scholarly journals Application of FTIR spectroscopy coupled with chemometrics for authentication ofNigella sativaseed oil

2011 ◽  
Vol 25 (5) ◽  
pp. 243-250 ◽  
Author(s):  
A. F. Nurrulhidayah ◽  
Y. B. Che Man ◽  
H. A. Al-Kahtani ◽  
A. Rohman
Keyword(s):  
Ftir Spectroscopy ◽  
Seed Oil ◽  
Cross Validation ◽  
Multivariate Calibration ◽  
Nigella Sativa ◽  
Grape Seed ◽  
Partial Least Square ◽  
Least Square ◽  
Grape Seed Oil ◽  
The Relationship

The present study is intended to analyze the presence of grape seed oil (GSO) inNigella sativaL. seed oil (NSO) using Fourier transform infrared (FTIR) spectroscopy and gas chromatography (GC). FTIR spectroscopy coupled with multivariate calibration of partial least square can quantify the levels of GSO in NSO at wavelength number of 1114–1074, 1734–1382 and 3005–3030 cm–1. The coefficient of correlation (R2) obtained for the relationship between actual (x-axis) and FTIR predicted (y-axis) values are 0.981. The errors in cross validation and in prediction are 2.34% (v/v) and 2.37% (v/v), respectively.

scholarly journals The employment of Fourier Transform Infrared Spectroscopy (FTIR) and chemometrics for analysis of candlenut oil in binary mixture with grape seed oil

Food Research ◽  
2019 ◽  
Vol 4 (1) ◽  
pp. 184-190
Author(s):  
A.B. Riyanta ◽  
S. Riyanto ◽  
E. Lukitaningsih ◽  
Abdul Rohman
Keyword(s):  
Ftir Spectroscopy ◽  
Seed Oil ◽  
Prediction Models ◽  
Principal Component ◽  
Analytical Techniques ◽  
Grape Seed ◽  
Ftir Spectra ◽  
Partial Least Square ◽  
Least Square ◽  
Grape Seed Oil

Candlenut oil (CDO) is the target of adulteration with other plant oils to get economical profits, therefore, reliable analytical techniques should be developed. Based on the principal component analysis (PCA), grape seed oil (GSO) has the close similarity with CDO. Therefore, this study was intended to make modelling in the authentication analysis of CDO from GSO using Fourier transformed infrared (FTIR) spectroscopy in combination with chemometrics of partial least square calibration (PLSR) and discriminant analysis (DA). FTIR spectra of CDO, GSO and its binary mixtures were subjected to FTIR spectral measurement at wavenumbers of 4000-650 cm-1 , and its absorbances were used for modelling of PLSR and DA. FTIR spectra were also subjected to pre-processing including Savitzy-Golay derivatization. The optimization results showed that FTIR spectra using second derivative at the combined wavenumbers of 3000-2800 and 1600-650 cm-1 offered the optimum models. The coefficient determination (R2 ) for the relationship between actual values and FTIR predicted values was 0.9996 and 0.9975 in calibration and internal validation (prediction) models, respectively. The errors in calibration and validation were relatively low, i.e. 0.84% and 2.19 %vol/vol, respectively. Using the same FTIR spectra, DA could discriminate pure CDO and that mixed with GSO at concentration range of 1-50%vol/vol. The combination of FTIR spectroscopy and chemometrics offered effective tools for the quantification and discrimination of CDO mixed with GSO with the main advantage of its simplicity and rapidity.

scholarly journals THE AUTHENTICATION OF VIRGIN COCONUT OIL FROM GRAPE SEED OIL AND SOYBEAN OIL USING FTIR SPECTROSCOPY AND CHEMOMETRICS

2019 ◽  
pp. 259-263 ◽  
Author(s):  
ABDUL ROHMAN ◽  
YAAKOB BIN CHE MAN ◽  
MD. EAKUB ALI
Keyword(s):  
Soybean Oil ◽  
Ftir Spectroscopy ◽  
Seed Oil ◽  
Multivariate Calibration ◽  
Coconut Oil ◽  
Grape Seed ◽  
Mean Square ◽  
Virgin Coconut Oil ◽  
Grape Seed Oil

