The famous Turkish rose essential oil: Characterization and authenticity monitoring by FTIR, Raman and GC–MS techniques combined with chemometrics

Çebi, Nur; Arıcı, Muhammet; Sağdıç, Osman

doi:10.1016/j.foodchem.2021.129495

Cited by 69 publications

(48 citation statements)

References 29 publications

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“…The ATR-FTIR spectra of Rosa damascena essential oil and the adulterants (GEO, PEO and PEOH) are presented in Figure 1A,B, respectively. The FTIR spectrum of the Rosa damascena essential oil was quite similar to the one obtained in previous study [1]. However slight differences were observed in the wavelengths of the bands due to the brand differences.…”

Section: Atr-ftir Spectra Of Rosa Damascena Essential Oil and Adulterantssupporting

confidence: 82%

“…Rosa damascena (Damask rose) is one of the most important species of the genus Rosa, which consists of at least 200 species. It is known as a unique type of oil-bearing rose with its intense and pungent scent [1]. Rosa damascena is mainly cultivated in Turkey and Bulgaria; rose oil, concrete and absolute are the major products obtained from Rosa damascena [2].…”

Section: Introductionmentioning

confidence: 99%

“…Rosa damascena is mainly cultivated in Turkey and Bulgaria; rose oil, concrete and absolute are the major products obtained from Rosa damascena [2]. Turkey is the main rose oil producer in the world and provides approximately 50% of the supply [1].…”

Section: Introductionmentioning

confidence: 99%

“…Rosa damascena essential oil is a type of rose oil that has the highest economic value for the perfume, cosmetics, pharmaceutical and food industries with its sharp and intense scent making it distinctive among other scented rose types [1]. It is widely included in cosmetic products such as creams, shampoos, soaps, lotions and more, and is also used in foodstuffs such as puddings, jellies, candies, delights and chocolate [6].…”

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Quantification of the Geranium Essential Oil, Palmarosa Essential Oil and Phenylethyl Alcohol in Rosa damascena Essential Oil Using ATR-FTIR Spectroscopy Combined with Chemometrics

Çebi

2021

Foods

Self Cite

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Rosa damascena essential oil is an essential oil that has the greatest industrial importance due to its unique quality properties. The study used ATR-FTIR (attenuated total reflectance-Fourier transform infrared) spectroscopy coupled with chemometrics of PLSR (partial least squares regression) and PCR (principal component regression) for quantification of probable adulterants of geranium essential oil (GEO), palmarosa essential oil (PEO) and phenyl ethyl alcohol (PEOH). Hierarchical cluster analysis was performed to observe the classification pattern of Rosa damascena essential oil, spiked samples and adulterants. Rosa damascena essential oil was spiked with each adulterant at concentrations of 0–100% (v/v). Excellent R2 (regression coefficient) values (≥0.96) were obtained in all PLSR and PCR cross-validation models. The SECV (standard error of cross-validation) values ranged between 0.43 and 4.15. The lowest SECV and bias values were observed in the PLSR and PCR models, which were built by using the raw FTIR spectra of all samples. Hierarchical cluster analysis through Ward’s algorithm and Euclidian distance had high potential to observe the classification pattern of all adulterated and authentic samples. In conclusion, the combination of ATR-FTIR spectroscopy with multivariate analysis can be used for rapid, cost-effective, easy, reliable and high-throughput detection of GEO, PEO and PEOH in Rosa damascena essential oil.

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Section: Atr-ftir Spectra Of Rosa Damascena Essential Oil and Adulterantssupporting

confidence: 82%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Quantification of the Geranium Essential Oil, Palmarosa Essential Oil and Phenylethyl Alcohol in Rosa damascena Essential Oil Using ATR-FTIR Spectroscopy Combined with Chemometrics

Çebi

2021

Foods

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“…However, the dimensionality reduction and visualization methods are not provided in KPIC2. Principal component analysis (PCA) is the most widely used dimensionality reduction method through the linear combination of the original variables [ 30 , 31 , 32 ]. However, PCA tries to preserve the global structure of the data at the risk of losing the local structure, and it may fail on the nonlinear and complex dataset.…”

Section: Introductionmentioning

confidence: 99%

Pure Ion Chromatograms Combined with Advanced Machine Learning Methods Improve Accuracy of Discriminant Models in LC–MS-Based Untargeted Metabolomics

