Your browser doesn't support javascript.
loading
Show: 20 | 50 | 100
Results 1 - 20 de 154
Filter
1.
Molecules ; 29(3)2024 Jan 23.
Article in English | MEDLINE | ID: mdl-38338309

ABSTRACT

Tea infusions are the most consumed beverages in the world after water; their pleasant yet peculiar flavor profile drives consumer choice and acceptance and becomes a fundamental benchmark for the industry. Any qualification method capable of objectifying the product's sensory features effectively supports industrial quality control laboratories in guaranteeing high sample throughputs even without human panel intervention. The current study presents an integrated analytical strategy acting as an Artificial Intelligence decision tool for black tea infusion aroma and taste blueprinting. Key markers validated by sensomics are accurately quantified in a wide dynamic range of concentrations. Thirteen key aromas are quantitatively assessed by standard addition with in-solution solid-phase microextraction sampling followed by GC-MS. On the other hand, nineteen key taste and quality markers are quantified by external standard calibration and LC-UV/DAD. The large dynamic range of concentration for sensory markers is reflected in the selection of seven high-quality teas from different geographical areas (Ceylon, Darjeeling Testa Valley and Castleton, Assam, Yunnan, Azores, and Kenya). The strategy as a sensomics-based expert system predicts teas' sensory features and acts as an AI smelling and taste machine suitable for quality controls.


Subject(s)
Artificial Intelligence , Volatile Organic Compounds , Humans , China , Tea , Smell , Odorants/analysis , Quality Control , Volatile Organic Compounds/analysis
2.
Planta Med ; 90(4): 267-275, 2024 Apr.
Article in English | MEDLINE | ID: mdl-38081308

ABSTRACT

Tyrosinase is a target enzyme to be inhibited in order to reduce excessive melanin production and prevent typical age-related skin disorders. Essential oils are complex mixtures of volatile compounds, belonging mainly to monoterpenoids and sesquiterpenoids, which have been relatively little studied as tyrosinase inhibitors. Among the monoterpenoids, citral (a mixture of neral and geranial) is a fragrance compound in several essential oils that has shown interesting tyrosinase inhibitory activity. Although citral is listed as an allergen among the 26 fragrances in Annex III of the Cosmetics Directive 2003/15/EC, it can be safely used for the formulation of topical products in amounts that are not expected to cause skin sensitization, as shown by various commercially available products.The aim of this work was to evaluate two different formulations (oil/water emulsion, oily solution) containing a new combination of essential oils (Litsea cubeba, Pinus mugo, Cymbopogon winterianus) applied to the skin both in nonocclusive and partially occlusive modes. The blend is designed to reduce the concentration of citral to avoid potential skin reactions while taking advantage of the inhibitory activity of citral. Specifically, the amount of citral and other bioactive compounds (myrcene, citronellal) delivered through the skin was studied as a function of formulation and mode of application.The results show that an oil/water emulsion is preferable because it releases the bioactive compounds rapidly and minimizes their evaporative loss. In addition, semi-occluded conditions are required to prevent evaporation, resulting in higher availability of the bioactive compounds in viable skin.


Subject(s)
Acyclic Monoterpenes , Cymbopogon , Litsea , Oils, Volatile , Pinus , Oils, Volatile/pharmacology , Monophenol Monooxygenase , Emulsions , Monoterpenes/pharmacology
3.
Food Res Int ; 174(Pt 1): 113577, 2023 12.
Article in English | MEDLINE | ID: mdl-37986525

