Simultaneous determination of oil and water in soybean by LF-NMR relaxometry and chemometrics

Abstract

A fast, non-destructive and eco-friendly method was developed to simultaneously determine the oil and water contents of soybean based on low field nuclear magnetic resonance(LF-NMR) relaxometry combined with chemometrics, such as partial least squares regression(PLSR). The Carr-Purcell-Meiboom-Gill(CPMG) magnetization decay data of ten soybean samples were acquired by LF-NMR and directly applied to the PLSR analysis. Calibration models were established via PLSR with full cross-validation based on the reference values obtained by the Soxhlet extraction method for measuring oil and oven-drying method for measuring water. The results indicate that the calibration models are satisfactory for both oil and water determinations; the root mean squared errors of cross-validation(RMSECV) for oil and water are 0.2285% and 0.0178%, respectively. Furthermore, the oil and water contents in unknown soybean samples were predicted by the PLSR models and the results were compared with the reference values. The relative errors of the predicted oil and water contents were in ranges of 1.25%―4.96% and 0.44%―2.49%, respectively. These results demonstrate that the combination of LF-NMR relaxometry with chemometrics shows great potential for the simultaneous determination of contents of oil and water in soybean with high accuracy.

Keywords

Low field nuclear magnetic resonance(LF-NMR) / Soybean / Oil content / Water content / Partial least squares regression(PLSR)

References

[1] Liu X., Jin J., Wang G., Herbert S. J. Field Crop. Res., 2008, 105(3): 157.

[2] Lee H., Cho B. K., Kim M. S., Lee W. H., Tewari J., Bae H., Sohn S.I., Chi H. Y. Sensors Actuat. B: Chem., 2013, 185: 694.

[3] Qi Z. M., Wu Q., Han X., Sun Y. N., Du X. Y., Liu C. Y., Jiang H. W., Hu G. H., Chen Q. S. Euphytica, 2011, 179: 499.

[4] Lee Y. J., Lee M. G., Yoon W. B. J. Food Eng., 2013, 119(4): 758.

[5] Rudi T., Guthausen G., Burk W., Reh C. T., Isengard H. D. Food Chem., 2008, 106(4): 1375.

[6] Castell-Palou A., Rosselló C., Femenia A., Simal S. Food Bioprocess Tech., 2013, 6(10): 2685.

[7] Pereira F., Colnago L. Food Anal. Method, 2012, 5(6): 1349.

[8] Bertram H. C., Andersen H. J., Karlsson A. H. Meat Sci., 2001, 57(2): 125.

[9] Todt H., Guthausen G., Burk W., Schmalbein D., Kamlowski A. Food Chem., 2006, 96(3): 436.

[10] Aursand I. G., Gallart-Jornet L., Erikson U., Axelson D. E., Rustad T. J. Agric. Food Chem., 2008, 56(15): 6252.

[11] Rubel G. J. Am. Oil Chem. Soc., 1994, 71(10): 1057.

[12] Pedersen H., Munck L., Engelsen S. J. Am. Oil Chem. Soc., 2000, 77(10): 1069.

[13] Srinivasan V. T., Singh B. B., Chidambareswaran P. K., Sundaram V. J. Am. Oil Chem. Soc., 1985, 62(6): 1021.

[14] Hemmateenejad B., Akhond M., Samari F. Spectrochimica Acta A, 2007, 67(3/4): 958.

[15] Geladi P., Kowalsi B. R. Anal. Chim. Acta, 1986, 185(86): 1.

[16] Svante W., Michael S., Lennart E. Chemometr. Intell. Lab., 2001, 58(2): 109.

[17] Li P. H., Deng L. L., Luo J., Li W., Ning J., Ding J. Y., Wu X. P. Chem. J. Chinese Universities, 2016, 37(4): 626.

[18] ISO 659, International Organization for Standardization Geneva, Switzerland, 2009

[19] ISO 665, International Organization for Standardization Geneva, Switzerland, 2000

[20] Martens H., Naes T. Multivariate Calibration, John Wiley and Sons, Chichester, 1991, 116.

[21] Xie L. J., Ying Y. B., Ying T. J., Yu H. Y., Fu X. P. Anal. Chim. Acta, 2007, 584(2): 379.

[22] Eriksson L., Trygg J., Johansson E., Bro R., Wols S. Anal. Chim., Acta, 2000, 420(2): 181.

[23] Qin J., Xie L., Ying Y. Food Chem., 2015, 170: 415.

[24] Fadzlillah N. A., Rohman A., Ismail A. J. Oleo Sci., 2013, 62(8): 555.

[25] Fernandez P. J. A., Jin L., Wahl F., Faber N. M., Massart D. L. Chemometr. Intell. Lab., 2003, 65(2): 281.

[26] Berman P., Leshem A., Etziony O., Levi O., Parmet Y., Saunders M., Wiesman Z. Biotechnol. Biofuels, 2013, 6(4): 1.

[27] Newling B., Ramesh M., Eijck P. V., Hickey H., Balcom B., Macmillan B. Food Res. Int., 2006, 39(5): 612.

[28] Fang G., Goh J. Y., Tay M., Lau H. F., Li S. F. Y. Food Chem., 2013, 138: 1461.

[29] Uysal R. S., Boyaci I. H., Genis H. E. Food Chem., 2013, 141(4): 4397.

[30] Sabet R., Fassihi A. Int. J. Mol. Sci., 2008, 9(12): 2407.

[31] Tripathi M. M., Krishnan S. R., Srinivasan K. K., Yueh F. Y., Singh J. P. Fuel, 2012, 93(1): 684.

[32] Arvoh B. K., Skeie N. O., Halstensen M. Sep. Purif. Technol., 2013, 107: 204.

[33] Zheng X., Jin Y., Chi Y., Ni M. Ener. Fuel, 2013, 27(10): 5787.

[34] Nurrulhidayah A. F., Rohman A., Amin I., Shuhaimi M., Khatib A. Grasas Aceites, 2013, 64(4): 349.