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Keywords = proton transfer reaction time-of-flight mass spectrometry

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18 pages, 1568 KiB  
Article
Coupling of Temporal-Check-All-That-Apply and Nose-Space Analysis to Investigate the In Vivo Flavor Perception of Extra Virgin Olive Oil and Carriers’ Impact
by Danny Cliceri, Iuliia Khomenko, Franco Biasioli, Flavia Gasperi and Eugenio Aprea
Foods 2025, 14(13), 2343; https://doi.org/10.3390/foods14132343 - 1 Jul 2025
Viewed by 329
Abstract
The perceived quality of extra virgin olive oil (EVOO) arises from the multisensory integration of multimodal stimuli, primarily driven by non-volatile and volatile organic compounds (VOCs). Given that EVOO is frequently consumed in combination with other foods, cross-modal interactions, encompassing both internal and [...] Read more.
The perceived quality of extra virgin olive oil (EVOO) arises from the multisensory integration of multimodal stimuli, primarily driven by non-volatile and volatile organic compounds (VOCs). Given that EVOO is frequently consumed in combination with other foods, cross-modal interactions, encompassing both internal and external elements, play a crucial role in shaping its sensory perception. A more realistic representation of EVOO perception can be achieved by considering these cross-modal effects and their temporal dynamics. This study employed dynamic sensory and instrumental techniques to investigate the product-related mechanisms that influence EVOO flavor perception. Ten trained panelists (mean age = 41.5 years; 50% female) evaluated two EVOO samples under two consumption conditions: alone and accompanied by a solid carrier (bread or chickpeas). Temporal Check-All-That-Apply (TCATA) and nose-space analysis using Proton-Transfer-Reaction Time-of-Flight Mass Spectrometry (PTR-ToF-MS) were conducted simultaneously. Sensory descriptors and mass spectral peaks were analyzed through temporal curve indices (Area Under the Curve, Maximum Citation/Concentration, Time to Maximum), which were then used to construct multi-dimensional sensory and VOC release maps. Findings revealed that the composition and texture of the food carriers had a greater influence on temporal flavor perception than the variability in VOCs released by the different EVOO samples. These results underscore the importance of considering cross-modal sensory interactions when predicting EVOO flavor perception. The carriers modulated both the perception and VOC release, with effects dependent on their specific composition and texture. This methodological approach enabled a deeper understanding of the dynamic relationship between VOC release and EVOO sensory experience. Full article
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20 pages, 3997 KiB  
Article
The Use of Proton-Transfer-Reaction Time-of-Flight Mass Spectrometry (PTR-ToF-MS) to Determine the Volatile Organic Compounds (VOCs) Produced by Different Lactic Acid Bacterial Strains Growing in Defined Media
by Sarathadevi Rajendran, Iuliia Khomenko, Patrick Silcock, Emanuela Betta, Franco Biasioli and Phil Bremer
Appl. Microbiol. 2025, 5(1), 33; https://doi.org/10.3390/applmicrobiol5010033 - 20 Mar 2025
Viewed by 625
Abstract
Lactic acid bacteria (LAB) fermentation has been claimed as an effective way of modifying the sensory properties of plant-based foods. However, not much has been published on the influence of different LAB strains on the flavour of the volatile organic compounds (VOCs) produced. [...] Read more.
