Determination of gossypol content in cottonseeds by near infrared spectroscopy based on Monte Carlo uninformative variable elimination and nonlinear calibration methods

Cheng Li; Tianlun Zhao; Cong Li; Lei Mei; En Yu; Yating Dong; Jinhong Chen; Shuijin Zhu

doi:10.1016/j.foodchem.2016.11.064

Determination of gossypol content in cottonseeds by near infrared spectroscopy based on Monte Carlo uninformative variable elimination and nonlinear calibration methods

Food Chem. 2017 Apr 15:221:990-996. doi: 10.1016/j.foodchem.2016.11.064. Epub 2016 Nov 15.

Authors

Cheng Li¹, Tianlun Zhao², Cong Li³, Lei Mei⁴, En Yu⁵, Yating Dong⁶, Jinhong Chen⁷, Shuijin Zhu⁸

Affiliations

¹ Department of Agronomy, Zhejiang Key Laboratory of Crop Germplasm, Zhejiang University, Hangzhou 310058, China. Electronic address: [email protected].
² Department of Agronomy, Zhejiang Key Laboratory of Crop Germplasm, Zhejiang University, Hangzhou 310058, China. Electronic address: [email protected].
³ Department of Agronomy, Zhejiang Key Laboratory of Crop Germplasm, Zhejiang University, Hangzhou 310058, China. Electronic address: [email protected].
⁴ Department of Agronomy, Zhejiang Key Laboratory of Crop Germplasm, Zhejiang University, Hangzhou 310058, China. Electronic address: [email protected].
⁵ Department of Agronomy, Zhejiang Key Laboratory of Crop Germplasm, Zhejiang University, Hangzhou 310058, China. Electronic address: [email protected].
⁶ Department of Agronomy, Zhejiang Key Laboratory of Crop Germplasm, Zhejiang University, Hangzhou 310058, China. Electronic address: [email protected].
⁷ Department of Agronomy, Zhejiang Key Laboratory of Crop Germplasm, Zhejiang University, Hangzhou 310058, China. Electronic address: [email protected].
⁸ Department of Agronomy, Zhejiang Key Laboratory of Crop Germplasm, Zhejiang University, Hangzhou 310058, China. Electronic address: [email protected].

PMID: 27979304
DOI: 10.1016/j.foodchem.2016.11.064

Abstract

Near infrared (NIR) spectroscopy combined with Monte Carlo uninformative variable elimination (MC-UVE) and nonlinear calibration methods employed to determine gossypol content in cottonseeds were investigated. The reference method was performed by high performance liquid chromatography coupled to an ultraviolet detector (HPLC-UV). MC-UVE was employed to extract the effective information from the full NIR spectra. Nonlinear calibration methods were applied to establish the models compared with the linear method. The optimal model for gossypol content was obtained by MC-UVE-WLS-SVM, with root mean squares error of prediction (RMSEP) of 0.0422, coefficient of determination (R²) of 0.9331, and residual predictive deviation (RPD) of 3.8374, respectively, which was accurate and robust enough to substitute for traditional gossypol measurements. The nonlinear methods performed more reliable than linear method during the development of calibration models. Furthermore, MC-UVE could provide better and simpler calibration models than full spectra.

Keywords: Cottonseed; Gossypol content; Monte Carlo uninformative variable elimination (MC-UVE); Near infrared (NIR); Nonlinear calibration methods.

MeSH terms

Calibration
Gossypium / chemistry*
Gossypol / analysis*
Seeds / chemistry*
Spectroscopy, Near-Infrared / methods

Substances

Gossypol