ABSTRACT

Diterpenes are group of compounds of the terpenic fraction of roasted coffee and account for about 7-20 % (w/w) of the lipid fraction. Several parameters can influence their occurrence in coffee beans and beverages including species and post-harvest processing. Diterpenes in coffee have been studied extensively, but to the best of the authors' knowledge, there is no information in the literature on their stability over time. Coffee is a relatively stable product under optimal temperature, humidity and oxygen conditions. However, during storage it can undergo a series of chemical and physical reactions that alter its flavour and lead to rancidity, mainly due to the oxidative reactions that take place on the lipid fraction. In this study, the effect of long-term storage on the diterpene content of different commercial coffee blends and packaging is analysed and critically discussed. The Results show that the storage influences the internal environment of the capsules with an increase in moisture and a decrease in pH favouring more reactive conditions, especially for Eco capsules. Relative stability over time is observed for cafestol and kahweol. dehydro derivatives show a degradation up to T60 independently on the blends and packaging, which is not related to their precursors. The permeability of packaging and blends affect the modification of these components: while a drastic oxidation process takes place in Arabica eco compatible capsules (PC) when acidity and moisture increase, in Arabica/Robusta eco compatible capsules (IC) as well as in Arabica/Robusta and Arabica standard capsules (IS and PS) the peroxides tend to increase resulting in an autocatalytic propagation.


Subject(s)
Coffea , Diterpenes , Aluminum , Coffea/chemistry , Diterpenes/analysis , Temperature , Polymers , Lipids
4.
Plants (Basel) ; 12(19)2023 Oct 02.
Article in English | MEDLINE | ID: mdl-37836202

ABSTRACT

Elettaria cardamomum (L.) Maton (Zingiberaceae family) is a plant traditionally used in Ayurvedic and Chinese medicine. In this work, the essential oil of E. cardamomum was found to inhibit the enzymes AChE (62.6% of inhibition, IC50 24.9 µg/mL) and BChE (55.8% of inhibition, IC50 25.9 µg/mL) by performing an in vitro colorimetric assay using the Ellman method. A bio-guided fractionation approach was used to isolate fractions/pure compounds that were tested individually to evaluate their activity. The resulting oxygenated fraction was found to be active against both AChE (percentage inhibition 42.8%) and BChE (percentage inhibition 63.7%), while the hydrocarbon fraction was inactive. The activity was attributed to a pool of oxygenated terpenes (α-terpinyl acetate, 1,8-cineole, linalool, linalyl acetate, and α-terpineol) that synergistically contributed to the overall activity of the essential oil.

5.
Food Res Int ; 172: 113199, 2023 10.
Article in English | MEDLINE | ID: mdl-37689847

ABSTRACT

In this study, HS-SPME-GC-MS was applied in combination with machine learning tools to the identitation of a set of cocoa samples of different origins. Untargeted fingerprinting and profiling approaches were tested for their informative, discriminative and classification ability provided by the volatilome of the raw beans and liquors inbound at the factory in search of robust tools exploitable for long-time studies. The ability to distinguish the country of origin on both beans and liquors is not so obvious due to processing steps accompanying the transformation of the beans, but this capacity is of particular interest to the chocolate industry as both beans and liquors can enter indifferently into the processing of chocolate. Both fingerprinting (untargeted) and profiling (targeted) strategies enable to decipher of the information contained in the complex dataset and the cross-validation of the results, affording to discriminate between the origins with effective classification models.


Subject(s)
Cacao , Chocolate , Food , Alcoholic Beverages , Gas Chromatography-Mass Spectrometry
6.
J Chromatogr A ; 1700: 464041, 2023 Jul 05.
Article in English | MEDLINE | ID: mdl-37150088

ABSTRACT

Effective investigation of food volatilome by comprehensive two-dimensional gas chromatography with parallel detection by mass spectrometry and flame ionization detector (GC×GC-MS/FID) gives access to valuable information related to industrial quality. However, without accurate quantitative data, results transferability over time and across laboratories is prevented. The study applies quantitative volatilomics by multiple headspace solid phase microextraction (MHS-SPME) to a large selection of hazelnut samples (Corylus avellana L. n = 207) representing the top-quality selection of interest for the confectionery industry. By untargeted and targeted fingerprinting, performant classification models validate the role of chemical patterns strongly correlated to quality parameters (i.e., botanical/geographical origin, post-harvest practices, storage time and conditions). By quantification of marker analytes, Artificial Intelligence (AI) tools are derived: the augmented smelling based on sensomics with blueprint related to key-aroma compounds and spoilage odorant; decision-makers for rancidity level and storage quality; origin tracers. By reliable quantification AI can be applied with confidence and could be the driver for industrial strategies.


