Abundance Of Volatile Organic Compounds Research Articles

Metabolic insights at the finish line: deciphering physiological changes in ultramarathon runners through breath VOC analysis

Exhaustive exercise can induce unique physiological responses in the lungs and other parts of the human body. The volatile organic compounds (VOCs) in exhaled breath are ideal for studying the effects of exhaustive exercise on the lungs due to the proximity of the breath matrix to the respiratory tract. As breath VOCs can originate from the bloodstream, changes in abundance should also indicate broader physiological effects of exhaustive exercise on the body. Currently, there is limited published data on the effects of exhaustive exercise on breath VOCs. Breath has great potential for biomarker analysis as it can be collected non-invasively, and capture real-time metabolic changes to better understand the effects of exhaustive exercise. In this study, we collected breath samples from a small group of elite runners participating in the 2019 Ultra-Trail du Mont Blanc ultra-marathon. The final analysis included matched paired samples collected before and after the race from 24 subjects. All 48 samples were analyzed using the Breath Biopsy Platform with GC-Orbitrap™ via thermal desorption gas chromatography-mass spectrometry. The Wilcoxon signed-rank test was used to determine whether VOC abundances differed between pre- and post-race breath samples (adjusted P-value < .05). We identified a total of 793 VOCs in the breath samples of elite runners. Of these, 63 showed significant differences between pre- and post-race samples after correction for multiple testing (12 decreased, 51 increased). The specific VOCs identified suggest the involvement of fatty acid oxidation, inflammation, and possible altered gut microbiome activity in response to exhaustive exercise. This study demonstrates significant changes in VOC abundance resulting from exhaustive exercise. Further investigation of VOC changes along with other physiological measurements can help improve our understanding of the effect of exhaustive exercise on the body and subsequent differences in VOCs in exhaled breath.

Identification of Bletilla striata and related decoction pieces: a data fusion method combining electronic nose, electronic tongue, electronic eye, and high-performance liquid chromatography data.

Introduction: We here describe a new method for distinguishing authentic Bletilla striata from similar decoctions (namely, Gastrodia elata, Polygonatum odoratum, and Bletilla ochracea schltr). Methods: Preliminary identification and analysis of four types of decoction pieces were conducted following the Chinese Pharmacopoeia and local standards. Intelligent sensory data were then collected using an electronic nose, an electronic tongue, and an electronic eye, and chromatography data were obtained via high-performance liquid chromatography (HPLC). Partial least squares discriminant analysis (PLS-DA), support vector machines (SVM), and back propagation neural network (BP-NN) models were built using each set of single-source data for authenticity identification (binary classification of B. striata vs. other samples) and for species determination (multi-class sample identification). Features were extracted from all datasets using an unsupervised approach [principal component analysis (PCA)] and a supervised approach (PLS-DA). Mid-level data fusion was then used to combine features from the four datasets and the effects of feature extraction methods on model performance were compared. Results and Discussion: Gas chromatography-ion mobility spectrometry (GC-IMS) showed significant differences in the types and abundances of volatile organic compounds between the four sample types. In authenticity determination, the PLS-DA and SVM models based on fused latent variables (LVs) performed the best, with 100% accuracy in both the calibration and validation sets. In species identification, the PLS-DA model built with fused principal components (PCs) or fused LVs had the best performance, with 100% accuracy in the calibration set and just one misclassification in the validation set. In the PLS-DA and SVM authenticity identification models, fused LVs performed better than fused PCs. Model analysis was used to identify PCs that strongly contributed to accurate sample classification, and a PC factor loading matrix was used to assess the correlation between PCs and the original variables. This study serves as a reference for future efforts to accurately evaluate the quality of Chinese medicine decoction pieces, promoting medicinal formulation safety.

The Effect of Organic and Conventional Cultivation Systems on the Profile of Volatile Organic Compounds in Winter Wheat Grain, Including Susceptibility to Fusarium Head Blight.