Objective: The objective of this study was to develop Fourier transform infrared (FTIR) spectroscopy in combination with chemometrics of multivariate calibration and discriminant analysis (DA) for the authentication of virgin coconut oil (VCO) from grape seed oil (GSO) and soybean oil (SO). Methods: FTIR spectra of VCO, GSO, SO and its binary mixture of VCO-SO, and VCO-GSO were scanned at mid-infrared region (4000-650 cm-1) using attenuated total reflectance technique. The wavenumbers were selected based on its capability to provide the best prediction models for quantification and classification of adulterants in VCO assisted by multivariate calibrations and DA, respectively. Results: The results showed that partial least square (PLS) calibration using absorbance values at combined wavenumbers of 1200-900 and 3027-2985 cm-1 revealed reliable method for quantification of GSO in VCO, as indicated by high value of coefficient of determination (R2) and low value of root mean square of calibration (RMSEC) and root mean square error of prediction (RMSEP). PLS using FTIR spectra at the combined wavenumbers of 1200-1000 and 3025-2995 cm-1 was suitable for quantitative analysis of SO in VCO. DAwas also successfully used for classification of VCO and VCO added with adulterants of GSO and SO. Conclusion: FTIR spectroscopy in combination with chemometrics of multivariate calibration and DA offered effective tools for the authentication of VCO

scholarly journals Application of FTIR Spectroscopy and Chemometrics for Halal Authentication of Beef Meatball Adulterated with Dog Meat

2018 ◽  
Vol 18 (2) ◽  
pp. 376 ◽  
Author(s):  
Wiranti Sri Rahayu ◽  
Abdul Rohman ◽  
Sudibyo Martono ◽  
Sudjadi Sudjadi
Keyword(s):  
Ftir Spectroscopy ◽  
Reliable Method ◽  
Cross Validation ◽  
Partial Least Square ◽  
Least Square ◽  
Coefficient Of Determination ◽  
Calibration Model ◽  
Mean Square ◽  
Folch Method ◽  
Halal Authentication

Beef meatball is one of the favorite meat-based food products among Indonesian community. Currently, beef is very expensive in Indonesian market compared to other common meat types such as chicken and lamb. This situation has intrigued some unethical meatball producers to replace or adulterate beef with lower priced-meat like dog meat. The objective of this study was to evaluate the capability of FTIR spectroscopy combined with chemometrics for identification and quantification of dog meat (DM) in beef meatball (BM). Meatball samples were prepared by adding DM into BM ingredients in the range of 0–100% wt/wt and were subjected to extraction using Folch method. Lipid extracts obtained from the samples were scanned using FTIR spectrophotometer at 4000–650 cm-1. Partial least square (PLS) calibration was used to quantify DM in the meatball. The results showed that combined frequency regions of 1782–1623 cm-1 and 1485-659 cm-1 using detrending treatment gave optimum prediction of DM in BM. Coefficient of determination (R2) for correlation between the actual value of DM and FTIR predicted value was 0.993 in calibration model and 0.995 in validation model. The root mean square error of calibration (RMSEC) and standard error of cross validation (SECV) were 1.63% and 2.68%, respectively. FTIR spectroscopy combined with multivariate analysis can serve as an accurate and reliable method for analysis of DM in meatball.

scholarly journals Attenuated Total Reflectance-FTIR Spectra Combined with Multivariate Calibration and Discrimination Analysis for Analysis of Patchouli Oil Adulteration

2019 ◽  
Vol 20 (1) ◽  
pp. 1
Author(s):  
Zaki Fahmi ◽  
Mudasir Mudasir ◽  
Abdul Rohman
Keyword(s):  
Root Mean Square Error ◽  
Ftir Spectroscopy ◽  
Mean Square Error ◽  
Root Mean Square ◽  
Multivariate Calibration ◽  
Ftir Spectra ◽  
Partial Least Square ◽  
Least Square ◽  
Calibration Model ◽  
Mean Square

The adulteration of high priced oils such as patchouli oil with lower price ones is motivated to gain the economical profits. The aim of this study was to use FTIR spectroscopy combined with chemometrics for the authentication of patchouli oil (PaO) in the mixtures with Castor Oil (CO) and Palm Oil (PO). The FTIR spectra of PaO and various vegetable oils were scanned at mid infrared region (4000–650 cm–1), and were subjected to principal component analysis (PCA). Quantitative analysis of PaO adulterated with CO and PO were carried out with multivariate calibration of Partial Least Square (PLS) regression. Based on PCA, PaO has the close similarity to CO and PO. From the optimization results, FTIR normal spectra in the combined wavenumbers of 1200–1000 and 3100–2900 cm–1 were chosen to quantify PaO in PO with coefficient of determination (R2) value of 0.9856 and root mean square error of calibration (RMSEC) of 4.57% in calibration model. In addition, R2 and root mean square error of prediction (RMSEP) values of 0.9984 and 1.79% were obtained during validation, respectively. The normal spectra in the wavenumbers region of 1200–1000 cm–1 were preferred to quantify PaO in CO with R2 value of 0.9816 and RMSEC of 6.89% in calibration, while in validation model, the R2 value of 0.9974 and RMSEP of 2.57% were obtained. Discriminant analysis was also successfully used for classification of PaO and PaO adulterated with PO and CO without misclassification observed. The combination of FTIR spectroscopy and chemometrics provided an appropriate model for authentication study of PaO adulterated with PO and CO.