Subject(s)
Corylus , Volatile Organic Compounds , Volatile Organic Compounds/analysis , Artificial Intelligence , Gas Chromatography-Mass Spectrometry/methods , Food Quality , Mass Spectrometry , Odorants/analysis , Corylus/chemistry , Solid Phase Microextraction
7.
J Chromatogr A ; 1699: 464010, 2023 Jun 21.
Article in English | MEDLINE | ID: mdl-37116300

ABSTRACT

Computer Vision is an approach of Artificial Intelligence (AI) that conceptually enables "computers and systems to derive useful information from digital images" giving access to higher-level information and "take actions or make recommendations based on that information". Comprehensive two-dimensional chromatography gives access to highly detailed, accurate, yet unstructured information on the sample's chemical composition, and makes it possible to exploit the AI concepts at the data processing level (e.g., by Computer Vision) to rationalize raw data explorations. The goal is the understanding of the biological phenomena interrelated to a specific/diagnostic chemical signature. This study introduces a novel workflow for Computer Vision based on pattern recognition algorithms (i.e., combined untargeted and targeted UT fingerprinting) which includes the generation of composite Class Images for representative samples' classes, their effective re-alignment and registration against a comprehensive feature template followed by Augmented Visualization by comparative visual analysis. As an illustrative application, a sample set originated from a Research Project on artisanal butter (from raw sweet cream to ripened butter) is explored, capturing the evolution of volatile components along the production chain and the impact of different microbial cultures on the finished product volatilome. The workflow has significant advantages compared to the classical one-step pairwise comparison process given the ability to realign and pairwise compare both targeted and untargeted chromatographic features belonging to Class Images resembling chemical patterns from many different samples with intrinsic biological variability.


Subject(s)
Volatile Organic Compounds , Gas Chromatography-Mass Spectrometry/methods , Volatile Organic Compounds/analysis , Artificial Intelligence , Food , Computers
9.
Anal Bioanal Chem ; 415(13): 2493-2509, 2023 May.
Article in English | MEDLINE | ID: mdl-36631574

ABSTRACT

Comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (GC × GC-TOFMS) is one the most powerful analytical platforms for chemical investigations of complex biological samples. It produces large datasets that are rich in information, but highly complex, and its consistency may be affected by random systemic fluctuations and/or changes in the experimental parameters. This study details the optimization of a data processing strategy that compensates for severe 2D pattern misalignments and detector response fluctuations for saliva samples analyzed across 2 years. The strategy was trained on two batches: one with samples from healthy subjects who had undergone dietary intervention with high/low-Maillard reaction products (dataset A), and the second from healthy/unhealthy obese individuals (dataset B). The combined untargeted and targeted pattern recognition algorithm (i.e., UT fingerprinting) was tuned for key process parameters, the signal-to-noise ratio (S/N), and MS spectrum similarity thresholds, and then tested for the best transform function (global or local, affine or low-degree polynomial) for pattern realignment in the temporal domain. Reliable peak detection achieved its best performance, computed as % of false negative/positive matches, with a S/N threshold of 50 and spectral similarity direct match factor (DMF) of 700. Cross-alignment of bi-dimensional (2D) peaks in the temporal domain was fully effective with a supervised operation including multiple centroids (reference peaks) and a match-and-transform strategy using affine functions. Regarding the performance-derived response fluctuations, the most promising strategy for cross-comparative analysis and data fusion included the mass spectral total useful signal (MSTUS) approach followed by Z-score normalization on the resulting matrix.


Subject(s)
Metabolome , Saliva , Humans , Gas Chromatography-Mass Spectrometry/methods , Algorithms
10.
Foods ; 11(24)2022 Dec 16.
Article in English | MEDLINE | ID: mdl-36553825

ABSTRACT

This study examines the volatilome of good and oxidised coffee samples from two commercial coffee species (i.e., Coffea arabica (arabica) and Coffea canephora (robusta)) in different packagings (i.e., standard with aluminium barrier and Eco-caps) to define a fingerprint potentially describing their oxidised note, independently of origin and packaging. The study was carried out using HS-SPME-GC-MS/FPD in conjunction with a machine learning data processing. PCA and PLS-DA were used to extrapolate 25 volatiles (out of 147) indicative of oxidised coffees, and their behaviour was compared with literature data and critically discussed. An increase in four volatiles was observed in all oxidised samples tested, albeit to varying degrees depending on the blend and packaging: acetic and propionic acids (pungent, acidic, rancid), 1-H-pyrrole-2-carboxaldehyde (musty), and 5-(hydroxymethyl)-dihydro-2(3H)-furanone.

