Screening Of Volatile Organic Compounds Research Articles

Non-target screening of volatile organic compounds in spray-type consumer products and their potential health risks

Widespread use of spray-type consumer products can raise significant concerns regarding their effects on indoor air quality and human health. In this study, we conducted non-target screening using gas chromatography-mass spectrometry (GC-MS) to analyze VOCs in 48 different spray-type consumer products. Using this approach, we tentatively identified a total of 254 VOCs from the spray-type products. Notably, more VOCs were detected in propellant-type products which are mostly solvent-based than in trigger-type ones which are mostly water-based. The VOCs identified encompass various chemical classes including alkanes, cycloalkanes, monoterpenoids, carboxylic acid derivatives, and carbonyl compounds, some of which arouse concerns due to their potential health effects. Alkanes and cycloalkanes are frequently detected in propellant-type products, whereas perfumed monoterpenoids are ubiquitous across all product categories. Among the identified VOCs, 12 compounds were classified into high-risk groups according to detection frequency and signal-to-noise (S/N) ratio, and their concentrations were confirmed using reference standards. Among the identified VOCs, D-limonene was the most frequently detected compound (freq. 21/48), with the highest concentration of 1.80 mg/g. The risk assessment was performed to evaluate the potential health risks associated with exposure to these VOCs. The non-carcinogenic and carcinogenic risks associated with the assessed VOC compounds were relatively low. However, it is important not to overlook the risk faced by occupational exposure to these VOCs, and the risk from simultaneous exposure to various VOCs contained in the products. This study serves as a valuable resource for the identification of unknown compounds in the consumer products, facilitating the evaluation of potential health risks to consumers.

Screening of volatile organic compounds (VOCs) from liquid fungal cultures using ambient mass spectrometry

The potential of fungi for use as biotechnological factories in the production of a range of valuable metabolites, such as enzymes, terpenes, and volatile aroma compounds, is high. Unlike other microorganisms, fungi mostly secrete secondary metabolites into the culture medium, allowing for easy extraction and analysis. To date, the most commonly used technique in the analysis of volatile organic compounds (VOCs) is gas chromatography, which is time and labour consuming. We propose an alternative ambient screening method that provides rapid chemical information for characterising the VOCs of filamentous fungi in liquid culture using a commercially available ambient dielectric barrier discharge ionisation (DBDI) source connected to a quadrupole-Orbitrap mass spectrometer. The effects of method parameters on measured peak intensities of a series of 8 selected aroma standards were optimised with the best conditions being selected for sample analysis. The developed method was then deployed to the screening of VOCs from samples of 13 fungal strains in three different types of complex growth media showing clear differences in VOC profiles across the different media, enabling determination of best culturing conditions for each compound-strain combination. Our findings underline the applicability of ambient DBDI for the direct detection and comparison of aroma compounds produced by filamentous fungi in liquid culture.Graphical abstract

Screening of volatile organic compounds emitted from different packaging materials: case study on fresh-cut artichokes

In the present work, the emission of volatile organic compounds (VOCs) from plastic packaging materials and their migration to the packaged product was investigated. Fresh-cut artichokes were chosen as a case study owing to their nutritional profile, including phenolic compounds, antioxidants, inulin and fiber, and the high market demand. Artichokes were cut into quarters, packaged in active modified atmosphere (5% O2 and 10% CO2) in three different micro-perforated (MP) packages (polypropylene (PP), polypropylene/polyamide (PP/PA) and polylactic acid (PLA)) and stored for 10 days at 5° C. For the detection of VOCs on the packaging materials and in the packaged product, three approaches were considered. First, VOCs emitted from a piece of package were extracted by solid phase micro extraction (SPME), at 30°C, and analyzed by gas-chromatography coupled to mass spectrometry (GC–MS). Second, VOCs from the headspace of the empty closed bag were extracted by SPME, at 5°C, to understand if any packaging volatile compound was transferred into the package atmosphere in this temperature condition. Finally, packaged artichokes were also analyzed by SPME/GC–MS to detect any presence of packaging volatiles compared to the fresh product. Emitted VOCs were different according to the material; in particular PP/PA emitted the greatest number of VOCs, most of them belonging to the class of branched alkanes and alkenes, such as 4-methyl-heptane, 2,4-dimethyl-heptane, 4-methyl-octane and 2,4 dimethyl heptene; PP emitted octane, aldehydes, and 1-metoxy-2-propanol; PLA emitted aldehydes and propanoic acid. Some VOCs were found into the atmosphere of the empty bags as well as on packaged artichokes, while they were not found in the fresh samples before packaging, suggesting that a study on the emission of VOCs from different plastic materials in contact with food and on the effect of different storage conditions is very critical for a better understanding of this issue.

Bioprospecting of Essential Oil-Bearing Plants: Rapid Screening of Volatile Organic Compounds Using Headspace Bubble-in-Drop Single-Drop Microextraction for Gas Chromatography Analysis.