The grain of 30 winter wheat cultivars differing in terms of their resistance to FHB (Fusarium head blight) was tested. The cultivars were grown in four variants of field trials established in a split-plot design: control without fungicides, chemical control of FHB with fungicides after Fusarium inoculation, Fusarium head inoculation, and organic cultivation. The profile of volatile compounds in grain samples was determined by mean headspace-solid phase microextraction and analyzed by gas chromatography time-of-flight mass spectroscopy. The identified volatile profile comprised 146 compounds belonging to 14 chemical groups. The lowest abundance of volatile organic compounds (VOCs) was found for the organic cultivation variant. The performed discriminant analysis facilitated the complete separation of grain for individual experimental variants based on the number of VOCs decreasing from 116 through 62, 37 down to 14. The grain from organic farming was characterized by a significantly different VOCs profile than the grain from the other variants of the experiment. The compounds 1-methylcycloheptanol, 2-heptanone, 2(3H)-furanone, and 5-hexyldihydro-2(3H)-furanone showed statistically significant differences between all four experimental variants.

Closing the Reactive Carbon Flux Budget: Observations From Dual Mass Spectrometers Over a Coniferous Forest

AbstractWe use observations from dual high‐resolution mass spectrometers to characterize ecosystem‐atmosphere fluxes of reactive carbon across an extensive range of volatile organic compounds (VOCs) and test how well that exchange is represented in current chemical transport models. Measurements combined proton‐transfer reaction mass spectrometry (PTRMS) and iodide chemical ionization mass spectrometry (ICIMS) over a Colorado pine forest; together, these techniques have been shown to capture the majority of ambient VOC abundance and reactivity. Total VOC mass and associated OH reactivity fluxes were dominated by emissions of 2‐methyl‐3‐buten‐2‐ol, monoterpenes, and small oxygenated VOCs, with a small number of compounds detected by PTRMS driving the majority of both net and upward exchanges. Most of these dominant species are explicitly included in chemical models, and we find here that GEOS‐Chem accurately simulates the net and upward VOC mass and OH reactivity fluxes under clear sky conditions. However, large upward terpene fluxes occurred during sustained rainfall, and these are not captured by the model. Far more species contributed to the downward fluxes than are explicitly modeled, leading to a major underestimation of this key sink of atmospheric reactive carbon. This model bias mainly reflects missing and underestimated concentrations of depositing species, though inaccurate deposition velocities also contribute. The deposition underestimate is particularly large for assumed isoprene oxidation products, organic acids, and nitrates—species that are primarily detected by ICIMS. Net ecosystem‐atmosphere fluxes of ozone reactivity were dominated by sesquiterpenes and monoterpenes, highlighting the importance of these species for predicting near‐surface ozone, oxidants, and aerosols.

Effects of essential oil-based formulation on biopesticide activity

Essential oils (EOs) represent a promising source of biopesticides, given their compositional complexity which bestows them high insect specificity and low risk of inducing resistance. However, their use in agriculture remains limited by their rapid degradation, limited duration of effect and non-target toxicity. These issues largely result from the under-optimized methods currently used to formulate EOs, in which their volatile organic compounds (VOCs) are poorly protected. In this study we compared pure Artemisia and Rosemary EOs to EOs formulated in three, low-cost, relatively simple, and easily applicable manners: as nanoemulsions, atomized powders, and Natural Deep Eutectic Solvents (NaDES). 24 hours after formulation, the entomotoxicity and phytotoxicity of the EOs were tested on Bemisia tabaci infested tomato plants. The identity and relative abundance of VOCs present in all formulations were also assessed 24 hours post-preparation using GC-MS and GC-FID. Nanoemulsions proved the most entomotoxic of formulations, followed by NaDES and pure EOs, while atomized powders were not significantly more entomotoxic than the control. Entomotoxicity was coupled with phytotoxicity for all formulations, except NaDES which induced particularly high rates of B. tabaci mortality when prepared with Rosemary EO, in addition to reducing damages on treated plants. Total VOC abundance depended on VOC release kinetics, determined by formulation, which although higher for pure EOs, was more gradual for NaDES. These results show the importance of EO formulation and the potential for NaDES to provide effective, sustained pest control.