Lactic acid bacteria (LAB) fermentation has been claimed as an effective way of modifying the sensory properties of plant-based foods. However, not much has been published on the influence of different LAB strains on the flavour of the volatile organic compounds (VOCs) produced. Using a defined medium (DM) and proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS), we assessed the VOCs produced by seven LAB strains, Levilactobacillus brevis WLP672 (LB672), Lactobacillus delbrueckii WLP677 (LD677), Pediococcus damnosus WLP661 (PD661), Lactiplantibacillus plantarum LP100 (LP100), Pediococcus pentosaceus PP100 (PP100), Pediococcus damnosus 5733 (PD5733), and Lentilactobacillus buchneri 5335 (LU5335), at three time points during fermentation (0, 7, and 14 days) at either 25 or 35 °C. Significant variations in VOC production were observed among LAB strains, growing in the same DM composition at either 25 °C or 35 °C. Specifically, the concentration of m/z 87.043 (t.i. diacetyl) was significantly (p < 0.05) higher at 7 days of fermentation at 35 °C by LP100, followed by PP100 at 35 °C and PD661 at 25 °C compared to the other strains at either 25 or 35 °C. The concentration of m/z 115.112 (t.i. 2-heptanone) was significantly (p < 0.05) higher at 7 days of fermentation at either 25 or 35 °C by LP100 compared to the other strains at all temperature and time points. The concentration of m/z 49.011 (t.i. methanethiol) was significantly (p < 0.05) higher after 7 days of fermentation at 35 °C by LB672 compared to the other strains at either 25 or 35 °C. The concentration of m/z 71.085 (t.i. 3-methyl butanol) was significantly (p < 0.05) higher after 7 days of fermentation at either 25 or 35 °C by PD661, LU5335, or PD5733 compared to the other strains studied. A notable increase in specific VOC concentrations was observed at 35 °C compared to 25 °C. This research demonstrates that LAB strains generate distinct VOC profiles in a DM based on strains and fermentation conditions. Therefore, this knowledge provides a basis for controlling and enhancing flavour in plant-based fermentations. Full article
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11 pages, 953 KiB  
Article
Non-Destructive PTR-ToF-MS Profiling of Red Delicious and Granny Smith Apple Volatilomes During Ripening
by Alessia Panarese, Brian Farneti, Angelo Zanella and Iuliia Khomenko
Agriculture 2025, 15(6), 638; https://doi.org/10.3390/agriculture15060638 - 18 Mar 2025
Viewed by 509
Abstract
The optimal harvest date (OHD) for the long-term storage of apple fruits is of the utmost importance, not only for maintaining high quality levels, but also because the ripening stage, regulated by the autocatalytic activity of the internal ethylene concentration, greatly affects the [...] Read more.
The optimal harvest date (OHD) for the long-term storage of apple fruits is of the utmost importance, not only for maintaining high quality levels, but also because the ripening stage, regulated by the autocatalytic activity of the internal ethylene concentration, greatly affects the VOCs’ synthesis. During apple ripening, chemical compounds undergo changes that affect the fruit’s overall quality, particularly its aromatic profile. Three main classes of organic molecules—aldehydes, alcohols, and esters—play a key role in these modifications. This study investigated the potential of proton transfer reaction time-of-flight mass spectrometry (PTR-ToF-MS) for the rapid, non-destructive monitoring of VOC profiles in ‘Red Delicious’ and ‘Granny Smith’ apples over a 7-week shelf-life period across three harvest dates with different ripening stages. More than 300 mass peaks in the PTR-ToF-MS spectra of the apple headspace were detected. A total of 127 of them were considered to be relevant for further analysis. Furthermore, respiration rate and IAD index were used for the non-destructive assessment of the ripening progress during the 7 weeks of shelf-life and for integrating the VOC results. Full article
(This article belongs to the Section Agricultural Product Quality and Safety)
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19 pages, 927 KiB  
Article
Rapid Profiling of Volatile Organic Compounds Associated with Plant-Based Milks Versus Bovine Milk Using an Integrated PTR-ToF-MS and GC-MS Approach
by Antonia Corvino, Iuliia Khomenko, Emanuela Betta, Federico Ivan Brigante, Luana Bontempo, Franco Biasioli and Vittorio Capozzi
Molecules 2025, 30(4), 761; https://doi.org/10.3390/molecules30040761 - 7 Feb 2025
Cited by 2 | Viewed by 1371
Abstract
The growing demand for plant-based beverages has underscored the importance of investigating their volatile profiles, which play a crucial role in sensory perception and consumer acceptance. This is especially true for plant-based milks (PBMs) that have a clear reference model in bovine milk. [...] Read more.
