Analytical and Bioanalytical Chemistry

, Volume 385, Issue 4, pp 708–715 | Cite as

Evaluation of the application of attenuated total reflectance–Fourier transform infrared spectrometry (ATR–FTIR) and chemometrics to the determination of nutritional parameters of yogurt samples

  • J. Moros
  • F. A. Iñón
  • M. Khanmohammadi
  • S. Garrigues
  • M. de la GuardiaEmail author
Original Paper


A critical evaluation of the application of attenuated total reflectance–Fourier transform infrared spectroscopy (ATR–FTIR) and partial least squares (PLS) to the determination of several nutritional parameters, such as the energetic value and the carbohydrate, protein and calcium contents, in commercially available yogurt samples was carried out. To this end, a highly heterogeneous population of 48 samples covering a wide range of yogurts obtained from the Spanish market was used. After correcting the spectra, hierarchical cluster analysis was performed in order to select a representative calibration set and the corresponding validation sample set. Different PLS models and several spectral windows were tested in order to evaluate their prediction capabilities for the validation set. For all nutritional parameters, with the exception of fat content, the procedure developed here provided good precision; the values obtained complied with the statutory values declared by the US FDA.


Carbohydrates Fat Protein Calories Yogurt Hierarchical cluster analysis PLS Attenuated total reflectance Infrared 



The financial support from the Oficina de Ciència i Tecnologia de la Conselleria d’ Innovació i Competivitat de la Generalitat Valenciana (Project GV 01-249, Grupos 03-118 and the grant for the invited professor F.A. Iñón), Universitat de València (Project UV-AE-20050203) and the University of Buenos Aires (X013) is acknowledged. Professor Khnamohammadi acknowledges Imam Khomeini International University, Qazvin, Iran.


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Copyright information

© Springer-Verlag 2006

Authors and Affiliations

  • J. Moros
    • 1
  • F. A. Iñón
    • 2
    • 4
  • M. Khanmohammadi
    • 3
  • S. Garrigues
    • 1
  • M. de la Guardia
    • 1
    Email author
  1. 1.Analytical Chemistry DepartmentUniversitat de ValenciaBurjassotSpain
  2. 2.JENCK S.A.Buenos AiresArgentina
  3. 3.Department of Chemistry, Faculty of ScienceImam Khomeini International UniversityQazvinIran
  4. 4.Laboratorio de Análisis de Trazas, Departamento de Química Inorgánica, Analítica y Química FísicaUniversidad de Buenos AiresBuenos AiresArgentina

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