Lime and odour: A preliminary investigation into the effect of hydrated lime on the volatiles emitted from human remains

The location of human remains is performed primarily through the aid of cadaver detection dogs, which rely on the malodour produced through decomposition of decaying bodies. Malefactors will attempt to conceal these putrefactive odours through chemical additions such as lime, which is also wrongly believed to accelerate decomposition and prevent the identification of the victim. Despite the frequency of lime in forensic applications, to date no research has been performed to determine its effect on the volatile organic compounds (VOCs) released during human decomposition. This research was therefore conducted to ascertain the effects of hydrated lime on the VOC profile of human remains. Two human donors were used in a field trial at the Australian Facility for Taphonomic Experimental Research (AFTER): one donor was covered with hydrated lime, and the other had no chemical additions acting as a control. VOC samples were collected over a period of 100 days and analysed using comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC×GC-TOFMS). The volatile samples were accompanied by visual observations of how decomposition progressed. The results showed that lime application decreased the rate of decomposition and decreased total carrion insect activity. Lime increased the abundance of VOCs during the fresh and bloat stages of decay, however the abundance of compounds plateaued during active and advanced decomposition and were much lower than those detected from the control donor. Despite this suppression of VOCs, the study found that dimethyl disulfide and dimethyl trisulfide, key sulfur-containing compounds, were still produced in high quantities, and can thus still be used to locate chemically altered human remains. Knowledge of the effects of lime on human decomposition can inform the training of cadaver detection dogs, and ensure a greater chance at locating victims of crimes or mass disasters.

Exploring Volatile Organic Compounds in Rhizomes and Leaves of Kaempferia parviflora Wall. Ex Baker Using HS-SPME and GC-TOF/MS Combined with Multivariate Analysis.

Volatile organic compounds (VOCs) play an important role in the biological activities of the medicinal Zingiberaceae species. In commercial preparations of VOCs from Kaempferia parviflora rhizomes, its leaves are wasted as by-products. The foliage could be an alternative source to rhizome, but its VOCs composition has not been explored previously. In this study, the VOCs in the leaves and rhizomes of K. parviflora plants grown in a growth room and in the field were analyzed using the headspace solid-phase microextraction (HS-SPME) method coupled with gas chromatography and time-of-flight mass spectrometry (GC-TOF-MS). The results showed a total of 75 and 78 VOCs identified from the leaves and rhizomes, respectively, of plants grown in the growth room. In the field samples, 96 VOCs were detected from the leaves and 98 from the rhizomes. These numbers are higher compared to the previous reports, which can be attributed to the analytical techniques used. It was also observed that monoterpenes were dominant in leaves, whereas sesquiterpenes were more abundant in rhizomes. Principal component analysis (PCA) revealed significantly higher abundance and diversity of VOCs in plants grown in the field than in the growth room. A high level of similarity of identified VOCs between the two tissues was also observed, as they shared 68 and 94 VOCs in the growth room and field samples, respectively. The difference lies in the relative abundance of VOCs, as most of them are abundant in rhizomes. Overall, the current study showed that the leaves of K. parviflora, grown in any growth conditions, can be further utilized as an alternative source of VOCs for rhizomes.

Metabolic Changes during Sprouting of Rapeseed and Their Consequences for the Volatilome of Cold‐Pressed Oil

AbstractAll the procedures before pressing seeds have a great influence on the flavor of cold‐pressed rapeseed oil. However, the studies on the modification of aroma caused by inappropriate storage leading to sprouting are scarce. Therefore, this study aims to determine the effects of sprouting on the metabolome and volatilome of rapeseed cold‐pressed oil and press cakes. The presence of 56 and 21 nonvolatile metabolites is detected in seeds/press cakes and oil, respectively. Sprouting significantly affects the total contents of all groups of compounds, except sugars. At the same time, 375 volatile organic compounds (VOCs) are detected. The abundance of VOCs in sprouted oil is almost threefold higher compared to control oil, with the biggest contribution of sulfur‐containing compounds (dimethyl sulfide), glucosinolate derivatives (4‐isothiocyanato‐1‐butene), and aldehydes (3‐methylbutanal). A similar tendency is observed in press cake. Moreover, sprouting results in the biggest number of VOCs detected only in this oil (61). The abundance of aroma‐active compounds is much higher in sprouted products compared to corresponding controls, which has a confirmation in sensory analysis. This study shows that simultaneous volatilomics and metabolomics can be used to track the changes in the oil quality caused by the inappropriate storage of seeds. Sprouting leads to metabolic changes in seeds, which intensify the formation of new VOCs and consequently aroma of oils.Practical applications: The results of this study will help to understand the formation of volatile organic compounds (VOCs) during the processing and production of cold‐pressed rapeseed oil. The combination of VOCs with nonvolatile precursors can help to understand the pathways involved in VOCs formation. Moreover, the oil obtained from sprouted seeds is characterized by many VOCs not present in control oil, which can potentially be used to develop tools for quick evaluation if the seeds used for pressing initiated sprouting, which can lead to changes in its sensory quality.