The growing demand for plant-based beverages has underscored the importance of investigating their volatile profiles, which play a crucial role in sensory perception and consumer acceptance. This is especially true for plant-based milks (PBMs) that have a clear reference model in bovine milk. This study characterises the volatile organic compounds (VOCs) in soy, almond and oat beverages compared to bovine milk using proton transfer reaction-time of flight-mass spectrometry (PTR-ToF-MS) as a rapid and noninvasive screening tool, complemented by gas chromatography-mass spectrometry (GC-MS) for compound identification. A total of 188 mass peaks were detected by PTR-ToF-MS, all showing significant differences from the blank, while GC-MS allowed the identification of 50 compounds, supporting the tentative identifications performed with PTR-MS analysis. In order to facilitate a comparison of different milks, after statistical analysis, these 188 mass peaks were further categorised into two groups: one consisting of VOCs with minimal variability across all samples and another comprising VOCs with significantly different abundances, distinctly characterising each beverage. Principal component analysis revealed a clear separation between bovine milk and PBMs, with almond beverages exhibiting the richest volatilome, while oat beverages displayed a more homogeneous volatile profile. PTR-ToF-MS demonstrated its ability to analyse volatile profiles rapidly, with excellent complementarity to GC-MS in terms of analytical versatility. The results provided a valuable basis for testing new experimental designs aimed to characterise and enhance flavour profiles in plant-based beverages, also after processing, in case of new product development that considers using these milks as raw materials. Full article
(This article belongs to the Special Issue Innovative Analytical Techniques in Food Chemistry)
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14 pages, 1625 KiB  
Article
Characterizing Industrial VOC Hotspots in One of Eastern China’s Largest Petrochemical Parks Using Mobile PTR–ToF–MS Measurements
by Jie Fang, Zihang Zhang, Zeye Liang, Ming Wang, Yunjiang Zhang and Xinlei Ge
Atmosphere 2025, 16(1), 104; https://doi.org/10.3390/atmos16010104 - 18 Jan 2025
Viewed by 1096
Abstract
The industrial emissions of volatile organic compounds (VOCs) are a major contributor to air pollution in urban areas. Previous studies on VOC emissions in industrial zones have primarily relied on in situ monitoring techniques, which pose significant challenges in capturing high emissions peaks [...] Read more.
The industrial emissions of volatile organic compounds (VOCs) are a major contributor to air pollution in urban areas. Previous studies on VOC emissions in industrial zones have primarily relied on in situ monitoring techniques, which pose significant challenges in capturing high emissions peaks and near-source measurements on regional scales. In this study, we employed mobile proton transfer reaction–time-of-flight–mass spectrometry (PTR–ToF–MS) to identify and characterize industrial VOC hotspots in a petrochemical park in eastern China, from June to September 2021. The average total VOC concentrations in the industrial zone were 131.5 ± 227.7 ppbv, approximately 48% higher than those in the background area (88.9 ± 63.3 ppbv), reflecting the substantial emissions from industrial hotspots. Oxygenated VOCs were the most abundant components in the industrial zone (83.2 ppbv). The overall OH reactivity, aerosol formation potential, and lifetime cancer risk of the industrial zone were also substantially higher than those in the background zone. These findings emphasize the need for targeted VOC emissions controls in industrial hotspots to mitigate air quality and health risks. Full article
(This article belongs to the Special Issue Industrial Emissions: Characteristics, Impacts and Control)
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12 pages, 2298 KiB  
Article
PTR-ToF-MS VOC Profiling of Raw and Cooked Gilthead Sea Bream Fillet (Sparus aurata): Effect of Rearing System, Season, and Geographical Origin
by Iuliia Khomenko, Valentina Ting, Fabio Brambilla, Mirco Perbellini, Luca Cappellin and Franco Biasioli
Molecules 2025, 30(2), 402; https://doi.org/10.3390/molecules30020402 - 18 Jan 2025
Viewed by 771
Abstract
This study explores the impact of geographical origin, harvest time, and cooking on the volatile organic compound (VOC) profiles of wild and reared seabream from the Adriatic and Tyrrhenian Seas. A Proton Transfer Reaction–Time of Flight–Mass Spectrometry (PTR-ToF-MS) allowed for VOC profiling with [...] Read more.
