scholarly journals An Authentication Study on Grappa Spirit: The Use of Chemometrics to Detect a Food Fraud

Analytica ◽  
2021 ◽  
Vol 2 (3) ◽  
pp. 84-92
Author(s):  
Silvia Arduini ◽  
Alessandro Zappi ◽  
Marcello Locatelli ◽  
Salvatore Sgrò ◽  
Dora Melucci
Keyword(s):  
Gas Chromatography ◽  
Principal Component ◽  
Volatile Fraction ◽  
Alcohol Content ◽  
Food Fraud ◽  
Linear Discriminant ◽  
Grape Marc ◽  
Class A ◽  
Flame Ionization ◽  
One Class Classification

An authenticity study on Italian grape marc spirit was carried out by gas chromatography (GC) and chemometrics. A grape marc spirit produced in Italy takes the particular name of “grappa”, a product which has peculiar tradition and production in its country of origin. Therefore, the evaluation of its authenticity plays an important role for its consumption in Italy, as well as for its exportation all around the world. For the present work, 123 samples of grappa and several kinds of spirits were analyzed in their alcohol content by electronic densimetry, and in their volatile fraction by gas-chromatography with a flame-ionization detector. Part of these samples (94) was employed as a training set to compute a chemometric model (by linear discriminant analysis, LDA) and the other part (29 samples) was used as a test set to validate it. Finally, two grappa samples seized from the market by the Italian Customs and Monopolies Agency and considered suspicious due to their aroma reported as non-compliant were projected onto the LDA model to evaluate the compliance with the “grappa” class. A further one-class classification method by principal component analysis (PCA) was carried out to evaluate the compliance with other classes. Results showed that the suspicious samples were not recognized as belonging to any of the analyzed spirit classes, confirming the starting hypothesis that they could be grappa samples adulterated in some way.

scholarly journals Real Time Breath Analysis Using Portable Gas Chromatography for Adult Asthma Phenotypes

Metabolites ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 265
Author(s):  
Ruchi Sharma ◽  
Wenzhe Zang ◽  
Menglian Zhou ◽  
Nicole Schafer ◽  
Lesa A. Begley ◽  
...  
Keyword(s):  
Gas Chromatography ◽  
Real Time ◽  
Rapid Assessment ◽  
Principal Component ◽  
Corticosteroid Treatment ◽  
Breath Analysis ◽  
Blood Eosinophil ◽  
Exhaled Breath ◽  
Respiratory Illnesses ◽  
Linear Discriminant

Asthma is heterogeneous but accessible biomarkers to distinguish relevant phenotypes remain lacking, particularly in non-Type 2 (T2)-high asthma. Moreover, common clinical characteristics in both T2-high and T2-low asthma (e.g., atopy, obesity, inhaled steroid use) may confound interpretation of putative biomarkers and of underlying biology. This study aimed to identify volatile organic compounds (VOCs) in exhaled breath that distinguish not only asthmatic and non-asthmatic subjects, but also atopic non-asthmatic controls and also by variables that reflect clinical differences among asthmatic adults. A total of 73 participants (30 asthma, eight atopic non-asthma, and 35 non-asthma/non-atopic subjects) were recruited for this pilot study. A total of 79 breath samples were analyzed in real-time using an automated portable gas chromatography (GC) device developed in-house. GC-mass spectrometry was also used to identify the VOCs in breath. Machine learning, linear discriminant analysis, and principal component analysis were used to identify the biomarkers. Our results show that the portable GC was able to complete breath analysis in 30 min. A set of nine biomarkers distinguished asthma and non-asthma/non-atopic subjects, while sets of two and of four biomarkers, respectively, further distinguished asthmatic from atopic controls, and between atopic and non-atopic controls. Additional unique biomarkers were identified that discriminate subjects by blood eosinophil levels, obese status, inhaled corticosteroid treatment, and also acute upper respiratory illnesses within asthmatic groups. Our work demonstrates that breath VOC profiling can be a clinically accessible tool for asthma diagnosis and phenotyping. A portable GC system is a viable option for rapid assessment in asthma.

scholarly journals A Quick and Efficient Non-Targeted Screening Test for Saffron Authentication: Application of Chemometrics to Gas-Chromatographic Data

Molecules ◽  
2019 ◽  
Vol 24 (14) ◽  
pp. 2602 ◽  
Author(s):  
Pietro Morozzi ◽  
Alessandro Zappi ◽  
Fernando Gottardi ◽  
Marcello Locatelli ◽  
Dora Melucci
Keyword(s):  
Gas Chromatography ◽  
Discriminant Analysis ◽  
Curcuma Longa ◽  
Low Cost ◽  
External Validation ◽  
Screening Method ◽  
Prediction Ability ◽  
Linear Discriminant ◽  
Chromatographic Data ◽  
Flame Ionization

