Research

19 pages, 3224 KiB

Open AccessArticle

HS-SPME-GC/MS Metabolomic Analysis for the Comparative Evaluation between a Plum–Apricot Hybrid and Its Parents

by Anna Lante, Dasha Mihaylova, Ivayla Dincheva and Aneta Popova

Chemosensors 2024, 12(4), 50; https://doi.org/10.3390/chemosensors12040050 - 27 Mar 2024

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The “Stendesto” plumcot is the only successful Bulgarian plum–apricot hybrid having the “Modesto” apricot and the “Stanley” plum as parents. The current study reports on the metabolites and volatile organic compounds (VOCs) discovered in the three fruits. Forty-one metabolites in total, as represented [...] Read more.

The “Stendesto” plumcot is the only successful Bulgarian plum–apricot hybrid having the “Modesto” apricot and the “Stanley” plum as parents. The current study reports on the metabolites and volatile organic compounds (VOCs) discovered in the three fruits. Forty-one metabolites in total, as represented by amino acids, organic acids, sugar acids and alcohols, phenolic acids, fatty acids, mono- and di-saccharides, and sterols, were identified in the samples. Additionally, sixty-five VOCs were profiled using the gas chromatography/mass spectrometry (GC/MS) analysis and HS-SPME technique. Among these VOCs, alcohols, aldehydes, esters, ketones, lactones, terpenoids, and benzene derivatives were the existing chemical classes. Not all metabolites were present in both apricot and plum, but the hybrid had managed to inherit all of the identified metabolites with the exception of γ-aminobutyric acid. This study is a first on the topic of plumcot fruit evaluation referencing its parental lines. Principal component (PCA) and hierarchical cluster (HCA) analyses further aided in revealing the differences and similarities between the “Stendesto” plum–apricot hybrid and its parents. Full article

(This article belongs to the Special Issue The Second Edition of GC, MS and GC-MS Analytical Methods: Opportunities and Challenges)

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26 pages, 2041 KiB

Open AccessArticle

Gas and Liquid Chromatography Mass Spectrometry as a Tool for Elucidating Volatile Organic Compounds (VOCs) and Metabolites in Maternal Milk: A Perspective on Infants’ Health Risk Assessment

by Evangelia N. Tzanetou, Electra Manea-Karga, Eirini Baira, Theodora Boutsikou, Zoi Iliodromiti, Nicoletta Iacovidou, Kyriaki Machera and Konstantinos M. Kasiotis

Chemosensors 2024, 12(3), 30; https://doi.org/10.3390/chemosensors12030030 - 21 Feb 2024

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Abstract

Maternal milk is pivotal for infants’ nutrition. It also portrays the chemical burden to which the mother has been exposed. One of the chemical families that is prevalent and related to potential toxic effects are volatile organic compounds (VOCs). In the present study, [...] Read more.

Maternal milk is pivotal for infants’ nutrition. It also portrays the chemical burden to which the mother has been exposed. One of the chemical families that is prevalent and related to potential toxic effects are volatile organic compounds (VOCs). In the present study, motivated by the scarcity of works dealing with concomitant VOC and metabolite determination in maternal milk, two new gas/liquid chromatography tandem mass spectrometry (GC-MS/MS, LC-MS/MS) methods for the simultaneous measurement of 25 VOCs and 9 of their metabolites, respectively, in maternal milk were developed and applied to 20 maternal milk samples collected from mothers in Greece. In parallel, a headspace solid-phase microextraction (HS-SPME)–GC-MS method was employed for the untargeted screening of chemicals. Low detection rates for benzene, toluene, styrene and p,m-xylenes, and three of their metabolites, namely N-acetyl-S-(benzyl)-L-cysteine (BMA, metabolite of toluene), 3-methylhippuric (3-MHA, metabolite of xylenes) and mandelic acid (MA as DL and R isomers, metabolites of styrene and ethylbenzene), were evidenced in concentrations varying from <lower limit of quantification (LLOQ) to 0.79 ng mL⁻¹. HS-SPME–GC-MS disclosed the presence of common maternal milk constituents such as fatty acids. Nevertheless, bisphenol-A, bisphenol derivatives and phthalates were also detected. The infants’ health risk assessment demonstrated a low risk and negligible carcinogenic risk, yet the detection of these compounds should not be underestimated. Full article

(This article belongs to the Special Issue The Second Edition of GC, MS and GC-MS Analytical Methods: Opportunities and Challenges)