This study explores the impact of geographical origin, harvest time, and cooking on the volatile organic compound (VOC) profiles of wild and reared seabream from the Adriatic and Tyrrhenian Seas. A Proton Transfer Reaction–Time of Flight–Mass Spectrometry (PTR-ToF-MS) allowed for VOC profiling with high sensitivity and high throughput. A total of 227 mass peaks were identified. Principal component analysis (PCA) showed a clear separation between cooked and raw samples, with cooking causing a significant increase in 64% of VOCs, especially hydrogen sulphide, methanethiol, and butanal. A two-way ANOVA revealed significant effects of origin, time, and their interaction on VOC concentration, with 102 mass peaks varying significantly based on all three factors. Seasonal effects were also notable, particularly in reared fish from the Adriatic Sea, where compounds like monoterpenes and aromatics were higher during non-breeding months, likely due to environmental factors unique to that area. Differences between wild and reared fish were influenced by lipid content and seasonal changes, impacting the VOC profile of seabream. These findings provide valuable insights into how cooking, geographical origin, and seasonality interact to define the flavour profile of seabream, with potential applications in improving quality control and product differentiation in seafood production. Full article
(This article belongs to the Special Issue Innovative Analytical Techniques in Food Chemistry)
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12 pages, 1729 KiB  
Article
Volatile Component Composition, Retronasal Aroma Release Profile, and Sensory Characteristics of Non-Centrifugal Cane Sugar Obtained at Different Evaporation Temperatures
by Yonathan Asikin, Yuki Nakaza, Moena Oe, Hirotaka Kaneda, Goki Maeda, Kensaku Takara and Koji Wada
Appl. Sci. 2024, 14(24), 11617; https://doi.org/10.3390/app142411617 - 12 Dec 2024
Cited by 2 | Viewed by 1109
Abstract
Non-centrifugal cane sugar (NCS) is prepared by evaporating sugarcane syrup to form a solidified, dehydrated brown sugar with a distinct flavor. This study investigated the effect of final evaporation temperatures (120–140 °C) on the volatile components, retronasal aroma profile, and sensory characteristics of [...] Read more.
Non-centrifugal cane sugar (NCS) is prepared by evaporating sugarcane syrup to form a solidified, dehydrated brown sugar with a distinct flavor. This study investigated the effect of final evaporation temperatures (120–140 °C) on the volatile components, retronasal aroma profile, and sensory characteristics of NCS. Solid-phase microextraction–gas chromatography–mass spectrometry showed that the concentration of most volatiles, including pyrazines, furans, and furanones, in the NCS significantly increased as the evaporation temperature increased (p < 0.05). The evaporation temperature affected the aroma release from NCS, as shown in proton transfer reaction time-of-flight-mass spectrometry, with the intensity of volatile compounds detected from panelists’ noses or mouths significantly increasing after consuming NCS obtained at higher temperatures. Moreover, the intensity of aroma release in the mouth was greater than that in the nose; the most prevalent released substance, m/z 87.10, which could be derived from dihydro-2(3H)-furanone and 2,3-butanedione, rapidly decreased over seven breath cycles compared to other ions, suggesting its importance as a top-note aroma substance in NCS. In addition, the perceived roasted aroma and bitterness of the NCS obtained at higher temperatures were intensified. These findings underscore the importance of modifying the evaporation temperature on the volatile component composition, aroma release, and sensory characteristics of NCS. Full article
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15 pages, 292 KiB  
Article
Exploring the Metabolome and Antimicrobial Properties of Capsicum annuum L. (Baklouti and Paprika) Dried Powders from Tunisia
by Annalisa Serio, Francesca Maggio, Anis Ben Hsouna, Rania Ben Saad, Cosimo Taiti and Stefania Garzoli
Molecules 2024, 29(22), 5236; https://doi.org/10.3390/molecules29225236 - 5 Nov 2024
Cited by 3 | Viewed by 2288
Abstract
In this study, for the first time, the volatile fraction from two domesticated Capsicum annuum accessions (“Paprika” and “Baklouti”) collected in Tunisia was investigated by two complementary analytical techniques, such as Solid-Phase Microextraction–Gas Chromatography/Mass Spectrometry (SPME-GC/MS) and Proton Transfer Reaction–Time-of-Flight–Mass Spectrometry (PTR-ToF-MS). The [...] Read more.