Tian

Lin

Wang³

et al. 2021

Molecules

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Untargeted metabolomics based on liquid chromatography coupled with mass spectrometry (LC–MS) can detect thousands of features in samples and produce highly complex datasets. The accurate extraction of meaningful features and the building of discriminant models are two crucial steps in the data analysis pipeline of untargeted metabolomics. In this study, pure ion chromatograms were extracted from a liquor dataset and left-sided colon cancer (LCC) dataset by K-means-clustering-based Pure Ion Chromatogram extraction method version 2.0 (KPIC2). Then, the nonlinear low-dimensional embedding by uniform manifold approximation and projection (UMAP) showed the separation of samples from different groups in reduced dimensions. The discriminant models were established by extreme gradient boosting (XGBoost) based on the features extracted by KPIC2. Results showed that features extracted by KPIC2 achieved 100% classification accuracy on the test sets of the liquor dataset and the LCC dataset, which demonstrated the rationality of the XGBoost model based on KPIC2 compared with the results of XCMS (92% and 96% for liquor and LCC datasets respectively). Finally, XGBoost can achieve better performance than the linear method and traditional nonlinear modeling methods on these datasets. UMAP and XGBoost are integrated into KPIC2 package to extend its performance in complex situations, which are not only able to effectively process nonlinear dataset but also can greatly improve the accuracy of data analysis in non-target metabolomics.

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Contribution of Constituents in Rosemary‐Magnolia Compound Essential Oil to Antibacterial, Antioxidant and Cytotoxicity Bioactivities Revealed by Grey Correlation Analysis

Song

Zhang

Jin³

et al. 2023

Chemistry & Biodiversity

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The compound of essential oils (EOs) is a key approach to achieving the superimposed efficacy of plant EOs. In this article, grey correlation analysis was applied for the first time to explore the compound ratios and contribution between constituents and the bioactivity of the compound EOs. There were 12 active constituents shared in rosemary and magnolia EOs prepared by negative pressure distillation. With different proportions, these two EOs were blended and analyzed for the antioxidant, bacteriostatic and antitumor effects. According to the results of the inhibition circle, minimum bactericidal and inhibitory concentration, the most obvious inhibition effect of the compound EOs on different strains of bacteria was shown in Staphylococcus aureus. The results of antioxidant test showed that single EO from rosemary had the best antioxidant effect, and its EO content was directly proportional to the antioxidant effect. The cytotoxicity results showed that, there was a significant difference in the lethality of the compound EOs between tumor cells Mcf-7 (human breast cancer cells) and SGC-7901 cells (human gastric cancer cells). Furthermore, single EO from magnolia had an obvious inhibitory effect on the growth of Mcf-7 cells and SGC-7901 cells, and the cell lethality rate was as high as 95.19 % and 97.96 %, respectively. As the results of grey correlation analysis, the constituents with the maximal correlation of inhibitory effects on bacteria were as follows: S. aureus -Terpinolene (0.893), E. coli -Eucalyptol (0.901), B. subtilis -α-Pinene (0.823), B. cereus -Terpinolene (0.913) and Salmonella -α-Phellandrene (0.855). For the ABTS and DPPH scavenging effects, the constituents with the maximal correlation were (À )-Camphor (0.860) and β-Pinene (0.780), respectively. In terms of the effects of the active constituents of compound EOs on the inhibitory activities of tumor cells Mcf-7 and SGC-7901, the three active constituents of γ-Terpinene, (R)-(+)-β-Citronellol and (À )-Camphor were in the top three, and their correlation were Mcf-7 (0.833, 0.820, 0.795) and SGC-7901 (0.797, 0.766, 0.740). Our study determined the contribution degree of active constituents in the antibacterial, antioxidant, and antitumor bioactivities of rosemarymagnolia compound EOs, and also provided new insights for the research of EOs combination formulations.

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The famous Turkish rose essential oil: Characterization and authenticity monitoring by FTIR, Raman and GC–MS techniques combined with chemometrics

Cited by 69 publications

References 29 publications

Quantification of the Geranium Essential Oil, Palmarosa Essential Oil and Phenylethyl Alcohol in Rosa damascena Essential Oil Using ATR-FTIR Spectroscopy Combined with Chemometrics

Quantification of the Geranium Essential Oil, Palmarosa Essential Oil and Phenylethyl Alcohol in Rosa damascena Essential Oil Using ATR-FTIR Spectroscopy Combined with Chemometrics

Pure Ion Chromatograms Combined with Advanced Machine Learning Methods Improve Accuracy of Discriminant Models in LC–MS-Based Untargeted Metabolomics

Contribution of Constituents in Rosemary‐Magnolia Compound Essential Oil to Antibacterial, Antioxidant and Cytotoxicity Bioactivities Revealed by Grey Correlation Analysis

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