Gas chromatography-mass spectrometry pilot study to identify volatile organic compound biomarkers of childhood obesity with dyslipidemia in exhaled breath.

Childhood obesity affects multiple organs in the body and is associated with both significant morbidity and ultimately premature mortality. Childhood obesity, especially dyslipidemia, can lead to early atherosclerosis and premature cardiovascular disease (CVD) in adulthood. The detection of exhaled volatile organic compounds (VOCs) in the breath offers the opportunity for the discovery of novel disease-specific biomarkers. This study aimed to identify VOCs that correlate with childhood obesity accompanied by dyslipidemia. A total of 82 overweight or obese children between the ages of 8 and 12 years were recruited from the exercise on obesity adolescents in Peking (EXCITING) study (NCT04984005). The breath VOCs of the participants were measured by gas chromatography-mass spectrometry (GC-MS). The classification was performed using principal component analysis (PCA) of the relative abundance of VOCs. The difference between the obese and overweight groups with or without dyslipidemia was analyzed. Among the 82 children, 25 were overweight, of whom 10 had dyslipidemia. The other 57 children were obese, and 17 of them had dyslipidemia. Obese children with dyslipidemia had higher triglycerides and elevated non-high-density lipoprotein-cholesterol compared to overweight children without dyslipidemia. We confirmed 13 compounds based on database well matches (average score > 80) for mass spectra and refractive index. These 13 VOCs were grouped into three chemical functional groups: saturated hydrocarbons, aromatic hydrocarbons and unsaturated aldehydes. For obese children with dyslipidemia, the PCA scatter plot of the three chemical groups was obviously separated from the other groups. Some of the candidates, including heptadecane, naphthalene, and cis-6-nonnenol, were significantly higher in obese children with dyslipidemia than in overweight groups with or without dyslipidemia. A suite of VOCs from three chemical function groups, saturated hydrocarbons, aromatic hydrocarbons, and unsaturated aldehydes, were separated in the obese children with dyslipidemia. Heptadecane, naphthalene, and cis-6-nonenol were significantly elevated in obese children with dyslipidemia. Our findings underscore the potential value of the candidate VOCs for future risk categorization.

Production and Analysis of Beer Supplemented with Chlorella vulgaris Powder

The microalgae Chlorella vulgaris is a cheap source of nutrients and bioactive compounds, and thus is used in many interventional studies. This study evaluated the potential effects of C. vulgaris powder on fermentation parameters; sensory, phytochemical, and antioxidant activity; and the abundance of volatile organic compounds (VOCs) of treated versus control beers. A German Pilsner-style lager beer (GPB) was brewed and supplemented with C. vulgaris at various levels (3.3, 5, and 10 g/L) after primary fermentation. The apparent °Brix and pH was used to monitor the progress of fermentation. The 2,2-diphenyl-1-picrylhydrazyl (DPPH) and hydrogen peroxide (H2O2) was used to measure the antioxidant activity of beers. Addition of C. vulgaris increased the concentration of total polyphenols, total flavonoids, and antioxidant activity of treated beers (CGB) compared to the control (GPB). Treatment had no effects (p &gt; 0.05) on higher alcohols such as 3-methyl-1-butanol, 2-hexanol, and phenylethyl alcohol. An increase in the concentration of C. vulgaris had no significant effects on sensory perception of enriched beers. The results showed that C. vulgaris could be used as a potential ingredient for designing functional beer with improved health benefits.

Measurement of Exhaled Volatile Organic Compounds as a Biomarker for Personalised Medicine: Assessment of Short-Term Repeatability in Severe Asthma.