In this study, for the first time, the volatile fraction from two domesticated Capsicum annuum accessions (“Paprika” and “Baklouti”) collected in Tunisia was investigated by two complementary analytical techniques, such as Solid-Phase Microextraction–Gas Chromatography/Mass Spectrometry (SPME-GC/MS) and Proton Transfer Reaction–Time-of-Flight–Mass Spectrometry (PTR-ToF-MS). The obtained results highlighted the presence of a high number of Volatile Organic Compounds (VOCs), including monoterpene and sesquiterpene compounds with α-curcumene, I-zingiberene, β-bisabolene and β-sesquiphellandrene as the major components. In addition, GC/MS was used to investigate the non-volatile chemical composition of the dried powders and their extracts, which were found to be rich in sulfur compounds, fatty acids and sugars. Eleven bacterial strains were chosen to assess the antimicrobial effectiveness of the extracts. The results showed that the extracts exhibited strain-dependent behavior, and the type strains displayed a greater susceptibility to the treatments, if compared to the wild strains, and, in particular, showed the best antimicrobial activity against Gram-positive bacteria, such as Listeria monocytogenes and Staphylococcus aureus. Full article
18 pages, 2504 KiB  
Article
Characteristics and Source Profiles of Volatile Organic Compounds (VOCs) by Several Business Types in an Industrial Complex Using a Proton-Transfer-Reaction Time-of-Flight Mass Spectrometry (PTR-ToF-MS)
by Kyoung-Chan Kim, Byeong-Hun Oh, Jeong-Deok Baek, Chun-Sang Lee, Yong-Jae Lim, Hung-Soo Joo and Jin-Seok Han
Atmosphere 2024, 15(10), 1156; https://doi.org/10.3390/atmos15101156 - 27 Sep 2024
Cited by 2 | Viewed by 2515
Abstract
Volatile organic compounds (VOCs) are one of significant contributors to air pollution and have profound effects on human health and the environment. This study introduces a detailed analysis of VOC emissions from various industries within an industrial complex using a high-resolution measurement instrument. [...] Read more.
Volatile organic compounds (VOCs) are one of significant contributors to air pollution and have profound effects on human health and the environment. This study introduces a detailed analysis of VOC emissions from various industries within an industrial complex using a high-resolution measurement instrument. This study aimed to identify the VOC profiles and their concentrations across 12 industries. Sampling was conducted across 99 facilities in an industrial complex in South Korea, and VOC analysis was performed based on measurement data using a Proton-Transfer-Reaction Time-of-Flight Mass Spectrometry (PTR-ToF-MS). The results indicated that the emission of oxygenated VOCs (OVOCs) was dominant in most industries. Aromatic hydrocarbons were also dominant in most industries, except in screen printing (SP), lubricating oil and grease manufacturing (LOG), and industrial laundry services (ILS) industries. Chlorinated VOCs (Cl-VOCs) showed a relatively higher level in the metal plating (MP) industry than those in other industries and nitrogen-containing VOCs (N-VOCs) showed high levels in general paints and similar product manufacturing (PNT), MP, and ILS industries, respectively. The gravure printing industry was identified as the highest emitter of VOCs, with the highest daily emissions reaching 5934 mg day−1, primarily consisting of ethyl acetate, toluene, butyl acetate, and propene. The findings suggest that the VOC emissions from the gravure printing and plastic synthetic leather industries should be primarily reduced, and it would be the most cost-effective approach to improving air quality. This study can provide the fundamental data for developing effective reduction technologies and policies of VOC, ultimately contributing to enhanced atmospheric models and regulatory measures. Full article
(This article belongs to the Special Issue Novel Insights into Air Pollution over East Asia (Second Edition))
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27 pages, 28534 KiB  
Article
GIS-Based Analysis of Volatile Organic Compounds in Bucheon, Korea, Using Mobile Laboratory and Proton-Transfer-Reaction Time-of-Flight Mass Spectrometry Methods
by Minkyeong Kim, Daeho Kim, Jung-Young Seo and Duckshin Park
Toxics 2024, 12(7), 511; https://doi.org/10.3390/toxics12070511 - 15 Jul 2024
Cited by 1 | Viewed by 1659
Abstract
Recently, volatile organic compounds (VOCs) have been shown to act as precursors of secondary organic particles that react with ultraviolet rays in the atmosphere and contribute to photochemical smog, global warming, odor, and human health risks, highlighting the importance of VOC management. In [...] Read more.
