Scopus
YÖKSİS Eşleşti
Rapid determination of adulteration of clove essential oil with benzyl alcohol and ethyl acetate: Towards quality control analysis by FTIR with chemometrics
Vibrational Spectroscopy · Ocak 2022
YÖKSİS Kayıtları
Rapid determination of adulteration of clove essential oil with benzyl alcohol and ethyl acetate: Towards quality control analysis by FTIR with chemometrics
Elsevier BV · 2022 SCI-Expanded
PROFESÖR HÜSEYİN KARA →
Rapid determination of adulteration of clove essential oil with benzyl alcohol and ethyl acetate: Towards quality control analysis by FTIR with chemometrics
VIBRATIONAL SPECTROSCOPY · 2022 SCI
ARAŞTIRMA GÖREVLİSİ MUHAMMED RAŞİT BAKIR →
Rapid determination of adulteration of clove essential oil with benzyl alcohol and ethyl acetate: Towards quality control analysis by FTIR with chemometrics
Vibrational Spectroscopy · 2022 SCI-Expanded
DOÇENT İSMAİL TARHAN →
Rapid determination of adulteration of clove essential oil with benzyl alcohol and ethyl acetate: Towards quality control analysis by FTIR with chemometrics
VIBRATIONAL SPECTROSCOPY · 2022 SCI
ARAŞTIRMA GÖREVLİSİ MUHAMMED RAŞİT BAKIR →
Makale Bilgileri
DergiVibrational Spectroscopy
Yayın TarihiOcak 2022
Cilt / Sayfa118
Scopus ID2-s2.0-85122640747
Özet
In this study, Fourier transform infrared (FTIR) spectroscopy in tandem with chemometrics was used for the discrimination and quantification of the adulterants, such as benzyl alcohol (B) and ethyl acetate (E) in clove essential oil (CO). Different multivariate models with various spectral derivatization methods were developed and their analysis abilities the adulterants were compared using statistical quality parameters. To discriminate the adulterations thanks to the FTIR data, 130 chemometric models were built by principal component analysis (PCA) algorithm. The statistical performances of the PCA models developed were evaluated by the number of samples outside of explained variance (95 %) and eigen value. To quantify the adulterant concentrations in CO samples, 117 partial least squares (PLS) regression models employing the FTIR data were developed. To find out the best PLS model, the root mean square error of prediction (RMSEP), and root mean square error of cross-validation (RMSECV) were mainly used. Root mean square error of calibration (RMSEC) and R-square were also evaluated. The best discrimination results were achieved using 1st derivative spectra in the region 3500-3100 cm−1 (SRB1) and 2nd derivative spectra in the region 1077-1008 cm-1 (SRE3) for the adulterants of B and E, respectively. The best PLS calibration results were obtained from the combinations of the normal spectra in the regions 3500-3100 cm−1, 1027-993 cm−1, and 756-569 cm−1 (SRBC) and SRE3 for the quantification of B and E, respectively. The results of the study indicated that FTIR with chemometrics could be used for simultaneously discrimination and quantification of the adulterants of B and E in COs without using any toxic chemicals or pretreatments.
Yazarlar (5)
1
İsmail Tarhan
ORCID: 0000-0003-3353-8635
2
M. Raşit Bakır
3
Oktay Kalkan
ORCID: 0000-0001-5974-8345
4
Mustafa Yöntem
ORCID: 0000-0001-9350-8708
5
Huseyin Kara
Anahtar Kelimeler
Adulteration
Benzyl alcohol
Chemometrics
Clove essential oil
Ethyl acetate
FTIR spectroscopy
Kurumlar
Necmettin Erbakan Üniversitesi
Meram Turkey
Selçuk Üniversitesi
Selçuklu Turkey
Metrikler
19
Atıf
5
Yazar
6
Anahtar Kelime