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12 pages, 1153 KiB

Open AccessArticle

Determination of Phenethyl Isothiocyanate, Erucin, Iberverin, and Erucin Nitrile Concentrations in Healthy and Pieris rapae-Infected Broccoli Tissues Using Gas Chromatography-Mass Spectrometry

by Irene-Dimitra Mesimeri, Panagiota-Kyriaki Revelou, Violetta Constantinou-Kokotou and Maroula G. Kokotou

Chemosensors 2024, 12(1), 16; https://doi.org/10.3390/chemosensors12010016 - 22 Jan 2024

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Abstract

Cruciferous vegetables (Brassicaceae family) are a rich source of phytochemicals, in particular glucosinolates (GLS) and their hydrolysis products, isothiocyanates and nitriles. These phytochemicals may act as chemosensors, attracting insects, such as Pieris rapae, and stimulating oviposition. There is a lack of information [...] Read more.

Cruciferous vegetables (Brassicaceae family) are a rich source of phytochemicals, in particular glucosinolates (GLS) and their hydrolysis products, isothiocyanates and nitriles. These phytochemicals may act as chemosensors, attracting insects, such as Pieris rapae, and stimulating oviposition. There is a lack of information on the concentrations of isothiocyanates and nitriles when an insect affects a Brassicaceae plant. In the current study, some GLS hydrolysis products were determined in healthy and Pieris rapae-infected organic cultivated broccoli plants, as well as the infesting insects’ larvae, using gas chromatography-mass spectrometry (GC-MS). This study investigated the following phytochemicals: phenethyl isothiocyanate (PEITC), erucin (ER), 3-(methylthio)propyl isothiocyanate (3MIC), and 1-cyano-4-(methylthio)butane (5MITN). All these components were quantified in the aerial and underground parts of the plants and were found in high concentrations in the roots. Among the phytochemicals studied, 5MITN presented the highest concentration in all the broccoli samples but was especially high in the stalks of the infected plants. Moreover, the analysis of a sample of Pieris rapae larvae, fed from the hosted broccoli, revealed the presence of PEITC and ER. These findings indicate that the infestation of broccoli with Pieris rapae may affect the distribution of PEITC, ER, 3MIC, and 5MITN throughout the plant. An extension of our study to conventional cultivated broccoli showed that the roots are indeed rich in GLS hydrolysis products. Full article

(This article belongs to the Special Issue The Second Edition of GC, MS and GC-MS Analytical Methods: Opportunities and Challenges)

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18 pages, 1436 KiB

Open AccessArticle

Evaluation of the Essential Oil Composition of Five Thymus Species Native to Greece

by Eleni Kakouri, Dimitra Daferera, Anastasia Andriopoulou, Panayiotis Trigas and Petros A. Tarantilis

Chemosensors 2024, 12(1), 7; https://doi.org/10.3390/chemosensors12010007 - 31 Dec 2023

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Abstract

The genus Thymus encompasses a wide array of taxa, many of which remain underexplored in terms of their phytochemical profile. In this study, we investigated the phytochemical composition of volatile compounds of five Thymus species native to Greece using gas chromatography combined with [...] Read more.

The genus Thymus encompasses a wide array of taxa, many of which remain underexplored in terms of their phytochemical profile. In this study, we investigated the phytochemical composition of volatile compounds of five Thymus species native to Greece using gas chromatography combined with mass spectrometry. Two samples of T. parnassicus collected from Mts Parnitha and Parnassos were studied. The predominant compounds in the Parnitha sample were α-cadinol (13.53%), E-caryophyllene (11.83%) and selin-11-en-4α-ol (7.29%). The sample from Mt. Parnassos exhibited a high concentration of E-caryophyllene (35.20%) followed by β-bisabolene (10.41%). Additionally, two species, namely T. leucotrichus subsp. leucotrichus and T. atticus, were collected on Mt. Chelmos (Peloponnese). The essential oil of T. leucotrichus was rich in elemol (35.56%), α-eudesmol (11.15%) and β-eudesmol (6.11%). Thymus atticus exhibited a high concentration in linalool (63.04%) and p-cymene (25.63%). In addition, two samples of T. holosericeus collected from Kefalonia Ιsland were both rich in geraniol (89.9% and 87.7%, respectively). We also examined the volatile profile of T. laconicus, a local endemic species of SE Peloponnese (Lakonia area), which remains unexplored. Carvacrol (32.7%) and p-cymene (29.7%) were identified as the dominant compounds. Our study contributes valuable insights into the chemical profile of Thymus spp. and sheds further light on the well-known chemical polymorphism within this genus. Full article

