Search Results (30)

Background: Asthma and chronic obstructive pulmonary disease (COPD) are prevalent obstructive lung diseases with distinct inflammatory pathways but overlapping clinical features. Bronchodilator responsiveness (BDR) is a key diagnostic criterion, yet its metabolic determinants are poorly understood. Objective: This cross-sectional study investigated whether integrated profiling of exhaled volatile organic compounds (VOCs) and clinical biomarkers can differentiate BA, COPD, and health, and predict BDR. Methods: Exhaled breath from 160 BA patients, 128 COPD patients, and 254 healthy controls was analyzed in real-time using proton-transfer reaction time-of-flight mass spectrometry (PTR-TOF-MS) during tidal and forced expiration. Clinical assessment included spirometry, fractional exhaled nitric oxide (FeNO), blood eosinophil count, and total IgE. Machine-learning (XGBoost) was employed for feature selection and model development. Results: Distinct VOC signatures effectively discriminated disease groups from controls and from each other. The model for distinguishing asthma from healthy controls achieved an AUC of 0.747 during normal quiet breathing and 0.710 during forced exhale. For discriminating COPD from healthy controls, the model performance was higher, with an AUC of 0.821 for normal quiet breathing and 0.856 for forced exhale. A model integrating VOC profiles with clinical biomarkers (FeNO, eosinophils, IgE) demonstrated very high accuracy in internal validation in predicting BDR (AUC = 1.000 for tidal breathing; AUC = 0.970 for forced expiration). Specific mass spectral features (m/z 79, m/z 101) were significantly associated with a positive BDR test. Conclusions: This study delineates disease-specific VOC signatures and underscores the profound synergy between exhaled metabolomics and clinical immunology for identifying associations treatment response, advocating for the integration of real-time breath analysis into personalized management strategies for obstructive lung diseases. Full article

Mango (Mangifera indica L.) is a popular tropical fruit enjoyed worldwide, with Europe being a significant importer of this fruit. Its climacteric nature and short shelf-life pose challenges for maintaining quality, while emissions from transportation threaten the sustainability of the supply chain. This highlights the importance of low-impact logistics in maintaining fruit quality. This study aimed to evaluate the quality of fresh mangoes in Italy by comparing the different shipping systems (air, sea, and road) for seven cultivars sourced from seven countries. Quality assessment included pomological analysis, PTR-ToF-MS for volatile profiling (n = 11 cultivars × 2 years × 3 replicates), and consumer sensory analysis (n = 65 for untrained panellists in 1 year, n = 8 for trained panellists over 2 years). Results indicated that air and truck transport better preserved fruit quality compared to sea freight, primarily due to shorter transit times, which allowed for harvesting at more advanced ripeness stages. The combination of PTR-ToF-MS and PLS-DA effectively differentiated samples based on the method of transport, showcasing its potential as a quick quality monitoring tool. Mangoes transported by air showed significantly higher levels of volatile organic compounds (VOCs), a 29% greater total soluble solids (TSSs) content, and a 44% lower acidity (TA). Sensorial tests indicated that consumers preferred these mangoes. However, air transport resulted in 30 times higher CO₂ emissions per kg of fruit compared to sea freight (~642,117 CO₂e (kg) vs. ~19,132 CO₂e (kg)), highlighting a critical dilemma between sustainability and quality. These findings provide a framework for developing hybrid logistics strategies that strike a balance between preserving quality and environmental responsibility. Additionally, they support the development of European mango cultivation, which can optimise harvest timing, reduce emissions, and enhance fruit quality. Full article

Background: Nasopharyngeal carcinoma (NPC) is a leading head and neck cancer in Asia, where late-stage presentation contributes to poor survival. Non-invasive diagnostic strategies such as breath analysis may improve early detection. Objectives: This study aimed to investigate whether volatile organic compound (VOC) features in exhaled breath, detected using proton transfer reaction mass spectrometry (PTR-MS), can distinguish NPC patients from healthy controls. Methods: Breath samples were collected from 50 NPC patients and 40 healthy controls. PTR-TOF-MS was used to measure exhaled VOC features. Group comparisons were performed using univariate analysis, while multivariable regression was adjusted for age, sex, BMI, smoking, and medication use. Multivariate methods, including principal component analysis (PCA) and random forest classification, were used to assess discriminatory potential. Results: Seven distinct VOC features (measured as m/z values) showed significant differences between NPC patients and healthy controls, with m089 and m175 emerging as the strongest markers of distinction. PCA after normalization revealed clearer separation between NPC patients and controls. Random forest models incorporating significant VOCs achieved moderate classification accuracy, and the results remained robust after adjusting for confounders. Conclusions: PTR-MS breath analysis can detect disease-specific VOC features in NPC and shows promise as a non-invasive diagnostic tool. Larger validation studies and definitive compound identification are needed to confirm clinical utility. Full article