scholarly journals The optimization of FTIR spectroscopy combined with partial least square for analysis of animal fats in quartenary mixtures

2011 ◽  
Vol 25 (3-4) ◽  
pp. 169-176 ◽  
Author(s):  
Abdul Rohman ◽  
Yaakob B. Che Man
Keyword(s):  
Ftir Spectroscopy ◽  
Multivariate Calibration ◽  
Infrared Region ◽  
Partial Least Square ◽  
Least Square ◽  
Coefficient Of Determination ◽  
Attenuated Total Reflectance ◽  
Analytical Technique ◽  
Animal Fats ◽  
Handling Technique

Four types of animal fats, namely lard (LD) and body fats of lamb (LBF), cow (Cow-BF) and chicken (Ch-BF), in quaternary mixtures were quantitatively analyzed using FTIR spectroscopy in combination with multivariate calibration of partial least square (PLS). The animal fats, either individual or in quaternary mixtures, were subjected to horizontal total attenuated total reflectance (HATR) as sample handling technique and scanned at mid-infrared region (4000–650 cm–1) with resolution of 4 cm–1and with 32 interferograms. PLS calibration revealed that the first derivative FTIR spectrum was well suited for the correlation between actual value of LD and FTIR calculated value. The other animal fats (LBF, Cow-BF and Ch-BF) were better determined using normal FTIR spectra. The coefficient of determination (R2) obtained using the optimized spectral treatments was higher than 0.99. The root mean standard error of calibration (RMSEC) values obtained were in the range of 0.773–1.55. Analysis of animal fats using FTIR spectroscopy allows rapid, no excessive sample preparation, and can be regarded as “green analytical technique” due to the absence of solvent and chemical reagent used during the analysis.

scholarly journals INFRARED SPECTROSCOPY AND MULTIVARIATE CALIBRATION FOR THE RAPID QUANTIFICATION OF FREE FATTY ACID CONTENT IN PANGASIUS HYPOPTHALMUS OIL

2018 ◽  
Vol 10 (6) ◽  
pp. 199
Author(s):  
Lisa Andina ◽  
Revita Saputri ◽  
Aristha Novyra Putri ◽  
Abdul Rohman
Keyword(s):  
Fatty Acid ◽  
Ftir Spectroscopy ◽  
Multivariate Calibration ◽  
Fatty Acid Content ◽  
Principal Component Regression ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
Coefficient Of Determination ◽  
Stretching Vibration

Objective: The objective of this study was to evaluate the capability of fourier transform infrared (FTIR) spectroscopy in combination with multivariate calibration for prediction of free fatty acids (FFA) in Pangasius hypopthalmus (P. hypopthalmus) oil.Methods: FFA content in P. hypopthalmus oil was determined by attenuated total reflectance-FTIR spectroscopy. P. hypopthalmus oil derived from Pangasius’s meat (MP), and Pangasius’s liver and fat (LFP) were subjected to heat treatments. Determination of FFA content in P. hypopthalmus oil’s was performed by gas chromatography-flame ionization detector.Results: Oleic acid was found to be the main fatty acid component in P. hypopthalmus oil. FTIR spectra of P. hypopthalmus oil has 3 main peaks, C-H bonds of cis-form of fatty acid showed the stretching vibration, symmetric and asymmetric vibrations of the C-H2 and C-H3 aliphatic group and vibrations of the carbonyl (C=O) ester derived from the oil triacylglycerols. Principal component regression (PCR) model showed a better performance than the partial least square (PLS) model. PCR at wavenumbers of 1200-1000 cm-1 with first derivative treatment was chosen for FFA prediction, which resulted in a coefficient of determination (R2) value of 0.9417, root means square error of calibration (RMSEC) of 0.725%, and root mean square error of prediction (RMSEP) value of 2.40%, respectively.Conclusion: FTIR spectroscopy combined with PCR can be used as an alternative method for analysis of fatty acid contents.

scholarly journals SB-ATR FTIR Spectroscopic Monitoring of Free Fatty Acids in Commercially AvailableNigella sativa(Kalonji) Oil

2014 ◽  
Vol 2014 ◽  
pp. 1-5 ◽  
Author(s):  
S. A. Mahesar ◽  
Aftab A. Kandhro ◽  
Abdul Rauf Khaskheli ◽  
M. Y. Talpur ◽  
S. T. H. Sherazi
Keyword(s):  
Fatty Acids ◽  
Free Fatty Acids ◽  
Ftir Spectroscopy ◽  
Nigella Sativa ◽  
Partial Least Square ◽  
Least Square ◽  
Attenuated Total Reflectance ◽  
Calibration Model ◽  
Absorption Region ◽  
Spectroscopic Monitoring

