MISIR YAĞINDA YAĞ ASİTLERİNİN UV-VIS SPEKTROSKOPİSİ VE KEMOMETRİK YÖNTEMLER YARDIMIYLA TESPİT EDİLMESİ
Abstract
Bu çalışmada ham mısır yağında bazı yağ
asitlerinin UV-Vis spektroskopi yöntemiyle tespitinde kemometrik tekniklerin
etkisinin araştırılması amaçlanmıştır. Araştırmada 50 farklı mısır genotipine
ait yağ numunesinde oleik asit, linoleik asit, toplam tekli doymamış yağ
asitleri ile toplam çoklu doymamış yağ asitleri belirlenmiştir. Aynı yağ
örneklerinin absorbans değerleri (190-320 nm arası) UV-Vis spektrofotometre
kullanılarak kayıt edilmiştir. Ham spektrumlar (200-300 nm arası) ve
düzleştirme yapılmış spektral veri kullanılarak kısmi en küçük kareler
regresyonu (PLS), ve çoklu doğrusal regresyon (MLR) metotlarına göre tahmin
modelleri oluşturulmuştur. Bu modellerde PLS ile tam spektrum (200-300 nm
arası), Ardışık Projeksiyon Algoritması-Çoklu Doğrusal Regresyon (SPA-MLR) ile
seçilmiş dalga boyları ve Rekabetçi Uyarlamalı Yeniden Ağırlıklandırılmış
Örnekleme-Kısmi En Küçük Kareler (CARS-PLS) ile seçilmiş dalga boyu aralıkları
kullanılmıştır. Modelleme çalışmaları Matlab 7.0 programında libPLS ve SPA
paketleri yardımıyla gerçekleştirilmiş ve her bir özellik için altışar ayrı
model geliştirilmiştir. Araştırma sonuçları; oluşturulan modellerde dalga boyu
seçimi ve spektral verinin düzleştirilmesi ile tahmin gücünün önemli şekilde
arttığını göstermiştir. Sonuç olarak UV-Vis spektroskopisi kullanarak mısır
yağında yağ asitleri içeriğinin etkili dalga boyu seçim yöntemleri kullanılarak
güvenilir şekilde tespit edilebileceği anlaşılmıştır.
Keywords
References
- Araujo, M.C.U., Saldanha, T.C.B., Galvao, R.K.H., Yoneyama, T., Chame, H.C. & Visani, V. (2001). The successive projections algorithm for variable selection in spectroscopic multicomponent analysis. Chemometrics & Intelligent Laboratory Systems, 57, 65–73.
- Dumancas, G.G., Muriuki, M., Purdie, N. & Reilly, L. (2011). Simultaneous spectrophotometric and chemometric determination of oleic, linoleic, and linolenic fatty acids in vegetable oils, Proceedings of the World Congress on Engineering 2011 Vol III WCE 2011, July 6 - 8, 2011, London, U.K.
- Dunlap, F.G., White, P.J., Pollak, L.M. & Brummd, T.J. (1995). Fatty acid composition of oil from adapted, elite corn breeding materials. AOCS 72, 981-987.
- Egesel, C.O., Kahrıman, F. & Gül, M.K. (2011). Discrimination of maize inbreds for kernel quality traits and fatty acid composition by a multivariate technique. Acta Scientiarum Agronomy Maringá, 33, 613-620.
- Egesel C.Ö. & Kahrıman F. (2012). Determination of quality parameters in maize by NIR reflectance spectroscopy. Journal of Agricultural Sciences, 18, 43-53.
- Fernandes, D.D.S., Gomes, A.A., da Costa, G.B., da Silva, G.W.B. & Véras, G. (2011). Determination of biodiesel content in biodiesel/diesel blends using NIR and visible spectroscopy with variable selection. Talanta, 87, 30–34.
- Fülöp, A. & Hancsok, J. (2009). Comparison of calibration models based on near infrared spectroscopy data for the determination of plant oil properties. Chemical Engineering Transactions, 17, 445-450.