The measurement of exhaled volatile organic compounds (VOCs) in exhaled breath (breathomics) represents an exciting biomarker matrix for airways disease, with early research indicating a sensitivity to airway inflammation. One of the key aspects to analytical validity for any clinical biomarker is an understanding of the short-term repeatability of measures. We collected exhaled breath samples on 5 consecutive days in 14 subjects with severe asthma who had undergone extensive clinical characterisation. Principal component analysis on VOC abundance across all breath samples revealed no variance due to the day of sampling. Samples from the same patients clustered together and there was some separation according to T2 inflammatory markers. The intra-subject and between-subject variability of each VOC was calculated across the 70 samples and identified 30.35% of VOCs to be erratic: variable between subjects but also variable in the same subject. Exclusion of these erratic VOCs from machine learning approaches revealed no apparent loss of structure to the underlying data or loss of relationship with salient clinical characteristics. Moreover, cluster evaluation by the silhouette coefficient indicates more distinct clustering. We are able to describe the short-term repeatability of breath samples in a severe asthma population and corroborate its sensitivity to airway inflammation. We also describe a novel variance-based feature selection tool that, when applied to larger clinical studies, could improve machine learning model predictions.

Variation of volatile organic compound levels within ambient room air and its impact upon the standardisation of breath sampling

The interest around analysis of volatile organic compounds (VOCs) within breath has increased in the last two decades. Uncertainty remains around standardisation of sampling and whether VOCs within room air can influence breath VOC profiles. To assess the abundance of VOCs within room air in common breath sampling locations within a hospital setting and whether this influences the composition of breath. A secondary objective is to investigate diurnal variation in room air VOCs. Room air was collected using a sampling pump and thermal desorption (TD) tubes in the morning and afternoon from five locations. Breath samples were collected in the morning only. TD tubes were analysed using gas chromatography coupled with time-of-flight mass spectrometry (GC-TOF-MS). A total of 113 VOCs were identified from the collected samples. Multivariate analysis demonstrated clear separation between breath and room air. Room air composition changed throughout the day and different locations were characterized by specific VOCs, which were not influencing breath profiles. Breath did not demonstrate separation based on location, suggesting that sampling can be performed across different locations without affecting results.

Diagnostic Performance of a Noninvasive Breath Test for Colorectal Cancer: COBRA1 Study

Diagnostic Performance of a Noninvasive Breath Test for Colorectal Cancer: COBRA1 Study

Time Depletion Effects on the Volatile Compounds from the Distillation Extracts of Prunella vulgaris and the Dynamics of their Extraction.

Prunella vulgaris (PV) is a low-growing perennial herb, which can be found in different parts of the world as Asia, Europe and North America. It is traditionally used for medicinal treatment in various cultures in India, China, Japan, Korea, Russia, and Eastern Europe for treating different ailments, such as fever, and healing wounds. In our previous article, we showed the anti-tumorous effect of the volatile organic compounds (VOCs) of PV and characterized the steam distillation process in the extraction of VOCs from PV. This has never been done before as we are aware of. To use the VOCs as drugs, there is a question of how much of the VOCs are lost before the prepared drugs reach the patients. Thus, the first aim of the present article is to try to explore the time depletion effect on the VOCs in the PV extracts. Then, the second aim is to extend the work in the previous paper and further understand the dynamics of the distillation process of PV by changing the steam flow rate in the extraction process. To achieve the first aim to explore the aging effect of how much VOCs are depleted after they are extracted, the VOCs were first extracted by the same method as before, i.e., using steam distillation. Then, tubes of the aqueous solution containing the VOCs were then stored in a 5°C refrigerator. They were then taken out for GC-MS analysis according to a preplanned schedule up to 8 weeks after the VOCs were extracted. The chemical composition of the distillate could then be evaluated. This revealed the changes in the abundance of VOCs with aging. At the same time, the cell viability of SCC154 oral squamous cells treated by these herbal solutions, which were at different aging stages, was evaluated using a tetrazolium-based colorimetric reagent, Cell Counting Kit-8. To achieve the second aim of exploring the dynamics of the steam distillation process, the steam flow rate was adjusted by changing the temperature setting of the hot plate. GC-MS was again used to quantify the chemical constituents of the distillates. By using GC-MS to measure the abundance of volatile compounds at different time points after the distillation process, it was found that the volatile compounds persist for a very long time, or over 8 weeks, which was the longest period of our experiment. The aging of the distillates also did not depreciate much the cell cytotoxicity of the PV distillate on the cancer cells. With respect to the dynamics of the steam distillation process, it was found that, at a low steam flow rate, volatile compounds of lower molecular weight are more efficient to be extracted, while at a high steam flow rate, volatile compounds of higher molecular weight are more efficiently extracted. Our findings demonstrate that the VOC compounds extracted and present in aqueous form do not deplete much for at least 2 months after the extraction process, neither they exhibit cell cytotoxicity. The experiments on the dynamics of the steam distillation process demonstrate that the mass of herb present in the flow path of the steam has significant effects on the relative amounts of VOCs extracted.