Saffron is one of the most adulterated food products all over the world because of its high market prize. Therefore, a non-targeted approach based on the combination of headspace flash gas-chromatography with flame ionization detection (HS-GC-FID) and chemometrics was tested and evaluated to check adulteration of this spice with two of the principal plant-derived adulterants: turmeric (Curcuma longa L.) and marigold (Calendula officinalis L.). Chemometric models were carried out through both linear discriminant analysis (LDA) and partial least squares discriminant analysis (PLS-DA) from the gas-chromatographic data. These models were also validated by cross validation (CV) and external validation, which were performed by testing both models on pure spices and artificial mixtures capable of simulating adulterations of saffron with the two adulterants examined. These models gave back satisfactory results. Indeed, both models showed functional internal and external prediction ability. The achieved results point out that the method based on a combination of chemometrics with gas-chromatography may provide a rapid and low-cost screening method for the authentication of saffron.

scholarly journals Safety Evaluation of the Grape Marc Spirit by GC-FID Analysis

2013 ◽  
Vol 70 (1) ◽  
pp. 33
Author(s):  
Teodora Coldea ◽  
Elena Mudura ◽  
Nicoleta Ranta ◽  
Darius Hadarean
Keyword(s):  
European Union ◽  
Volatile Compounds ◽  
Ethyl Alcohol ◽  
Safety Evaluation ◽  
Internal Standard ◽  
Isoamyl Alcohol ◽  
Grape Pomace ◽  
Alcohol Content ◽  
Grape Marc ◽  
Flame Ionization

There were investigated grape marc spirits regarding their safety on consumers. Major volatile compounds which present risk to human health (such as methanol, furfural, and acetaldehyde) and ethyl alcohol content were compared to European Union Regulation and other values found in previous studies.  The aim of our study was to evaluate the safety of grape marc spirits considering their content in major volatile compounds by comparison with the requirements of European Union Regulation. We investigated the ethyl alcohol content by electronic densimetry and 10 major volatile compounds (acetaldehyde, ethyl acetate, methanol, 1-propanol, 1-butanol, 2-butanol, isobutyl alcohol, isoamyl alcohol, amyl active alcohol and furfural) by Gas Chromatography coupled with Flame Ionization Detector. We used reference chemicals to identify these compounds and 3-pentanol as internal standard to quantify the volatiles. Results were compared with the requirements of European Union Regulation. All major volatile compounds registered values in accordance to EU Regulation and the grape pomace spirits samples do not present any kind of risk for consumption.

scholarly journals Contribution of some grape-derived aromatic compounds to the primary aroma in red wines from cv. Caiño Tinto, cv. Caiño Bravo and cv. Caiño Longo grapes

2007 ◽  
Vol 146 (3) ◽  
pp. 325-332 ◽  
Author(s):  
M. VILANOVA ◽  
S. CORTÉS ◽  
J. L. SANTIAGO ◽  
C. MARTÍNEZ ◽  
E. FERNÁNDEZ
Keyword(s):  
Principal Component Analysis ◽  
Gas Chromatography ◽  
Volatile Compounds ◽  
Aromatic Compounds ◽  
Principal Component ◽  
Red Wines ◽  
Ionization Detector ◽  
Good Separation ◽  
Flame Ionization ◽  
Hydrolysis Of

SUMMARYThe free volatile compounds of two successive vintages of cv. Caiño Tinto, Caiño Bravo and Caiño Longo red wines, together with the volatile compounds released after the enzymatic hydrolysis of their glycosidically bound forms, were identified and quantified by gas chromatography using a flame ionization detector (GC/FID). All these wines possessed the same free volatile compounds; Caiño Longo wines showed the highest concentrations and Caiño Tinto wines the lowest. In all cases, the release of the bound forms of these compounds may contribute to the final aroma, from both a qualitative standpoint (with the appearance of free 4-terpineol, nerol and geraniol) and quantitative standpoint (notable increases were recorded for most of the compounds detected). The principal component analysis (PCA) showed a good separation of the different wine cultivars and vintages. Caiño Tinto wines were more homogeneous between vintages than the others.

scholarly journals Essential Oils from Fresh Fruits, Fruit Stalks and Stem Barks of Four Piper nigrum Varieties from Sarawak