Free fatty acids (FFA) inNigella sativa(N. sativa) commercial and seed oil were determined using single-bounce attenuated total reflectance (SB-ATR) Fourier transform infrared (FTIR) spectroscopy. Gravimetrical mixing was done by adding 0.1–40% oleic acids in neutralizedN. sativaoil containing 0.1% FFA. FTIR spectroscopy technique and partial least square (PLS) calibration were used to detect the absorption region of carbonyl (C=O) which is in the range of 1690–1727 cm−1. The results of PLS calibration model and root mean square error of calibration (RMSEC) are 0.999 and 0.449, respectively. Comparing the FFA obtained inN. sativaoil by using FTIR with the FFA obtained using AOCS titrimetric method shows a positive correlation and confirms that the described method is a useful procedure.

scholarly journals The employment of FTIR spectroscopy and chemometrics for authentication of essential oil of Curcuma mangga from candle nut oil

Food Research ◽  
2019 ◽  
Vol 4 (2) ◽  
pp. 515-521 ◽  
Author(s):  
M. Khudzaifi ◽  
S.S. Retno ◽  
Abdul Rohman
Keyword(s):  
Discriminant Analysis ◽  
Essential Oil ◽  
Ftir Spectroscopy ◽  
Prediction Models ◽  
Multivariate Calibration ◽  
Ftir Spectra ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
High Price

The adulteration of high price oil such as essential oil of Curcuma mangga Val. (EOCM) with lower price oil is common to get economical profit. This study was to investigate the authentication of EOCM toward candlenut oil (CNO) using FTIR spectroscopy combined with multivariate calibration and discriminant analysis. The selection of CNO as adulterant oil model was due to its close similarity to EOCM in terms of FTIR spectra. Besides, EOCM has similar color with CNO, therefore, CNO is potential adulterant toward EOCM. Two multivariate calibrations of partial least square regression (PLSR) and principle component regression (PCR) along with FTIR spectra (normal versus derivatization) were optimized to get prediction models for quantification. The results showed that the combination of PLSR and normal FTIR spectra at optimized wavenumbers of 1614-1068 cm-1 was capable of predicting the levels of EOCM adulterated with CNO. Discriminant analysis was also success to differentiate the classification of EOCM and EOCM adulterated with CNO with accuracy levels of 100%. Using FTIR spectroscopy for oil authentication is rapid, simple without any chemicals, solvents, and sample preparation so that this technique is considered as a green analytical method.

scholarly journals AUTHENTICATION OF PATIN (PANGASIUS MICRONEMUS) FISH OIL ADULTERATED WITH PALM OIL USING FTIR SPECTROSCOPY COMBINED WITH CHEMOMETRICS

2019 ◽  
pp. 195-199
Author(s):  
Anggita Rosiana Putri ◽  
Abdul Rohman ◽  
SUGENG RIYANTO
Keyword(s):  
Fish Oil ◽  
Ftir Spectroscopy ◽  
Palm Oil ◽  
Multivariate Calibration ◽  
Principal Component Regression ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
Reliable Technique ◽  
Accuracy Level

Objective: The goal of this research was to perform authentication of patin (Pangasius micronemus) fish oil (PFO) adulterated with palm oil (PO) using FTIR spectroscopy combined with chemometrics method. Methods: Patin fish oil (PFO) and PFO adulterated with palm oil (PO) were measured using FTIR instrument at wavenumbers region of 4000–650 cm-1. The chemometrics methods, namely multivariate calibration of partial least square (PLS) and principal component regression (PCR) were used to make calibration and validation models during quantification. Discriminant analysis (DA) was used to make grouping pure PFO and PFO adulterated with PO. Results: The results showed that PLS and PCR could be used to quantify PO as adulterant in PFO, either in calibration or validation models. FTIR spectroscopy combined with multivariate calibration offered accurate and precise method for quantitative analysis with R2 value of >0.999 and low RMSEC and RMSEP. DA was capable of grouping PFO and PFO adulterated with PO with an accuracy level of 100%. Conclusion: FTIR spectroscopy combined with chemometrics could be reliable technique for quantification and discrimination of PFO and PFO adulterated with PO.

A Partial Least Square Structural Equation Modeling: Prestige Perception in Tourism

2020 ◽  
Author(s):  
Murat Kayak
Keyword(s):  
Structural Equation Modeling ◽  
Structural Equation ◽  
Partial Least Square ◽  
Least Square ◽  
Primary Data ◽  
Equation Modeling ◽  
Destination Brand ◽  
The Relationship ◽  
Intention To Revisit ◽  
Brand Prestige

This study aims to investigate destination brand prestige, and to explore the mediating effects of destination brand worldness between destination brand prestige and intention to revisit. Research is designed to collect primary data from the Taiwanese tourists. Partial least squares structural equation modeling is used to test the effects. The research model is appropriately implemented in Smart PLS 3 and a full mediation has existed through the empirical findings. The study shows how destination brand worldness mediates the relationship between destination brand prestige and intention to revisit.

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