(This article belongs to the Special Issue The Second Edition of GC, MS and GC-MS Analytical Methods: Opportunities and Challenges)

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23 pages, 2653 KiB

Open AccessArticle

Modifying Headspace Sampling Environment Improves Detection of Boar Taint Compounds in Pork Fat Samples

by Clément Burgeon, Alice Markey, Yves Brostaux and Marie-Laure Fauconnier

Chemosensors 2023, 11(11), 551; https://doi.org/10.3390/chemosensors11110551 - 28 Oct 2023

Viewed by 1075

Abstract

The extraction of boar taint compounds from pork fat samples was performed under various temperature (150, 300 and 450 °C) and atmosphere (air, nitrogen and reduced pressure) conditions. This aimed at understanding which conditions allow the greatest extractions of indole, skatole and androstenone [...] Read more.

The extraction of boar taint compounds from pork fat samples was performed under various temperature (150, 300 and 450 °C) and atmosphere (air, nitrogen and reduced pressure) conditions. This aimed at understanding which conditions allow the greatest extractions of indole, skatole and androstenone (present in backfat in low concentrations) while limiting the presence of other VOCs in the headspace of heated fat (interfering with correct VOC-based detection of boar taint compounds). Indole and skatole were extracted in the greatest concentrations when heating backfat at 450 °C under reduced pressure, while androstenone was highest when heating at 300 °C under reduced pressure. Oxidation products were most abundant under air conditions, nitrogenated products appeared in the presence of a nitrogen-enriched atmosphere, and lastly, molecules intrinsic to boar fat saw their headspace concentration increase with reduced pressure. The combination of 450 °C and reduced pressure atmosphere was suggested for the heating of backfat prior to detection with analytical methods and to complement the current sensory analysis. Full article

(This article belongs to the Special Issue The Second Edition of GC, MS and GC-MS Analytical Methods: Opportunities and Challenges)

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22 pages, 1778 KiB

Open AccessArticle

Solid-Phase Extraction Followed by Gas Chromatography–Mass Spectrometry for Revealing the Effects of the Application of Bentonite, Tannins, and Their Combination during Fermentation in the Production of White Wine

by Igor Lukić, Ivana Horvat, Sanja Radeka and Urska Vrhovsek

Chemosensors 2023, 11(10), 545; https://doi.org/10.3390/chemosensors11100545 - 21 Oct 2023

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Abstract

To investigate the effects of the application of bentonite, tannins, and their combination in alcoholic fermentation, Malvazija istarska (Vitis vinifera L.) white grape must was treated with 95 g/L of bentonite, 25 g/L of a hydrolysable tannin preparation, while the third treatment [...] Read more.

To investigate the effects of the application of bentonite, tannins, and their combination in alcoholic fermentation, Malvazija istarska (Vitis vinifera L.) white grape must was treated with 95 g/L of bentonite, 25 g/L of a hydrolysable tannin preparation, while the third treatment received the aforementioned doses of both agents. Control grape must was fermented without bentonite and exogenous tannins. All of the produced wines were additionally fined after fermentation with doses of bentonite needed to achieve complete protein stability. Wines were analyzed both after fermentation and after additional bentonite fining. Standard physicochemical parameters were determined by the OIV methods, and phenols were analyzed by high-performance liquid chromatography with diode-array detection (HPLC-DAD), while the concentrations of free and bound volatile aroma compounds were obtained after solid-phase extraction (SPE) followed by gas chromatography–mass spectrometry (GC-MS). Bentonite and tannins in fermentation generally reduced the total dose of bentonite needed for complete stabilization. Treatments with bentonite slightly decreased the concentration of total dry extract, while tannins preserved total acidity. The negative effect of bentonite on flavonoids was more severe. Tannins in fermentation preserved more hydroxycinnamoyltartaric acids with respect to control wine, and this effect was additionally enhanced by bentonite. Volatile and bound aroma composition was affected by all the treatments, while the addition of tannins resulted in higher concentrations of several important odoriferous esters, such as ethyl hexanoate, ethyl decanoate, and hexyl acetate. Additional fining with bentonite to complete protein stabilization annulled some of the positive effects observed after fermentation. Full article

(This article belongs to the Special Issue The Second Edition of GC, MS and GC-MS Analytical Methods: Opportunities and Challenges)