1970 ◽  
Vol 3 (1) ◽  
pp. 43-51 ◽  
Author(s):  
Irna Syairina Sahari ◽  
Zaini Assim ◽  
Fasihuddin Badruddin Ahmad ◽  
Ismail Bin Jusoh
Keyword(s):  
Gas Chromatography ◽  
Essential Oils ◽  
Principal Component ◽  
Gas Chromatography Mass Spectrometry ◽  
Piper Nigrum ◽  
Chemical Compositions ◽  
Ionization Detector ◽  
Flame Ionization ◽  
Oil Components ◽  
Type Apparatus

The variation of chemical compositions in essential oils obtained from fresh fruits, fruit stalks and stem barks offour Piper nigrum L. varieties was analysed using capillary gas chromatography-flame ionization detector (GCFID)and gas chromatography-mass spectrometry (GC-MS). The essential oils were extracted byhydrodistillation Clevenger-type apparatus. The major oil constituents identified in all samples were β-elemene(1.07-2.93%), (+)-δ-cadinene (0.58-6.20%), α-caryophyllene (1.90-6.21%), δ-elemene (0.38-13.26%), 3-carene(0.07-16.82%) and β-caryophyllene (11.78-38.33%). All oil samples showed high content of sesquiterpenes,whereas fruit oils from Semongok Emas and Semongok Wan yielded mostly monoterpenes. Hierarchicalclustering and principal component analysis (PCA) of the oil components revealed significant correlationamongst individual P. nigrum oil samples.

scholarly journals Seasonal variability of the essential oil of Hesperozygis ringens (Benth.) Epling.

2016 ◽  
Vol 76 (1) ◽  
pp. 176-184 ◽  
Author(s):  
C. G. Pinheiro ◽  
C. M. Machado ◽  
L. P. Amaral ◽  
D. T. Silva ◽  
C. A. A. Almeida ◽  
...  
Keyword(s):  
Gas Chromatography ◽  
Chemical Composition ◽  
Essential Oil ◽  
Native Species ◽  
Chemical Constituents ◽  
Principal Component ◽  
Hierarchical Cluster ◽  
Flame Ionization ◽  
Four Seasons ◽  
Three Samples

Abstract This study was developed to evaluate the effect of seasonality on the yield and chemical composition of the essential oil (EO) of Hesperozygis ringens (Benth.) Epling, a native species from the Brazilian Pampa. Leaves were collected from four specimens of a single population in each of the four seasons for a year and were extracted in triplicate by hydro-distillation for 2 hours. The yield of EO (% w/w) was calculated on fresh weight basis (FWB), and the 16 oil samples were analyzed by gas chromatography coupled to mass spectrometry (GC-MS) and gas chromatography with flame ionization detector (GC-FID). Hierarchical Cluster Analysis (HCA) and Principal Component Analysis (PCA) were used as statistical tools to evaluate differences in chemical composition. The highest yields were obtained in autumn, spring and summer (2.32-4.38%), while the lowest yields were detected in winter, ranging from 1.15 to 1.91%. Oxygenated monoterpenoids were the predominant class of chemical constituents in the EO obtained in all seasons, showing the highest contents in autumn and summer, and pulegone was identified as a major compound, whose contents varied between 54.13 and 81.17%. The EO samples were divided into three chemical groups by HCA and PCA and were assigned to the same group, except for the three samples gathered in winter. The results showed a seasonal influence on the yield and chemical composition of the EO.

scholarly journals Rapid breath analysis for acute respiratory distress syndrome diagnostics using a portable 2-dimensional gas chromatography device

2019 ◽  
Author(s):  
Menglian Zhou ◽  
Ruchi Sharma ◽  
Hongbo Zhu ◽  
Jiliang Li ◽  
Shiyu Wang ◽  
...  
Keyword(s):  
Gas Chromatography ◽  
Acute Respiratory Distress Syndrome ◽  
Respiratory Distress Syndrome ◽  
Respiratory Distress ◽  
Predictive Value ◽  
Distress Syndrome ◽  
Principal Component ◽  
Breath Analysis ◽  
Exhaled Breath ◽  
Linear Discriminant