Recently, volatile organic compounds (VOCs) have been shown to act as precursors of secondary organic particles that react with ultraviolet rays in the atmosphere and contribute to photochemical smog, global warming, odor, and human health risks, highlighting the importance of VOC management. In this study, we measured VOC concentrations in various contexts including industrial and residential areas of Bucheon, Korea, through mobile laboratory and proton-transfer-reaction time-of-flight mass spectrometry methods to determine winter VOC concentrations and visualized the data based on spatial information. Regional characteristics, temperature/humidity, atmospheric conditions, wind speed, traffic volume, etc., during the measurement period of the study site were comprehensively reviewed. For this purpose, global information system (GIS)-based air quality data and various environmental variables were comprehensively reviewed to assess spatial and temporal concentrations in three dimensions rather than in tables and graphs. Among VOCs, the levels of toluene, methanol, and n + i-butene were relatively high, with average concentrations of 48.3 ± 67.2, 34.4 ± 102.7, and 32.6 ± 57.7 ppb, respectively, at the end of the working day. The highest concentrations occurred near the Ojeong Industrial Complex. Mobile pollution sources are also a major driver of VOCs, highlighting the necessity of comprehensively reviewing traffic variables such as road level, estimated traffic volume, and average speed when identifying hotspots of air pollution. GIS-based visualization analysis techniques will improve the efficiency of air quality management. Full article
(This article belongs to the Section Air Pollution and Health)
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20 pages, 2676 KiB  
Article
Impact of Different Carbon Sources on Volatile Organic Compounds (VOCs) Produced during Fermentation by Levilactobacillus brevis WLP672 Measured Using Proton Transfer Reaction Time-of-Flight Mass Spectrometry (PTR-ToF-MS)
by Sarathadevi Rajendran, Iuliia Khomenko, Patrick Silcock, Emanuela Betta, Franco Biasioli and Phil Bremer
Molecules 2024, 29(14), 3275; https://doi.org/10.3390/molecules29143275 - 11 Jul 2024
Cited by 2 | Viewed by 1768
Abstract
Bacterial fermentation is considered to be a cost-effective means of generating desired flavour compounds from plant-based substrates. However, the wide range of substrates present in plants makes it challenging to understand how individual components impact on flavour volatile organic compound (VOC) production. To [...] Read more.
Bacterial fermentation is considered to be a cost-effective means of generating desired flavour compounds from plant-based substrates. However, the wide range of substrates present in plants makes it challenging to understand how individual components impact on flavour volatile organic compound (VOC) production. To simplify this, a defined medium can be used to better understand VOCs production with regard to individual compounds. In the current study, the VOCs produced by the lactic acid bacterium, Levilactobacillus brevis WLP672, growing in a defined medium containing different carbon sources (either glucose (DM), fructose (DMFr) or citrate (DMCi)) under a range of fermentation conditions (time: 0, 7, and 14 days; and temperature: 25 and 35 °C) were assessed using proton transfer reaction time-of-flight mass spectrometry (PTR-ToF-MS). Among the detected mass peaks (m/z), after 7 days of fermentation, the concentrations of m/z 45.033 (t.i. acetaldehyde), m/z 49.011 (t.i. methanethiol), and m/z 89.060 (t.i. ethyl acetate) were significantly (p < 0.05) higher in DM at 35 °C than all other treatments at either temperature. The knowledge obtained will help to produce desirable LAB fermentation flavour VOCs or VOC mixtures that could be used in developing plant-based analogues with acceptable sensory properties. Full article
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18 pages, 8740 KiB  
Article
The Effect of Different Medium Compositions and LAB Strains on Fermentation Volatile Organic Compounds (VOCs) Analysed by Proton Transfer Reaction-Time of Flight-Mass Spectrometry (PTR-ToF-MS)
by Sarathadevi Rajendran, Iuliia Khomenko, Patrick Silcock, Emanuela Betta, Michele Pedrotti, Franco Biasioli and Phil Bremer
Fermentation 2024, 10(6), 317; https://doi.org/10.3390/fermentation10060317 - 15 Jun 2024
Cited by 3 | Viewed by 2318
Abstract
Lactic acid bacteria (LAB) fermentation is a viable approach for producing plant-based flavour compounds; however, little is understood about the impact of different LAB strains and medium compositions on the production of volatile organic compounds (VOCs). This study investigated the impact of the [...] Read more.