Assessment of a Diterpene-Rich Rosemary (Rosmarinus officinalis L.) Extract as a Natural Antioxidant for Salmon Pâté Formulated with Linseed.

The use of natural plant extracts with standardised antioxidant properties is a growing strategy to stabilise food products. The use of a rosemary lipophilic extract (RLE), obtained from the by-product of high-yield selected plants and rich in polyphenols (334 mg/g, with diterpenes such as carnosic acid and carnosol as main compounds), is here proposed. Four RLE doses (0, 0.21, 0.42 and 0.63 g/kg) were tested in a salmon pâté formulated with sunflower oil and linseed, which was pasteurised (70 °C for 30 min) and subjected to storage at 4 °C and 600 lux for 42 days. Rosemary diterpenes resisted pasteurisation without degrading and showed antioxidant activities during the shelf-life of pasteurised pâté. RLE addition led to increased peroxide value (from 3.9 to 5.4 meq O2/kg), but inhibited formation of secondary oxidised lipids such as malondialdehyde (from 1.55 to 0.89 mg/g) and cholesterol oxidation products (from 286 to 102 µg/100 g) and avoided discolouration (slight brownness) in the refrigerated pâté. However, this did not entail relevant changes in fatty acid content or in the abundance of volatile organic compounds from oxidised lipids. Increasing the RLE dose only improved its antioxidant efficacy for some oxidation indexes. Thus, the oxidative deterioration of these types of fish emulsion can be naturally controlled with rosemary extracts rich in diterpenes.

Two strains of airborne Nocardiopsis alba producing different volatile organic compounds (VOCs) as biofungicide for Ganoderma boninense.

Nocardiopsis are actinobacteria which produce active compounds, such as antifungals and volatile compounds. Ganoderma boninense is a pathogenic and aggressive fungus that decreases palm oil yield during production. In this study, we isolated two strains of Nocardia (GME01 and GME22) from airborne contaminants on the actinobacteria culture collection in the laboratory. The aim of this study is to identify two strains of Nocardiopsis and to obtain the antifungal potency of volatile organic compounds (VOCs) against G. boninese. We characterized the morphology using Scanning Electrone Microscope (SEM), molecular properties and whole-cell protein spectra using Matrix Assisted Laser Desorption Ionization Time of Flight Mass Spectrometry (MALDI-TOF MS), antifungal assay on G. boninense and VOCs analysis of Nocardia using solid phase micro extraction/gas chromatography (SPME/GC). The two Nocardiopsis strains had the similar characteristic such as white aerial mycelium and spores, aerobic, grow well on ISP-2, TSA and NA medium without diffusible pigment and had the highest similarity with Nocardiopsis alba DSM 43377 (99.63% and 99.55% similarity for GME01 and GME22, respectively), Different morphological feature was found in aerial mycelium and spores. GME22 has a clearly fragmented mycelium whereas GME01 has none. Other features also showed different on the whole-cell protein spectra, antifungal activity and VOCs profiles. Antifungal activity assay on G. boninense showed that N. alba GME22 has higher antifungal activity than GME01 related with the VOCs abundance in two strains. Almost 38.3% (18 VOCs) of N. alba GME22 and 25.5% (12 VOCs) of N. alba GME01 were found specifically in each strain, and 36.2% (the 17 same VOCs) produced by both. The known volatile antifungal compounds S-methyl ethanethioate, 1,2-dimethyldisulfane, acetic acid, 2-methyl propanoic acid, 3-methyl-butanoic acid, nonan-2-one, undecan-2-one and 2-isopropyl-5-methylcyclohexan-1-ol only produced by N. alba GME22 and 1,3-dimethyltrisulfane only produced by N. alba GME01. A total of two known antifungal compounds 1,2-dimethyldisulfane and 6-methylheptan-2-one were produced by both N. alba. The abundance of antifungal VOCs produced by these bacteria is potentially to be used as biocontrol agent for pathogenic fungi in plants.

