title: Chemometric optimization of the robustness of the near infrared spectroscopic method in wheat quality control.
abstract: A chemometric approach was applied for the optimization of the robustness of the NIRS method for wheat quality control. Due to the high number of experimental (n=6) and response variables to be studied (n=7) the optimization experiment was divided into two stages: screening stage in order to evaluate which of the considered variables were significant, and optimization stage to optimize the identified factors in the previously selected experimental domain. The significant variables were identified by using fractional factorial experimental design, whilst Box-Wilson rotatable central composite design (CCRD) was run to obtain the optimal values for the significant variables. The measured responses included: moisture, protein and wet gluten content, Zeleny sedimentation value and deformation energy. In order to achieve the minimal variation in responses, the optimal factor settings were found by minimizing the propagation of error (POE). The simultaneous optimization of factors was conducted by desirability function. The highest desirability of 87.63% was accomplished by setting up experimental conditions as follows: 19.9°C for sample temperature, 19.3°C for ambient temperature and 240V for instrument voltage.
authors.affiliation: Institute of Food Technology, University of Novi Sad, Bulevar cara Lazara 1, 21000 Novi Sad, Serbia. Electronic address: milica.pojic@fins.uns.ac.rs.
authors.forename: Milica
authors.initials: M
authors.lastname: Pojić
authors.affiliation: Faculty of Technology, University of Novi Sad, Bulevar cara Lazara 1, 21000 Novi Sad, Serbia.
authors.forename: Dušan
authors.initials: D
authors.lastname: Rakić
authors.affiliation: BASF Catalysts LLC, Technical Center, 108 Briarcliff Rd. Gordon, GA 31031, USA.
authors.forename: Zivorad
authors.initials: Z
authors.lastname: Lazić
mesh_terms: D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D005504:Food Analysis / Q000379:methods*; D011786:Quality Control; D019265:Spectroscopy, Near-Infrared / Q000379:methods*; D013696:Temperature; D014908:Triticum / Q000737:chemistry*
keywords: Fractional factorial design; Near infrared spectroscopy; Optimization; Propagation of error; Screening design; Wheat quality control