11.
Foods ; 11(19)2022 Oct 06.
Article in English | MEDLINE | ID: mdl-36230187

ABSTRACT

Edible nuts and dried fruits, usually traded together in the global market, are one of the cornerstones of the Mediterranean diet representing a source of essential nutrients and bioactives. The food industry has an interest in the selection of high-quality materials for new product development while also matching consumers' expectations in terms of sensory quality. In this study, walnuts (Juglans regia), almonds (Prunus dulcis), and dried pineapples (Ananas comosus) are selected as food models to develop an integrated analytical strategy for the informative volatile organic compounds (VOCs) quali- and quantitative profiling. The study deals with VOCs monitoring over time (12 months) and in the function of storage conditions (temperature and atmosphere).VOCs are targeted within those: (i) with a role in the product's aroma blueprint (i.e., key-aromas and potent odorants); (ii) responsible for sensory degradation (i.e., rancidity); and/or (iii) formed by lipid autoxidation process. By accurate quantitative determination of volatile lipid oxidation markers (i.e., hexanal, heptanal, octanal, nonanal, decanal, (E)-2-heptenal, (E)-2-octenal, (E)-2-nonenal) product quality benchmarking is achieved. The combination of detailed VOCs profiling by headspace solid phase microextraction (HS-SPME) combined with gas chromatography-mass spectrometry (GC-MS) and accurate quantification of rancidity markers by multiple headspace-SPME (MHS-SPME) answers many different questions about shelf-life (i.e., aroma, storage stability, impact of temperature and storage atmosphere, rancidity level), while providing reliable and robust data for long-range studies and quality controls. The quantification associated with HS-SPME profiling is demonstrated and critically commented on to help the industrial research in a better understanding of the most suitable analytical strategies for supporting primary materials selection and new product development.

12.
J Phys Chem A ; 126(38): 6719-6733, 2022 Sep 29.
Article in English | MEDLINE | ID: mdl-36126273

ABSTRACT

Vibrational circular dichroism (VCD) spectra and the corresponding IR spectra of the chiral isomers of methyloxirane and of methylthiirane have been reinvestigated, both experimentally and theoretically, with particular attention to accounting for anharmonic corrections, as calculated by the GVPT2 approach. De novo recorded VCD spectra in the near IR (NIR) range regarding CH-stretching overtone transitions, together with the corresponding NIR absorption spectra, were also considered and accounted for, both with the GVPT2 and with the local mode approaches. Comparison of the two methods has permitted us to better describe the nature of active "anharmonic" modes in the two molecules and the role of mechanical and electrical anharmonicity in determining the intensities of VCD and IR/NIR data. Finally, two nonstandard IR/NIR regions have been investigated: the first one about ≈2000 cm-1, involving mostly two-quanta bending mode transitions, the second one between 7000 and 7500 cm-1 involving three-quanta transitions containing CH-stretching overtones and HCC/HCH bending modes.

13.
Food Chem ; 393: 133406, 2022 Nov 01.
Article in English | MEDLINE | ID: mdl-35696948

ABSTRACT

Acrylamide (AA) is a product of food heating process that is widely present in cooked foods and known to be toxic to humans. Exposure data has revealed coffee to be one of the sources of this toxicant in adult diets. A great deal of effort has been invested into finding ways of reducing AA formation during coffee processing. However, despite the accumulated knowledge and mitigation strategies applied so far, AA reduction in coffee is still a challenge compared to other heat-processed foods in which the wider raw-material selection and progress in technological processes and/or changes in the recipes are possible at the industrial level. This review presents a critical analysis of the accumulated knowledge on the formation of AA in coffee as well as on the mitigation strategies that have been investigated to date, with a focus on current applicability in industry and little explored topics.