Seasonal variation and origins of volatile organic compounds observed during 2 years at a western Mediterranean remote background site (Ersa, Cape Corsica)

Abstract. An original time series of about 300 atmospheric measurements of a wide range of volatile organic compounds (VOCs) was obtained at a remote Mediterranean station on the northern tip of Corsica (Ersa, France) over 25 months from June 2012 to June 2014. This study presents the seasonal variabilities of 35 selected VOCs and their various associated sources. The VOC abundance was largely dominated by oxygenated VOCs (OVOCs) along with primary anthropogenic VOCs with a long lifetime in the atmosphere. VOC temporal variations were then examined. Primarily of local origin, biogenic VOCs exhibited notable seasonal and interannual variations, related to temperature and solar radiation. Anthropogenic compounds showed increased concentrations in winter (JFM months) followed by a decrease in spring/summer (AMJ/JAS months) and higher winter concentration levels in 2013 than in 2014 by up to 0.3 µg m−3 in the cases of propane, acetylene and benzene. OVOC concentrations were generally high in summertime, mainly due to secondary anthropogenic/biogenic and primary biogenic sources, whereas their lower concentrations during autumn and winter were potentially more influenced by primary/secondary anthropogenic sources. Moreover, an apportionment factorial analysis was applied to a database comprising a selection of 14 individual or grouped VOCs by means of the positive matrix factorization (PMF) technique. A PMF five-factor solution was taken on. It includes an anthropogenic factor (which contributed 39 % to the total concentration of the VOCs selected in the PMF analysis) connected to the regional background pollution, three other anthropogenic factors (namely short-lived anthropogenic sources, evaporative sources, and long-lived combustion sources, which together accounted for 57 %) originating from either nearby or more distant emission areas (such as Italy and south of France), and a local biogenic source (4 %). Variations in these main sources impacting VOC concentrations observed at the Ersa station were also investigated at seasonal and interannual scales. In spring and summer, VOC concentrations observed at Ersa were the lowest in the 2-year period, despite higher biogenic source contributions. During these seasons, anthropogenic sources advected to Ersa were largely influenced by chemical transformations and vertical dispersion phenomena and were mainly of regional origins. During autumn and winter, anthropogenic sources showed higher contributions when European air masses were advected to Ersa and could be associated with potential emission areas located in Italy and possibly more distant ones in central Europe. Higher VOC winter concentrations in 2013 than in 2014 could be related to contribution variations in anthropogenic sources probably governed by their emission strength with external parameters, i.e. weaker dispersion phenomena and the pollutant depletion. High-frequency observations collected during several intensive field campaigns conducted at Ersa during the three summers 2012–2014 confirmed findings drawn from bi-weekly samples of the 2-year period in terms of summer concentration levels and source apportionment. However, they also suggested that higher sampling frequency and temporal resolution, in particular to observe VOC concentration variations during the daily cycle, would have been necessary to confirm the deconvolution of the different anthropogenic sources identified following the PMF approach. Finally, comparisons of the 25 months of Ersa observations with VOC measurements conducted at 17 other European monitoring stations highlighted the representativeness of the Ersa station for monitoring seasonal variations in VOC regional pollution impacting continental Europe. Nevertheless, VOC winter concentration levels can significantly vary between sites, pointing out spatial variations in anthropogenic source contributions. As a result, Ersa concentration variations in winter were more representative of VOC regional pollution impacting central Europe. Moreover, interannual and spatial variations in VOC winter concentration levels were significantly impacted by synoptic phenomena influencing meteorological conditions observed in continental Europe, suggesting that short observation periods may reflect the variability of the identified parameters under the specific meteorological conditions of the study period.

