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

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

Determination of the Antifungal, Antibacterial Activity and Volatile Compound Composition of <i>Citrus bergamia</i> Peel Essential Oil

Safe and health-beneficial citrus oils can be employed as natural preservatives, flavorings, antioxidants, and as antibacterial and antifungal agents in a wide variety of food products. In this research, using GC–MS methodology, the major volatile composition of Citrus bergamia EO, obtained by hydro-distillation, was determined to consist of limonen (17.06%), linalool (46.34%) and linalyl acetate (17.69%). The molecular fingerprint was obtained using FTIR spectroscopy. The antibacterial effect of C. bergamia EO at different concentrations (0.5, 1, 2.5 and 5 µg/mL) was tested against different pathogen species (Salmonella typhimurium, Bacillus cereus, Staphylococcus aureus, Escherichia coli, Listeria monocytogenes), based on disc diffusion assay. The in vitro antifungal activity of C. bergamia EO oil against Aspergillus niger and Penicillium expansum was evaluated using agar disc diffusion assay. Clear inhibition zones were formed by C. bergamia EO against selected species of pathogens. Almost all of the concentrations were revealed to have antifungal activity against selected fungal pathogens. The highest inhibition rate of A. niger at 6 incubation days was 67.25 ± 0.35 mm with a 20 µL dose, while the growth in the control was 90.00 ± 0.00 mm. In addition, the highest inhibition rate of P. expansum was 26.16 ± 0.76 mm with a 20 µL dose, while the growth was 45.50 ± 2.12 mm in the control fungus. A higher antifungal effect of C. bergamia EO against P. expansum was obtained. It was observed that the growth of fungi was weakened with increasing concentrations (5, 10, 15 and 20 µL dose) of C. bergamia EO. Statistically significant (p C. bergamia EO. The findings from the research may shed light on the further use of C. bergamia EO obtained from peels in innovative food engineering applications in order to maintain food quality, food safety, and food sustainability

Nondestructive Metabolomic Fingerprinting: FTIR, NIR and Raman Spectroscopy in Food Screening

In recent years, there has been renewed interest in the maintenance of food quality and food safety on the basis of metabolomic fingerprinting using vibrational spectroscopy combined with multivariate chemometrics. Nontargeted spectroscopy techniques such as FTIR, NIR and Raman can provide fingerprint information for metabolomic constituents in agricultural products, natural products and foods in a high-throughput, cost-effective and rapid way. In the current review, we tried to explain the capabilities of FTIR, NIR and Raman spectroscopy techniques combined with multivariate analysis for metabolic fingerprinting and profiling. Previous contributions highlighted the considerable potential of these analytical techniques for the detection and quantification of key constituents, such as aromatic amino acids, peptides, aromatic acids, carotenoids, alcohols, terpenoids and flavonoids in the food matrices. Additionally, promising results were obtained for the identification and characterization of different microorganism species such as fungus, bacterial strains and yeasts using these techniques combined with supervised and unsupervised pattern recognition techniques. In conclusion, this review summarized the cutting-edge applications of FTIR, NIR and Raman spectroscopy techniques equipped with multivariate statistics for food analysis and foodomics in the context of metabolomic fingerprinting and profiling

Chemical Fingerprinting of Seeds of Some <i>Salvia</i> Species in Turkey by Using GC-MS and FTIR

Six species of Salvia seeds cultivated and grown in Cumra/Konya (Turkey) were evaluated using headspace gas chromatography mass spectroscopy (GC-MS) and Fourier transform infrared spectroscopy-attenuated total reflectance (FTIR-ATR) combined chemometrics of hierarchical cluster analysis (HCA) and principal component analysis (PCA). The major volatile compounds in the Salvia species are determined as n-hexanal (present in seven samples), sabinene (present in three samples), &#945;-pinene (present in 13 samples), &#945;-thujone (present in four samples), borneol (present in 11 samples), linalyl acetate (present in 10 samples), &#946;-pinene (present in 13 samples), camphene (present in 13 samples), &#945;-thujene (present in four samples), 2,4(10)-thujadien (present in two samples), &#946;-myrcene (present in seven samples), limonen (present in 12 samples), 1,8-cineole (eucalyptol) (present in 13 samples) and camphor (present in nine samples). The most abundant (%) volatile compounds among all were detected as &#945;-pinene, camphene, &#946;-pinene and eucalyptol. For the first time, chemometrics of HCA and PCA is applied to FTIR and GC-MS data. The classification of all samples is performed on the basis of their chemical similarities and differences