AbstractAcute respiratory distress syndrome (ARDS) is the most severe form of acute lung injury, responsible for high mortality and long-term morbidity. As a dynamic syndrome with multiple etiologies its timely diagnosis is difficult as is tracking the course of the syndrome. Therefore, there is a significant need for early, rapid detection and diagnosis as well as clinical trajectory monitoring of ARDS. Here we report our work on using human breath to differentiate ARDS and non-ARDS causes of respiratory failure. A fully automated portable 2-dimensional gas chromatography device with high peak capacity, high sensitivity, and rapid analysis capability was designed and made in-house for on-site analysis of patients’ breath. A total of 85 breath samples from 48 ARDS patients and controls were collected. Ninety-seven elution peaks were separated and detected in 13 minutes. An algorithm based on machine learning, principal component analysis (PCA), and linear discriminant analysis (LDA) was developed. As compared to the adjudications done by physicians based on the Berlin criteria, our device and algorithm achieved an overall accuracy of 87.1% with 94.1% positive predictive value and 82.4% negative predictive value. The high overall accuracy and high positive predicative value suggest that the breath analysis method can accurately diagnose ARDS. The ability to continuously and non-invasively monitor exhaled breath for early diagnosis, disease trajectory tracking, and outcome prediction monitoring of ARDS may have a significant impact on changing practice and improving patient outcomes.

scholarly journals Authentication of the Botanical and Geographical Origin and Detection of Adulteration of Olive Oil Using Gas Chromatography, Infrared and Raman Spectroscopy Techniques: A Review

Foods ◽  
2021 ◽  
Vol 10 (7) ◽  
pp. 1565
Author(s):  
Eleni Kakouri ◽  
Panagiota-Kyriaki Revelou ◽  
Charalabos Kanakis ◽  
Dimitra Daferera ◽  
Christos S. Pappas ◽  
...  
Keyword(s):  
Gas Chromatography ◽  
Raman Spectroscopy ◽  
Olive Oil ◽  
Nutritional Value ◽  
Review Paper ◽  
Geographical Origin ◽  
Analytical Techniques ◽  
Volatile Fraction ◽  
Olive Oils ◽  
Infrared And Raman Spectroscopy

Olive oil is among the most popular supplements of the Mediterranean diet due to its high nutritional value. However, at the same time, because of economical purposes, it is also one of the products most subjected to adulteration. As a result, authenticity is an important issue of concern among authorities. Many analytical techniques, able to detect adulteration of olive oil, to identify its geographical and botanical origin and consequently guarantee its quality and authenticity, have been developed. This review paper discusses the use of infrared and Raman spectroscopy as candidate tools to examine the authenticity of olive oils. It also considers the volatile fraction as a marker to distinguish between different varieties and adulterated olive oils, using SPME combined with gas chromatography technique.

scholarly journals Chemical Constituents of the Essential Oil from Ecuadorian Endemic Species Croton ferrugineus and Its Antimicrobial, Antioxidant and α-Glucosidase Inhibitory Activity

Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4608
Author(s):  
Eduardo Valarezo ◽  
Génesis Gaona-Granda ◽  
Vladimir Morocho ◽  
Luis Cartuche ◽  
James Calva ◽  
...  
Keyword(s):  
Gas Chromatography ◽  
Essential Oil ◽  
Endemic Species ◽  
Chemical Constituents ◽  
Radical Scavenging ◽  
Moderate Activity ◽  
Gram Positive Bacteria ◽  
Flame Ionization ◽  
Total Composition ◽  
Radical Scavenging Properties

Croton ferrugineus Kunth is an endemic species of Ecuador used in traditional medicine both for wound healing and as an antiseptic. In this study, fresh Croton ferrugineus leaves were collected and subjected to hydrodistillation for extraction of the essential oil. The chemical composition of the essential oil was determined by gas chromatography equipped with a flame ionization detector and gas chromatography coupled to a mass spectrometer using a non-polar and a polar chromatographic column. The antibacterial activity was assayed against three Gram-positive bacteria, one Gram-negative bacterium and one dermatophyte fungus. The radical scavenging properties of the essential oil was evaluated by means of DPPH and ABTS assays. The chemical analysis allowed us to identify thirty-five compounds representing more than 99.95% of the total composition. Aliphatic sesquiterpene hydrocarbon trans-caryophyllene was the main constituent with 20.47 ± 1.25%. Other main compounds were myrcene (11.47 ± 1.56%), β-phellandrene (10.55 ± 0.02%), germacrene D (7.60 ± 0.60%), and α-humulene (5.49 ± 0.38%). The essential oil from Croton ferrugineus presented moderate activity against Candida albicans (ATCC 10231) with an MIC of 1000 μg/mL, a scavenging capacity SC50 of 901 ± 20 µg/mL with the ABTS method, and very strong antiglucosidase activity with an IC50 of 146 ± 20 µg/mL.

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