Subject(s)
Acrylamide , Coffee , Acrylamide/analysis , Diet , Food Contamination/analysis , Food Handling , Hot Temperature , Humans
14.
Front Plant Sci ; 13: 844711, 2022.
Article in English | MEDLINE | ID: mdl-35548269

ABSTRACT

The volatile fraction of plant-based foods provides useful functional information concerning sample-related variables such as plant genotype and phenotype expression, pedoclimatic and harvest conditions, transformation/processing technologies, and can be informative about the sensory quality. In this respect, the enantiomeric recognition of the chiral compounds increases the level of information in profiling studies, being the biosynthesis of native compounds often stereo-guided. Chiral native volatiles mostly show an enantiomeric excess that enables origin authentication or support correlation studies between chemical patterns and sensory profiles. This study focuses, for the first time, on the enantiomeric composition of a large set of chiral compounds within the complex volatilome of Corylus avellana L. belonging to different cultivars (Tonda Gentile Romana, Tonda Gentile Trilobata, Anakliuri) and harvested in different geographical areas (Italian and Georgian). Besides native components profiled in raw kernels, volatiles formed after technological treatment (i.e., roasting) are also considered. Headspace solid-phase microextraction combined with enantioselective gas chromatography-mass spectrometry enables the accurate tracking and annotation of about 150 compounds across many samples. The results show that chiral compounds have diagnostic distribution patterns within hazelnut volatilome with cultivar and harvest region playing the major role. Moreover, being some of these chiral molecules also key-aromas, their distribution has a decisive impact on the sensory properties of the product. In particular, the enantiomeric composition of (E)-5-methyl-2-hepten-4-one (filbertone) resulted to be discriminant for origin authentication. The enantiomeric distribution showed, according to literature, an excess of the (S)-enantiomer in both raw and roasted samples volatilome with larger differences in raw samples. The amount of both (R) and (S)-filbertone increases during roasting; the most marked increase for (R)-enantiomer is observed in Italian samples, thus supporting evidence of better hedonic properties and more pleasant odor and aroma.

15.
Front Plant Sci ; 13: 840028, 2022.
Article in English | MEDLINE | ID: mdl-35310662

ABSTRACT

The volatilome of hazelnuts (Corylus avellana L.) encrypts information about phenotype expression as a function of cultivar/origin, post-harvest practices, and their impact on primary metabolome, storage conditions and shelf-life, spoilage, and quality deterioration. Moreover, within the bulk of detectable volatiles, just a few of them play a key role in defining distinctive aroma (i.e., aroma blueprint) and conferring characteristic hedonic profile. In particular, in raw hazelnuts, key-odorants as defined by sensomics are: 2,3-diethyl-5-methylpyrazine (musty and nutty); 2-acetyl-1,4,5,6-tetrahydropyridine (caramel); 2-acetyl-1-pyrroline (popcorn-like); 2-acetyl-3,4,5,6-tetrahydropyridine (roasted, caramel); 3-(methylthio)-propanal (cooked potato); 3-(methylthio)propionaldehyde (musty, earthy); 3,7-dimethylocta-1,6-dien-3-ol/linalool (citrus, floral); 3-methyl-4-heptanone (fruity, nutty); and 5-methyl-(E)-2-hepten-4-one (nutty, fruity). Dry-roasting on hazelnut kernels triggers the formation of additional potent odorants, likely contributing to the pleasant aroma of roasted nuts. Whiting the newly formed aromas, 2,3-pentanedione (buttery); 2-propionyl-1-pyrroline (popcorn-like); 3-methylbutanal; (malty); 4-hydroxy-2,5-dimethyl-3(2H)-furanone (caramel); dimethyl trisulfide (sulfurous, cabbage) are worthy to be mentioned. The review focuses on high-quality hazelnuts adopted as premium primary material by the confectionery industry. Information on primary and secondary/specialized metabolites distribution introduces more specialized sections focused on volatilome chemical dimensions and their correlation to cultivar/origin, post-harvest practices and storage, and spoilage phenomena. Sensory-driven studies, based on sensomic principles, provide insights on the aroma blueprint of raw and roasted hazelnuts while robust correlations between non-volatile precursors and key-aroma compounds pose solid foundations to the conceptualization of aroma potential.