Lactic acid bacteria (LAB) fermentation is a viable approach for producing plant-based flavour compounds; however, little is understood about the impact of different LAB strains and medium compositions on the production of volatile organic compounds (VOCs). This study investigated the impact of the addition of individual amino acids (AAs) (L-leucine, L-isoleucine, L-phenylalanine, L-glutamic acid, L-aspartic acid, L-threonine, or L-methionine) to a defined medium (DM) on the generation of VOCs (after 0, 7, and 14 days) by one of three LAB strains (Levilactobacillus brevis WLP672 (LB672), Lactiplantibacillus plantarum LP100 (LP100), and Pediococcus pentosaceus PP100 (PP100)), using proton transfer reaction-time of flight-mass spectrometry (PTR-ToF-MS). The concentration of m/z 45.031 (t.i. acetaldehyde) was significantly (p < 0.05) higher after 7 days of fermentation by LP100 in the DM supplemented with threonine compared to all other media fermented by all three strains. The concentrations of m/z 49.012 (t.i. methanethiol) and m/z 95.000 (t.i. dimethyl disulfide) were significantly (p < 0.05) higher after 7 days of fermentation by either LP100, PP100, or LB672 in the DM supplemented with methionine compared to all other media. Information on the role of individual AAs on VOCs generation by different LAB strains will help to guide flavour development from the fermentation of plant-based substrates. Full article
(This article belongs to the Special Issue Fermentation: 10th Anniversary)
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16 pages, 1177 KiB  
Article
Effects of Contagious Respiratory Pathogens on Breath Biomarkers
by Nele Kemnitz, Patricia Fuchs, Rasmus Remy, Leo Ruehrmund, Julia Bartels, Ann-Christin Klemenz, Phillip Trefz, Wolfram Miekisch, Jochen K. Schubert and Pritam Sukul
Antioxidants 2024, 13(2), 172; https://doi.org/10.3390/antiox13020172 - 29 Jan 2024
Cited by 3 | Viewed by 2747
Abstract
Due to their immediate exhalation after generation at the cellular/microbiome levels, exhaled volatile organic compounds (VOCs) may provide real-time information on pathophysiological mechanisms and the host response to infection. In recent years, the metabolic profiling of the most frequent respiratory infections has gained [...] Read more.
Due to their immediate exhalation after generation at the cellular/microbiome levels, exhaled volatile organic compounds (VOCs) may provide real-time information on pathophysiological mechanisms and the host response to infection. In recent years, the metabolic profiling of the most frequent respiratory infections has gained interest as it holds potential for the early, non-invasive detection of pathogens and the monitoring of disease progression and the response to therapy. Using previously unpublished data, randomly selected individuals from a COVID-19 test center were included in the study. Based on multiplex PCR results (non-SARS-CoV-2 respiratory pathogens), the breath profiles of 479 subjects with the presence or absence of flu-like symptoms were obtained using proton-transfer-reaction time-of-flight mass spectrometry. Among 223 individuals, one respiratory pathogen was detected in 171 cases, and more than one pathogen in 52 cases. A total of 256 subjects had negative PCR test results and had no symptoms. The exhaled VOC profiles were affected by the presence of Haemophilus influenzae, Streptococcus pneumoniae, and Rhinovirus. The endogenous ketone, short-chain fatty acid, organosulfur, aldehyde, and terpene concentrations changed, but only a few compounds exhibited concentration changes above inter-individual physiological variations. Based on the VOC origins, the observed concentration changes may be attributed to oxidative stress and antioxidative defense, energy metabolism, systemic microbial immune homeostasis, and inflammation. In contrast to previous studies with pre-selected patient groups, the results of this study demonstrate the broad inter-individual variations in VOC profiles in real-life screening conditions. As no unique infection markers exist, only concentration changes clearly above the mentioned variations can be regarded as indicative of infection or colonization. Full article
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22 pages, 4347 KiB  
Article
Identification of Volatile Molecules and Bioactivity of Gruyt Craft Beer Enriched with Citrus aurantium var. dulcis L. Essential Oil
by Cosimo Taiti, Antonella Di Sotto, Giovanni Stefano, Ester Percaccio, Matteo Iannone, Andrea Marianelli and Stefania Garzoli
Int. J. Mol. Sci. 2024, 25(1), 350; https://doi.org/10.3390/ijms25010350 - 26 Dec 2023
Cited by 1 | Viewed by 2309
Abstract
In this work, for the first time, a gruyt beer and the same one after the addition of Citrus aurantium essential oil (AEO), were investigated to determine the composition of the volatile fraction. The applied analytical techniques, such as Head Space/Solid Phase Microextraction-Gas [...] Read more.