Hydrolates are aromatic aqueous solutions saturated with volatile water-soluble compounds of essential oil. Despite their potential, hydrolates remain less explored than essential oils. In this work, the hydrolate of Pelargonium odoratissimum (L.) L’Hér. has been analyzed by multiple analytical techniques in order to describe its chemical composition. Headspace (HS-) and Direct Immersion-Solid Phase Microextraction-Gas Chromatography/Mass spectrometry (DI-SPME-GC/MS) and Proton Transfer Reaction Time-of-Flight Mass Spectrometry (PTR-ToF-MS) were employed to reveal the VOC emission from the hydrolate. Further, a direct injection of the pure hydrolate and of the hydrolate after extraction with hexane was performed by Large-Volume Injection Gas Chromatography/Mass Spectrometry (LVI-GC/MS) and GC/MS. The results obtained by HS- and DI-SPME-GC/MS highlighted a nearly overlapping chemical profile with linalool, isomenthone, and α-terpineol as the main volatiles. On the other hand, analysis of the hydrolate by GC/MS after solvent extraction revealed a lower overall number of compounds but allowed the detection of thujone and cis-linalool oxide. In comparison, LVI-GC/MS was the technique that allowed the identification of a higher number of volatiles with citronellol, linalool, and α-terpineol as the principal compounds. Finally, PTR-ToF-MS was a fundamental approach to quantify and evaluate total terpene emissions from this complex matrix starting from low-molecular-weight compounds such as acetylene, methanol, acetaldehyde, acetone, and ethanol, which were the most abundant. Among the detected compounds, dimethyl sulfide and small amounts of dimethyl-furan and 2-butylfuran were also identified. Overall, the findings showed that the hydrolate was rich in monoterpene compounds while sesquiterpene compounds were missing. A very low intensity relating to sesquiterpenes was recorded only by PTR-ToF-MS technique. Full article

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

Lymphangioleiomyomatosis (LAM) is a rare progressive disease that affects women of reproductive age and is characterized by cystic lung destruction, airflow obstruction, and lymphatic dysfunction. Current diagnostic methods are costly or lack sufficient specificity, highlighting the need for novel non-invasive approaches. Exhaled breath analysis using real-time proton mass spectrometry (PTR-MS) presents a promising strategy for identifying disease-specific volatile organic compounds (VOCs). This cross-sectional study analyzed exhaled breath samples from 51 LAM patients and 51 age- and sex-matched healthy controls. PTR-time-of-flight mass spectrometry (PTR-TOF-MS) was employed to identify VOC signatures associated with LAM. Data preprocessing, feature selection, and statistical analyses were performed using machine learning models, including gradient boosting classifiers (XGBoost), to identify predictive biomarkers of LAM and its complications. We identified several VOCs as potential biomarkers of LAM, including m/z = 90.06 (lactic acid) and m/z = 113.13. VOCs predictive of disease complications included m/z = 49.00 (methanethiol), m/z = 48.04 (O-methylhydroxylamine), and m/z = 129.07, which correlated with pneumothorax, obstructive ventilation disorders, and radiological findings of lung cysts and bronchial narrowing. The classifier incorporating these biomarkers demonstrated high diagnostic accuracy (AUC = 0.922). This study provides the first evidence that exhaled breath VOC profiling can serve as a non-invasive additional tool for diagnosing LAM and predicting its complications. These findings warrant further validation in larger cohorts to refine biomarker specificity and explore their clinical applications in disease monitoring and personalized treatment strategies. Full article

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 I_AD 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

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 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