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15 pages, 3869 KiB

Open AccessArticle

Method Comparison for the Identification and Characterization of Odorants from Scots Pine (Pinus sylvestris L.) and Oriented Strand Boards (OSB) Made Thereof by GC-MS and GC-FID/O Using Different Headspace Techniques

by Valentin Schierer, Cornelia Rieder-Gradinger and Erwin Rosenberg

Chemosensors 2023, 11(10), 543; https://doi.org/10.3390/chemosensors11100543 - 19 Oct 2023

Viewed by 1406

Abstract

Volatile organic compounds (VOCs) from wood and wood composites are important contributors to odor profiles of indoor environments and can significantly influence human health and well-being. GC-MS/FID and gas chromatography (GC) with olfactometric detection (GC-O) are employed for the identification and characterization of [...] Read more.

Volatile organic compounds (VOCs) from wood and wood composites are important contributors to odor profiles of indoor environments and can significantly influence human health and well-being. GC-MS/FID and gas chromatography (GC) with olfactometric detection (GC-O) are employed for the identification and characterization of odorants. Four different sample preparation methods are evaluated on wood strands and isocyanate adhesive–based oriented strand boards (OSBs) made from Pinus sylvestris L.: among these, dynamic headspace extraction thermal desorption ((dynamic) HS-TD), head space solid phase microextraction (HS-SPME), head space solid phase microextraction Arrow (HS-SPME Arrow), and liquid injection of a CH₂Cl₂ solvent extract. The olfactometric investigation revealed over 30 odor-active substances of cyclic and acyclic monoterpene, monoterpenoid ketone, monoterpenoid aldehyde, monoterpenoid alcohol, monoterpenoid ester, aliphatic aldehyde, alcohol, and acid and phenolic chemistry. Compared to liquid injection, (dynamic) HS-TD was found to result in a similar number of odorants (20 vs. 24), whereas HS SPME Arrow shows good performance with minimal instrumental effort, notably for monoterpene and aldehyde compounds. Native wood vs. OSB showed high concentrations of saturated and unsaturated aldehydes for the wood board sample. These findings demonstrate the capability of headspace methods for odorant detection and their suitability for standardization towards a database for wood and wood composites. Full article

(This article belongs to the Special Issue The Second Edition of GC, MS and GC-MS Analytical Methods: Opportunities and Challenges)

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13 pages, 3838 KiB

Open AccessArticle

Solid-Phase Microextraction (SPME) and Gas Chromatographic/Mass Spectrometry in Chronic Obstructive Pulmonary Disease (COPD): A Chemometric Approach

by Loukia Lypirou, Christos Chronis, Konstantinos Exarchos, Konstantinos Kostikas and Vasilios Sakkas

Chemosensors 2023, 11(10), 542; https://doi.org/10.3390/chemosensors11100542 - 18 Oct 2023

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Abstract

Chronic Obstructive Pulmonary Disease (COPD) is a chronic respiratory condition that often goes undiagnosed despite the availability of spirometry for diagnosis, and its exact prevalence remains uncertain. Exhaled breath has been proposed as a source of relevant health information, particularly Volatile Organic Compounds [...] Read more.

Chronic Obstructive Pulmonary Disease (COPD) is a chronic respiratory condition that often goes undiagnosed despite the availability of spirometry for diagnosis, and its exact prevalence remains uncertain. Exhaled breath has been proposed as a source of relevant health information, particularly Volatile Organic Compounds (VOCs), which can be easily obtained and applied in clinical practice. In this study, exhaled breath samples were collected from patients diagnosed with COPD of varying severity during their stable condition using specialized RTubeVOC tubes. Volatile compounds from the air samples were extracted using a 50/30 µm divinylbenzene/carboxen/polydimethylsiloxane (DVB/CAR/PDMS) fiber and the analysis was performed using gas chromatography/mass spectrometry (GC/MS) technique. The patients were divided into two groups based on their history of exacerbations, and the aim was to identify VOCs associated with the risk of future COPD exacerbation, thus allowing for more personalized and objective COPD treatment. Blood eosinophil content was also taken into consideration. A panel of distinguishing mass-spectral features was identified between the two patient groups. The discriminating exhaled molecules were heptane 2,2,4,6,6-pentamethyl, gamma-terpinene, 2-ethylhexanol, and undecane demonstrating the potential of analyzing VOCs in exhaled breath for the detection and management of COPD, offering a promising avenue to improve COPD management and treatment approaches. Full article

(This article belongs to the Special Issue The Second Edition of GC, MS and GC-MS Analytical Methods: Opportunities and Challenges)

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