate Analysis in Neuroimaging Data
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Published on: July 24, 2010

A novel second-order standard addition analytical method based on data processing with multidimensional partial

Valeria A Lozano1, Gabriela A Ibañez, Alejandro C Olivieri

  • 1Departamento de Química Analítica, Facultad de Ciencias Bioquímicas y Farmacéuticas, Universidad Nacional de Rosario and Instituto de Química Rosario (IQUIR-CONICET), Suipacha 531, Rosario S2002LRK, Argentina.

Analytica Chimica Acta
|September 29, 2009
PubMed
Summary

This study introduces a modified second-order standard addition method for accurate analyte quantitation, even with complex background signals. The novel approach enhances multivariate calibration techniques, improving analytical results in serum analysis.

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Area of Science:

  • Analytical Chemistry
  • Chemometrics
  • Spectroscopy

Background:

  • Analyte quantitation is challenging with background signals and analyte-background interactions.
  • Second-order multivariate calibration and standard addition are crucial for achieving the second-order advantage.
  • Existing methods require careful optimization for complex matrices.

Purpose of the Study:

  • To present a modified second-order standard addition method for improved analyte quantitation.
  • To demonstrate the applicability of this method with various multivariate calibration techniques.
  • To evaluate the method's performance using simulated and experimental data.

Main Methods:

  • A modified second-order standard addition method involving subtraction of test data from standard addition matrices.
  • Application of parallel factor analysis (PARAFAC), multivariate curve resolution-alternating least-squares (MCR-ALS), and partial least-squares coupled to residual bilinearization (PLS/RBL).
  • Evaluation using simulated data and experimental datasets for salicylate and danofloxacin in human serum.

Main Results:

  • The modified method allows the use of PARAFAC, MCR-ALS, and PLS/RBL for quantitation.
  • The multidimensional N-PLS/RBL variant demonstrated superior analytical performance.
  • Accurate determination of salicylate and danofloxacin in human serum was achieved despite interferents.

Conclusions:

  • The novel data processing method effectively handles analyte-background interactions and background signals.
  • This approach enhances the flexibility and accuracy of second-order calibration methods.
  • The modified second-order standard addition is a robust technique for complex analytical challenges in serum analysis.