Traffic-Related Airborne VOC Profiles Variation on Road Sites and Residential Area within a Microscale in Urban Area in Southern Taiwan

The sampling sites, including roadsides and residential areas, were set up to collect ambient air and determine the volatile organic species it contained. For the roadside air, the average VOCs (volatile organic compounds) abundant at rush hour periods was two times that at non-rush hour periods. In the residential area, the VOC concentrationswere106 and 129 ppb during rush hour periods. The VOC concentration ratios of roadside and residential areas were in the range of 1.08–1.75 and the traffic emissions were related to the VOCs abundant in air. The highest VOC concentration was 168 ppb at midnight at residential sites and the VOC abundance could be two times that of roadside sites. This level of concentration could be attributed to the application of solvents and to human activity in a nearby motorcycle/vehicle maintenance plant, laundry rooms, etc. High abundant species were similar in both the roadside and residential air samples. These highly abundant species included toluene, acetone, acetonitrile, m,p-xylene and n-pentane, all of which can be emitted from traffic exhaust. Benzene, acrolein, formaldehyde, vinyl chloride and 1,3-butadiene were the main species with health impacts collected at both sites. In the micro-scale environment, the residential ambient air was affected by traffic flow from morning to night. In the midnight period, some local activities (a motorcycle/vehicle maintenance shop and laundry shops) affected the concentrations of certain VOCs (acetonitrile, toluene, hexane, 2-methylpentane, methyl cyclopentane and 3-methylpentane). The traffic and motor vehicles’ effects were determined, which could be useful for air quality management and strategy development in an urban area.

Metabolic Profiling of Volatile Organic Compounds (VOCs) Emitted by the Pathogens Francisella tularensis and Bacillus anthracis in Liquid Culture

We conducted comprehensive (untargeted) metabolic profiling of volatile organic compounds (VOCs) emitted in culture by bacterial taxa Francisella tularensis (F. tularensis) subspecies novicida and Bacillus anthracis (B. anthracis) Sterne, surrogates for potential bacterial bioterrorism agents, as well as selective measurements of VOCs from their fully virulent counterparts, F. tularensis subspecies tularensis strain SCHU S4 and B. anthracis Ames. F. tularensis and B. anthracis were grown in liquid broth for time periods that covered logarithmic growth, stationary, and decline phases. VOCs emitted over the course of the growth phases were collected from the headspace above the cultures using solid phase microextraction (SPME) and were analyzed using gas chromatography-mass spectrometry (GC-MS). We developed criteria for distinguishing VOCs originating from bacteria versus background VOCs (originating from growth media only controls or sampling devices). Analyses of collected VOCs revealed methyl ketones, alcohols, esters, carboxylic acids, and nitrogen- and sulfur-containing compounds that were present in the bacterial cultures and absent (or present at only low abundance) in control samples indicating that these compounds originated from the bacteria. Distinct VOC profiles where observed for F. tularensis when compared with B. anthracis while the observed profiles of each of the two F. tularensis and B. anthracis strains exhibited some similarities. Furthermore, the relative abundance of VOCs was influenced by bacterial growth phase. These data illustrate the potential for VOC profiles to distinguish pathogens at the genus and species-level and to discriminate bacterial growth phases. The determination of VOC profiles lays the groundwork for non-invasive probes of bacterial metabolism and offers prospects for detection of microbe-specific VOC biomarkers from two potential biowarfare agents.

From Extra Virgin Olive Oil to Refined Products: Intensity and Balance Shifts of the Volatile Compounds versus Odor.

To explore relationships between the volatile organic compounds (VOCs) of different grades of olive oils (OOs) (extra virgin olive oil (EVOO), refined olive oil (ROO), and pomace olive oil (POO)) and odor quality, VOCs were measured in the headspace of the oils by proton transfer reaction quadrupole ion guide time-of-flight mass spectrometry. The concentrations of most VOCs differed significantly between the grades (EVOO > ROO > POO), whereas the abundance of m/z 47.012 (formic acid), m/z 49.016 (fragments), m/z 49.027 (fragments), and m/z 115.111 (heptanal/heptanone) increased in that order. Although the refined oils had considerably lower VOC abundance, the extent of the decline varied with the VOCs. This results in differences in VOCs proportions. The high VOC abundance in the EVOO headspace in comparison to ROO and POO results in a richer and more complex odor. The identified C5–C6 compounds are expected to contribute mainly to the green odor notes, while the identified C1–C4 and C7–C15 are mainly responsible for odor defects of OOs. Current results reveal that processing strongly affects both the quantitative and relative abundance of the VOCs and, therefore, the odor quality of the various grades of OOs.