Detection of Orange Essential Oil, Isopropyl Myristate, and Benzyl Alcohol in Lemon Essential Oil by FTIR Spectroscopy Combined with Chemometrics

Essential oils are high-valued natural extracts that are involved in industries such as food, cosmetics, and pharmaceutics. The lemon essential oil (LEO) has high economic importance in the food and beverage industry because of its health-beneficial characteristics and desired flavor properties. LEO, similar to other natural extracts, is prone to being adulterated through economic motivations. Adulteration causes unfair competition between vendors, disruptions in national economies, and crucial risks for consumers worldwide. There is a need for cost-effective, rapid, reliable, robust, and eco-friendly analytical techniques to detect adulterants in essential oils. The current research developed chemometric models for the quantification of three adulterants (orange essential oil, benzyl alcohol, and isopropyl myristate) in cold-pressed LEOs by using hierarchical cluster analysis (HCA), principal component regression (PCR), and partial least squares regression (PLSR) based on FTIR spectra. The cold-pressed LEO was successfully distinguished from adulterants by robust HCA. PLSR and PCR showed high accuracy with high R2 values (0.99&ndash;1) and low standard error of cross-validation (SECV) values (0.58 and 5.21) for cross-validation results of the raw, first derivative, and second derivative FTIR spectra. The findings showed that FTIR spectroscopy combined with multivariate analyses has a considerable capability to detect and quantify adulterants in lemon essential oil

An evaluation of FTIR spectroscopy for prediction of royal jelly content in hive products

Sagdic, Osman/0000-0002-2063-1462; BOZKURT, FATIH/0000-0003-4905-095XWOS:000506328600001In this work, a rapid FTIR-ATR spectroscopic method combined with chemometrics was developed to predict royal jelly content in hive products; namely, dietary supplements such as royal jelly, propolis, honey and pollen. FTIR spectra of royal jelly, propolis, honey and pollen as well as their mixtures and dietary supplements were characterized. Amide II spectral absorption band with a peak point around 1547 cm(-1) in the spectral range 1580-1500 cm(-1) was used for quantitative estimation based on the calibration method using Partial Least Squares Regression (PLSR) and principal component regression (PCR) analyses. The results from the developed FTIR technique were also validated by those from HPLC-PDA technique, revealing a good correlation between FTIR and HPLC results (R-2 = 0.99). The results of the present study suggest that the developed FTIR spectroscopy technique can be used to rapidly, easily and accurately predict the royal jelly content in the hive products

Determination and evaluation of in vitro bioaccessibility of added vitamin C in commercially available fruit-, vegetable-, and cereal-based baby foods

Knowing the bioaccessibility of vitamin C in foodstuffs produced for infants and young children is necessary to determine their daily vitamin C intake. The purpose of the present study was to investigate the bioaccessibility of vitamin C in fruit-, vegetable-, and cereal-based baby foodstuffs by an in vitro digestion model at varying gastric pHs. The concentrations of measured vitamin C were higher than the declared amounts on their label. The bioaccessibility of vitamin C ranged from 10.4 to 43.4%, and from 0.4 to 19.2% in fruit-and vegetable-based baby foodstuffs (declared vitamin C fortified) at gastric pH 1.5 and 4, respectively. For cereal-based baby foodstuffs, the bioaccessibility ranged from 1.3 to 53.8%, and from 0.3 to 26.3% at gastric pH 1.5 and 4, respectively. As revealed in this research, the bioaccessibility of vitamin C in baby foodstuffs is very low in both gastric pH conditions.Istanbul Sabahattin Zaim Universit

Primitive neuroectodermal tumor in a child with Currarino

Background. Curarino syndrome is a rare and complex anomaly with the triad of anorectal malformation, presacral mass and sacral bone deformation. The most common cause of the presacral mass is meningioma, but teratoma is the diagnosis in about one-third of the cases. Malignant transformation of teratoma in the form of carcinoma, rhabdomyosarcoma and leukemia have previously been reported on rare occasions. Case. A 19 month-old-girl was referred with a presacral mass of 29mm x 23mm x 24mm. She was diagnosed as Currarino syndrome. The presacral mass was surgically resected and pathological examination revealed a foci of primitive neurectodermal tumor. Conclusions. This is the first case of Currarino syndrome with a primitive neuroectodermal tumor (PNET) foci in the presacral mass. Considering the risk of malignant transformation, the accurate pathological examination is important for complete systemic evaluation and treatment plan in these children