Background: Ischemic heart disease (IHD) impacts the quality of life and is the most frequently reported cause of morbidity and mortality globally. Aims: To assess the changes in the exhaled volatile organic compounds (VOCs) in patients with vs. without ischemic heart disease (IHD) confirmed by stress computed tomography myocardial perfusion (CTP) imaging. Objectives: IHD early diagnosis and management remain underestimated due to the poor diagnostic and therapeutic strategies including the primary prevention methods. Materials and Methods: A single center observational study included 80 participants. The participants were aged ≥ 40 years and given an informed written consent to participate in the study and publish any associated figures. Both groups, G1 (n = 31) with and G2 (n = 49) without post stress-induced myocardial perfusion defect, passed cardiologist consultation, anthropometric measurements, blood pressure and pulse rate measurements, echocardiography, real time breathing at rest into PTR-TOF-MS-1000, cardio-ankle vascular index, bicycle ergometry, and immediately after performing bicycle ergometry repeating the breathing analysis into the PTR-TOF-MS-1000, and after three minutes from the end of the second breath, repeat the breath into the PTR-TOF-MS-1000, then performing CTP. LASSO regression with nested cross-validation was used to find the association between the exhaled VOCs and existence of myocardial perfusion defect. Statistical processing performed with R programming language v4.2 and Python v.3.10 [^R], STATISTICA program v.12, and IBM SPSS v.28. Results: The VOCs specificity 77.6% [95% confidence interval (CI); 0.666; 0.889], sensitivity 83.9% [95% CI; 0.692; 0.964], and diagnostic accuracy; area under the curve (AUC) 83.8% [95% CI; 0.73655857; 0.91493173]. Whereas the AUC of the bicycle ergometry 50.7% [95% CI; 0.388; 0.625], specificity 53.1% [95% CI; 0.392; 0.673], and sensitivity 48.4% [95% CI; 0.306; 0.657]. Conclusions: The VOCs analysis appear to discriminate individuals with vs. without IHD using machine learning models. Other: The exhaled breath analysis reflects the myocardiocytes metabolomic signature and related intercellular homeostasis changes and regulation perturbances. Exhaled breath analysis poses a promise result to improve the diagnostic accuracy of the physical stress tests using machine learning models. Full article

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

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

The quality of a cheese is determined by the balance of aroma compounds primarily produced by microorganisms during the transformation of milk into ripened cheese. The microorganisms, along with the technological parameters used in cheese production, influence aroma formation. The perception of these compounds is further influenced by the composition and structure of the cheese. This study aimed to characterize how cheese composition affects aroma compound production, release, and perception. Sixteen cheeses were produced under controlled conditions, followed by a quantitative descriptive analysis post ripening. Aroma composition was analyzed using HS-SPME–GC–MS, and a dynamic sensory evaluation (TCATA) was combined with nosespace analysis using PTR-ToF-MS. Image analysis was also conducted to characterize cheese structure. Cheese fat and whey lactose contents were identified as key factors in the variability of sensory attributes. GC–MS analyses identified 27 compounds correlated with sensory attributes. In terms of aroma compound release, 23 ions were monitored, with fat, salt, and lactose levels significantly affecting the release of most compounds. Therefore, cheese fat, salt, and whey lactose levels, as well as the types of microbial strains, play a role in influencing the composition, structure, release of aroma compounds, and sensory perception. Full article

Chili is a globally significant spice used fresh or dried for culinary, condiment, and medicinal purposes. Growing concerns about food safety have increased the demand for high-quality products and non-invasive tools for quality control like origin tracing and safety assurance. Volatile analysis offers a rapid, comprehensive, and safe method for characterizing various food products. Thus, this study aims to assess the impact of the drying process on the aromatic composition of various Capsicum species and to identify key compounds driving the aromatic complexity of each genetic makeup. To accomplish these objectives, the aroma was examined in fruits collected from 19 different pepper accessions (Capsicum sp.) belonging to four species: one ancestral (C. chacoense) and three domesticated pepper species (C. annuum, C. baccatum and C. chinense). Fresh and dried samples were analyzed using a headspace PTR-TOF-MS platform. Our findings reveal significant changes in the composition and concentration of volatile organic compounds (VOCs) from fresh to dried Capsicum. Notably, chili peppers of the species C. chinense consistently exhibited higher emission intensity and a more complex aroma compared to other species (both fresh and dried). Overall, the data clearly demonstrate that the drying process generally leads to a reduction in the intensity and complexity of the aromatic compounds emitted. Specifically, fresh peppers showed higher volatile organic compounds content compared to dried ones, except for the two sweet peppers studied, which exhibited the opposite behavior. Our analysis underscores the variability in the effect of drying on volatile compound composition among different pepper species and even among different cultivars, highlighting key compounds that could facilitate species classification in dried powder. This research serves as a preliminary guide for promoting the utilization of various pepper species and cultivars as powder, enhancing product valorization. Full article

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