16.
J Chromatogr A ; 1664: 462796, 2022 Feb 08.
Article in English | MEDLINE | ID: mdl-34999302

ABSTRACT

Phosphonium-based ionic liquids (ILs) have proven to be successful stationary phases (SPs) for gas chromatography (GC) in several fields of application because of their unique selectivity and good chromatographic properties. This study focuses on the use of two ILs as GC SPs that are based on the phosphonium derivatives trihexyl(tetradecyl)phosphonium chloride ([P66614+] [Cl-]), and trihexyl(tetradecyl)phosphonium bis[(trifluoromethyl)sulfonyl]imide ([P66614+][NTf2-]), which have previously been shown to be complementary in terms of chromatographic selectivity and retention. Their application in routine analysis has been limited by their lower maximum allowable operating temperatures (MAOT) (200 °C for the [P66614+][Cl-] IL and 180 °C for [P66614+][NTf2-]), which restricts their use to samples that consist of analytes with relatively high volatility. A previous study carried out in the Authors' laboratory focused on extending the use of the [P66614+][Cl-] IL SP to the analysis of samples with analytes of medium-to-low volatility by optimizing column characteristics and operative conditions. This study addresses the immobilization of both the [P66614+][Cl-] and [P66614+][NTf2-] ILs to the inner wall of fused silica columns to increase their MAOT under soft and hard reaction conditions. The resulting MAOT depended on more or less drastic immobilization conditions, and reached 220 °C for soft immobilization (So-Im) and 240 °C for hard immobilization (Ha-Im) in the [P66614+][Cl-] IL columns, and 200 °C for So-Im and 220° for Ha-Im in columns coated with the [P66614+] [NTf2-] IL. The influence of immobilization on the separation power and performance of all the columns has been evaluated using i) the Grob test, ii) a model mixture of 41 compounds of different polarity, structure, and with different organic functional groups representative of the flavor and fragrance field, iii) a standard mixture of 37 fatty acid methyl esters, iv) the peppermint essential oil, v) two mixtures of sesquiterpenic alcohols (farnesols and santalols), and vi) a standard mixture of 16 pesticides. These test samples were also used to demonstrate the complementarity of the two phosphonium-based IL SPs in terms of selectivity and retention.


Subject(s)
Biological Products , Ionic Liquids , Perfume , Chromatography, Gas , Odorants/analysis , Perfume/analysis
17.
J Sep Sci ; 45(1): 94-112, 2022 Jan.
Article in English | MEDLINE | ID: mdl-34897986

ABSTRACT

This review is an overview of the recent advances of gas chromatography in essential oil analysis; in particular, it focuses on both the new stationary phases and the advanced analytical methods and instrumentations. A paragraph is dedicated to ionic liquids as gas chromatography stationary phases, showing that, thanks to their peculiar selectivity, they can offer a complementary contribution to conventional stationary phases for the analysis of complex essential oils and the separation of critical pairs of components. Strategies to speed-up the analysis time, thus answering to the ever increasing request for routine essential oils quality control, are also discussed. Last but not least, a paragraph is dedicated to recent developments in column miniaturization in particular that based on microelectromechanical-system technology in a perspective of developing micro-gas chromatographic systems to optimize the energy consumption as well as the instrumentation dimensions. A number of applications in the essential oil field is also included.


Subject(s)
Chromatography, Gas/methods , Oils, Volatile/chemistry , Plant Oils/chemistry , Chromatography, Gas/instrumentation , Chromatography, Gas/trends , Ionic Liquids/chemistry , Molecular Structure
18.
Molecules ; 26(18)2021 Sep 16.
Article in English | MEDLINE | ID: mdl-34577081