- Galvão, R.K.H., Araújo, M.C.U., Silva, E.C., José, G.E., Soares, S.F.C. & Paiva, H.M. (2007). On the use of Cross-validation for the selection of spectral variables using the successive projections algorithm, Journal of the Brazilian Chemical Society, 18, 1580–1584.
- Kong, W., Zhao, Y., Liu, F., He, Y., Tian, T. & Zhou, W. (2012). Fast analysis of superoxide dismutase (SOD) activity in barley using visible and near infrared spectroscopy, Sensors, 12, 10871-10880.
- Kongbonga, Y.G.M., Ghalila, Onana, M.B., Majdi, Y., Lakhdar, Z.B., Mezlini, H. & Sevestre-Ghalila, S. (2011). Characterization of vegetable oils by fluorescence spectroscopy, Food and Nutrition Sciences, 2011, 692-699.
- Li H.-D., Xu Q.-S. & Liang Y.-Z. (2014). libPLS: An integrated library for partial least squares regression and discriminant analysis. Peer J PrePrints 2:e190v1, source codes available at www.libpls.net.
- Meghea, A., Borlescu, C., Badea, N. & Demetrescu, I., (2006). Skin protective materials for human operators working in industrial environment, World Congress on Medical Physics and Biomedical Engineering 2006 Volume 14 of the series IFMBE Proceedings pp 3322-3325.
- Öz, A. & Kapar, H. (2007). Mısırın yağ içeriği ve yağ sanayi açısından önemi. 1.Ulusal Yağlı Tohumlu Bitkiler ve Biyodizel Sempozyumu, 28-31 Mayıs 2007, Samsun, 388-391.
- Pajic, Z. (2007). Breeding of maize types with specific traits at the Maize Research Institute, Zemun polje. Genetika, 39, 169-180.
- Upstone S., (2010). Measurement of quality of crude palm oils used in margarine production by UV/Visible Spectroscopy, Perkin Elmer.
- Wang, H., Peng, J., Xie, C., Bao, Y. & He, Y. (2015). Fruit quality evaluation using spectroscopy technology:A Review, Sensors, 15: 11889-11927.
- Wójcicki, K., Khmelinskii, I., Sikorski, M., Caponio, F. & Paradiso, V. M. (2015). Spectroscopic techniques and chemometrics in analysis of blends of extra virgin with refined and mild deodorized olive oils. European Journal of Lipid Science and Technology, 117, 92-102.
Abstract
In
this study, it was aimed to investigate the effect of chemometric techniques on
the detection of some fatty acids in crude maize oil by UV-Vis spectroscopy. In
the study, oleic acid, linoleic acid, total polyunsaturated fatty acids and
total polyunsaturated fatty acids were determined on the oil samples of 50
different maize genotypes. The absorbance values (190-320 nm) of the same oil
samples were recorded using a UV-Vis spectrophotometer. Prediction models were
constructed according to Partial Least Squares Regression (PLS), and Multiple
Linear Regression (MLR) methods using raw and smoothed spectral data. In these
models, full spectrum (between 200-300 nm), selected wavelengths with SPA-MLR
and selected wavelengths with CARS-PLS were used. Modeling studies were
performed using libPLS and SPA packages in Matlab 7.0 and six separate models
were developed for each dependent variable. Results showed that the estimation
power increases significantly with the selection of the effective wavelengths
and smoothing the spectral data in the generated models. As a result, it has
been understood that the content of fatty acids in maize oil can be reliably
detected by using UV-Vis spectroscopy using effective wavelength selection
methods.
References
- Araujo, M.C.U., Saldanha, T.C.B., Galvao, R.K.H., Yoneyama, T., Chame, H.C. & Visani, V. (2001). The successive projections algorithm for variable selection in spectroscopic multicomponent analysis. Chemometrics & Intelligent Laboratory Systems, 57, 65–73.