In this work, for the first time, a gruyt beer and the same one after the addition of Citrus aurantium essential oil (AEO), were investigated to determine the composition of the volatile fraction. The applied analytical techniques, such as Head Space/Solid Phase Microextraction-Gas Chromatography-Mass Spectrometry (HS/SPME-GC-MS) and Proton Transfer Reaction-Time of Flight-Mass Spectrometer (PTR-ToF-MS), allowed us to identify the content of volatile organic compounds (VOCs). From the comparison between the two beer samples, it showed that the one after the addition of AEO was particularly richened in limonene and a series of minor terpene compounds. AEO was also characterized by GC/MS analysis and the results showed that limonene reached 95%. Confocal microscopy was used to look at riboflavin autofluorescence in yeast cells. It was found that beer with AEO had twice as much fluorescence intensity as the control. A spectrophotometric analysis of total polyphenols, tannins, and flavonoids, and a bioactivity screening, including 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-Azinobis-(3-Ethylbenzthiazolin-6-Sulfonic Acid) (ABTS) radical scavenger, chelating, reducing, antiglycative ones, were also carried out. Moreover, the tolerability of the tested samples in human H69 cholangiocytes and the cytoprotection towards the tert-butyl hydroperoxide (tBOOH)-induced oxidative damage were evaluated. Under our experimental conditions, the beers were found to be able to scavenge DPPH and ABTS radicals and chelate iron ions, despite weak antiglycative and reducing properties. The tested samples did not affect the viability of H69 cholangiocytes up to the highest concentrations; moreover, no signs of cytoprotection against the damage induced by tBOOH were highlighted. Adding AEO to beer resulted in a moderate enhancement of its DPPH scavenging and chelating abilities, without improvements in the other assays. Conversely, AEO and its major compound limonene were ineffective when assessed at the concentrations added to beer. This evidence suggests that the addition of AEO may enhance the organoleptic features of the beer and slightly potentiate some of its bioactivities. Full article
(This article belongs to the Special Issue Investigation of Natural Products as Sources of Bioactive Molecules)
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Article
Examination of Volatile Signatures of Fusarium Bulb Rot in Garlic Using Proton-Transfer-Reaction Time-of-Flight Mass Spectrometry and Solid-Phase Microextraction Gas Chromatography/Mass Spectrometry
by Alessandro Infantino, Cosimo Taiti, Alessandro Grottoli, Stefano Mancuso, Corrado Costa and Stefania Garzoli
Separations 2023, 10(11), 556; https://doi.org/10.3390/separations10110556 - 31 Oct 2023
Cited by 2 | Viewed by 2203
Abstract
Fusarium bulb rot, caused by Fusarium proliferatum, is a worldwide disease of garlic, both in the open field and during storage. Early diagnosis of the disease during storage is difficult due to the morphology of the bulbs and cloves. Volatile organic compounds [...] Read more.
Fusarium bulb rot, caused by Fusarium proliferatum, is a worldwide disease of garlic, both in the open field and during storage. Early diagnosis of the disease during storage is difficult due to the morphology of the bulbs and cloves. Volatile organic compounds (VOCs) are secondary metabolites produced by several microorganisms, including phytopathogenic fungi and bacteria. In recent years, the development of several techniques for the detection and characterization of VOCs has prompted their use, among others, as a diagnostic tool for the early and non-destructive analysis of many diseases of species of agricultural interest. In this paper, proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS) and solid-phase microextraction gas chromatography/mass spectrometry (SPME-GC/MS) were successfully utilized to characterize the volatolome of commercial garlic cloves, artificially and naturally infected with F. proliferatum, for the early discrimination between diseased and healthy ones. A partial least squares discriminant analysis (PLSDA) and a principal component analysis (PCA) allowed for the separation of infected and healthy cloves and the identification of specific VOCs produced by the fungus during the infection. The results obtained in this work could be utilized for the development of simpler, more economical, and more portable devices for the early detection of infected garlic bulbs during storage. Full article
(This article belongs to the Special Issue Application of Chromatography in Analytical Chemistry)
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