ABSTRACT

The quality control of essential oils (EO) principally aims at revealing the presence of adulterations and at quantifying compounds that are limited by law by evaluating EO chemical compositions, usually in terms of the normalised relative abundance of selected markers, for comparison to reference values reported in pharmacopoeias and/or international norms. Common adulterations of EO consist of the addition of cheaper EO or synthetic materials. This adulteration can be detected by calculating the percent normalised areas of selected markers or the enantiomeric composition of chiral components. The dilution of the EO with vegetable oils is another type of adulteration. This adulteration is quite devious, as it modifies neither the qualitative composition of the resulting EO nor the marker's normalised percentage abundance, which is no longer diagnostic, and an absolute quantitative analysis is required. This study aims at verifying the application of the two above approaches (i.e., normalised relative abundance and absolute quantitation) to detect EO adulterations, with examples involving selected commercial EO (lavender, bergamot and tea tree) adulterated with synthetic components, EO of different origin and lower economical values and heavy vegetable oils. The results show that absolute quantitation is necessary to highlight adulteration with heavy vegetable oils, providing that a reference quantitative profile is available.


Subject(s)
Citrus/chemistry , Lavandula/chemistry , Melaleuca/chemistry , Oils, Volatile/chemistry , Quality Control , Acyclic Monoterpenes/analysis , Drug Contamination , Gas Chromatography-Mass Spectrometry , Isomerism , Monoterpenes/analysis , Oils, Volatile/analysis , Plant Oils/analysis , Plant Oils/chemistry , Reference Standards , Tea Tree Oil/analysis , Tea Tree Oil/chemistry
19.
J Agric Food Chem ; 69(31): 8874-8889, 2021 Aug 11.
Article in English | MEDLINE | ID: mdl-34319731

ABSTRACT

The challenging process of high-quality food authentication takes advantage of highly informative chromatographic fingerprinting and its identitation potential. In this study, the unique chemical traits of the complex volatile fraction of extra-virgin olive oils from Italian production are captured by comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry and explored by pattern recognition algorithms. The consistent realignment of untargeted and targeted features of over 73 samples, including oils obtained by different olive cultivars (n = 24), harvest years (n = 3), and processing technologies, provides a solid foundation for sample identification and discrimination based on production region (n = 6). Through a dedicated multivariate statistics workflow, identitation is achieved by two-level partial least-square (PLS) regression, which highlights region diagnostic patterns accounting between 58 and 82 of untargeted and targeted compounds, while sample classification is performed by sequential application of soft independent modeling for class analogy (SIMCA) models, one for each production region. Samples are correctly classified in five of the six single-class models, and quality parameters [i.e., sensitivity, specificity, precision, efficiency, and area under the receiver operating characteristic curve (AUC)] are equal to 1.00.


Subject(s)
Plant Oils , Gas Chromatography-Mass Spectrometry , Italy , Least-Squares Analysis , Olive Oil/analysis
20.
Plants (Basel) ; 10(5)2021 May 13.
Article in English | MEDLINE | ID: mdl-34068076

ABSTRACT

Excessive melanin production causes serious dermatological conditions as well as minor aesthetic problems (i.e., freckles and solar lentigo). The downregulation of tyrosinase is a widespread approach for the treatment of such disorders, and plant extracts have often proven to be valuable sources of tyrosinase inhibitors. Citral (a mixture of neral and geranial) is an important fragrance ingredient that has shown anti-tyrosinase potential. It is highly concentrated in the essential oils (EOs) of Cymbopogon schoenanthus (L.) Spreng., Litsea cubeba (Lour.) Pers., Melissa officinalis L., and Verbena officinalis L. However, only L. cubeba EO has been investigated for use as a potential skin-whitening agent. This work evaluates the in vitro tyrosinase inhibitory activity of these EOs and studies, using bio-assay oriented fractionation, whether their differing chemical compositions influence the overall EO inhibitory activities via possible synergistic, additive, and/or competitive interactions between EOs components. The inhibitory activity of C. schoenanthus EO and that of M. officinalis EOs, with negligible (+)-citronellal amounts, were in-line with their citral content. On the other hand, L. cubeba and V. officinalis EOs inhibited tyrosinase to considerably greater extents as they contained ß-myrcene, which contributed to the overall EO activities. Similar observations were made for M. officinalis EO, which bears high (+)-citronellal content which increased citral activity.

SELECTION OF CITATIONS
SEARCH DETAIL
...