- Dumancas, G.G., Muriuki, M., Purdie, N. & Reilly, L. (2011). Simultaneous spectrophotometric and chemometric determination of oleic, linoleic, and linolenic fatty acids in vegetable oils, Proceedings of the World Congress on Engineering 2011 Vol III WCE 2011, July 6 - 8, 2011, London, U.K.
- Dunlap, F.G., White, P.J., Pollak, L.M. & Brummd, T.J. (1995). Fatty acid composition of oil from adapted, elite corn breeding materials. AOCS 72, 981-987.
- Egesel, C.O., Kahrıman, F. & Gül, M.K. (2011). Discrimination of maize inbreds for kernel quality traits and fatty acid composition by a multivariate technique. Acta Scientiarum Agronomy Maringá, 33, 613-620.
- Egesel C.Ö. & Kahrıman F. (2012). Determination of quality parameters in maize by NIR reflectance spectroscopy. Journal of Agricultural Sciences, 18, 43-53.
- Fernandes, D.D.S., Gomes, A.A., da Costa, G.B., da Silva, G.W.B. & Véras, G. (2011). Determination of biodiesel content in biodiesel/diesel blends using NIR and visible spectroscopy with variable selection. Talanta, 87, 30–34.
- Fülöp, A. & Hancsok, J. (2009). Comparison of calibration models based on near infrared spectroscopy data for the determination of plant oil properties. Chemical Engineering Transactions, 17, 445-450.
- Galvão, R.K.H., Araújo, M.C.U., Silva, E.C., José, G.E., Soares, S.F.C. & Paiva, H.M. (2007). On the use of Cross-validation for the selection of spectral variables using the successive projections algorithm, Journal of the Brazilian Chemical Society, 18, 1580–1584.
- Kong, W., Zhao, Y., Liu, F., He, Y., Tian, T. & Zhou, W. (2012). Fast analysis of superoxide dismutase (SOD) activity in barley using visible and near infrared spectroscopy, Sensors, 12, 10871-10880.
- Kongbonga, Y.G.M., Ghalila, Onana, M.B., Majdi, Y., Lakhdar, Z.B., Mezlini, H. & Sevestre-Ghalila, S. (2011). Characterization of vegetable oils by fluorescence spectroscopy, Food and Nutrition Sciences, 2011, 692-699.
- Li H.-D., Xu Q.-S. & Liang Y.-Z. (2014). libPLS: An integrated library for partial least squares regression and discriminant analysis. Peer J PrePrints 2:e190v1, source codes available at www.libpls.net.
- Meghea, A., Borlescu, C., Badea, N. & Demetrescu, I., (2006). Skin protective materials for human operators working in industrial environment, World Congress on Medical Physics and Biomedical Engineering 2006 Volume 14 of the series IFMBE Proceedings pp 3322-3325.
- Öz, A. & Kapar, H. (2007). Mısırın yağ içeriği ve yağ sanayi açısından önemi. 1.Ulusal Yağlı Tohumlu Bitkiler ve Biyodizel Sempozyumu, 28-31 Mayıs 2007, Samsun, 388-391.
- Pajic, Z. (2007). Breeding of maize types with specific traits at the Maize Research Institute, Zemun polje. Genetika, 39, 169-180.
- Upstone S., (2010). Measurement of quality of crude palm oils used in margarine production by UV/Visible Spectroscopy, Perkin Elmer.
- Wang, H., Peng, J., Xie, C., Bao, Y. & He, Y. (2015). Fruit quality evaluation using spectroscopy technology:A Review, Sensors, 15: 11889-11927.
- Wójcicki, K., Khmelinskii, I., Sikorski, M., Caponio, F. & Paradiso, V. M. (2015). Spectroscopic techniques and chemometrics in analysis of blends of extra virgin with refined and mild deodorized olive oils. European Journal of Lipid Science and Technology, 117, 92-102.
Details
| Subjects | Food Engineering |
|---|---|
| Journal Section | Articles |
| Authors | |
| Publication Date | March 25, 2017 |
| Submission Date | December 26, 2016 |
| Published in Issue | Year 2017 |
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