Essential oils are vital constituents of oil-bearing plants. However, their screening still demands harvesting of the plant for laboratory analysis. We report herein a simple, rapid and robust headspace bubble-in-drop microextraction screening technique (BID-SPME) requiring only small amounts of plant material. The optimised method uses 0.5 g of the crushed plant leaves sample obtained in a 2 mL capped chromatography vial, heated to 55 °C and sampled with 2 µL heptadecane in a Hamilton gastight syringe equilibrated for 15 min exposed to the headspace volume. The method was applied to three plants, Pinus radiata, Tagetes minuta and Artemisia afra, which are known for their essential oil content. The method was able to extract at least 80% of the oil constituents in such abundance that they could be easily annotated using the gas chromatography–mass spectrometry (GC–MS) mass spectral libraries. The major volatile organic compounds (VOCs) detected included tagetone, terpinen-4-ol, ocimenone, caryophyllene, dihydrotagetone, terpinolene and artemisia ketone, just to mention a few, at different concentrations in different plants. Importantly, these annotated VOCs were also reported in other studies in the same and even different plants, extracted using normal steam distillation and importantly those reported in the literature for different extraction techniques.

Non-targeted screening of volatile organic compounds in a museum in China Using GC-Orbitrap mass spectrometry

Non-targeted analysis (NTA) was used in identifying volatile organic compounds (VOCs) in a museum in China with the gas chromatograph (GC)−Orbitrap−mass spectrometer (MS). Approximately 230 VOCs were detected, of which 117 were observed at 100% frequency across all sampling sites. Although some were common in indoor environments, most of the detected VOCs were rarely reported in previous studies on museum environments. Some of the detected VOCs were found to be associated with the materials used in furnishings and the chemicals applied in conservation treatment. Spearman's correlation analysis showed that several classes of VOCs were well correlated, suggesting their common sources. Compared with compounds in outdoor air, indoor VOCs had a lower level of unsaturation and more portions of chemically reduced compounds. Hierarchical cluster analysis (HCA) were performed. The results suggested that the sampling adsorbents chosen may have a large impact and that a single type of adsorbent may not be sufficient to cover a wide range of compounds in NTA studies. The MonoTrap adsorbent containing octadecylsilane (ODS) and activated carbon (AC) is suitable for aliphatic polar compounds that contain low levels of oxygen, whereas the MonoTrap ODS and silica gel are good at sampling aliphatic and aromatic hydrocarbons with limited polarity. Principle component analysis (PCA) showed that the indoor VOCs changed significantly at different times in the museum; this may have been caused by the removal of artifacts and refurbishment of the gallery between sampling events. A comparison with compounds identified by chamber emission tests showed that decorative materials may have been one of the main sources of indoor VOCs in the museum. The VOCs identified in the present study are likely to be present in other similar museums; therefore, further examination may be warranted of their potential impacts on cultural heritage artifacts, museum personnel, and visitors.

Non-Targeted Screening of Volatile Organic Compounds in a Museum in China Using Gc-Orbitrap Mass Spectrometry

Non-Targeted Screening of Volatile Organic Compounds in a Museum in China Using Gc-Orbitrap Mass Spectrometry

Phytochemical Screening of Volatile Organic Compounds in Three Common Coniferous Tree Species in Terms of Forest Ecosystem Services

Multiple positive effects that forests have on human health and overall well-being have been reported widely in the literature. Still, multiple elements of this relationship remain unidentified and unexplained. In this study, the composition of leaf volatile organic compounds (BVOCs) content in three common coniferous species: the Austrian pine (Pinus nigra), Scots pine (Pinus sylvestris) and Spruce (Picea abies), was analyzed. The specificity of BVOCs content in the examined species and their genotypes is observed as a plant potential to evaporate these organic compounds and potentially improve human health and well-being. Principal component analysis applied on BVOCs content among species showed significant differences between compounds that have previously been characterized as having positive effects on human health by acting as anticancer, anti-inflammatory, antiviral and antibacterial. Variations among genotypes of the investigated species were observed in the content of BVOCs relevant for human health improvement, such as limonene, terpinolene, β-pinene, linalool, camphene, camphor, citronellol and α-cadinol. The observed intra- and inter-species variations in the BVOCs content provide an appropriate base for further research on the forest–human health relationship, breeding and selection of the most suitable genotypes for human health improvement, and could I mpact the sustainable management of forests.

Screening of volatile organic compounds from actinobacteria for the control of phytopathogen Colletotrichum gloeosporioides

ABSTRACT Colletotrichum gloeosporioides is a fungus responsible for the plant disease called anthracnose, which causes harvest losses. Although pesticides are widely used to control this disease, they tend to lose effectiveness as the phytopathogen develops pesticide resistance. Bacteria with antifungal activity are an alternative in the development of biocontrol agents. Among other biocontrol mechanisms, some bacteria release volatile organic compounds (VOCs) that suppress the growth of some plant pathogens. This study evaluated screening bioassays of VOCs released by 20 strains of actinobacteria isolated from marine environments, as well as their antifungal activity. The Streptomyces sp. (PNM-149) strain showed antifungal activity against Colletotrichum gloeosporioides with 48% of growth inhibition and 67% inhibition of spore production. The VOCs resulting from the bacteria–fungus interaction were collected by static headspace and were then analysed by gas chromatography coupled with mass spectrometry (GC-MS). Seven VOCs including methyl anthranilate and 2-methyl isoborneol were identified as major compounds. Finally, a bioassay with 8 mg/disc of methyl anthranilate showed 100% growth inhibition of C. gloeosporioides.

Rapid Screening of Volatile Organic Compounds from Aframomum danielli Seeds Using Headspace Solid Phase Microextraction Coupled to Gas Chromatography Mass Spectrometry.

Volatile organic compounds (VOCs) derived from plants have been used in the fragrance industry since time immemorial. Herein we report on the rapid screening of VOCs from seeds of ripe Aframomum danielli (family, Zingiberaceae) using a polydimethylsiloxane fibre headspace solid phase microextraction coupled to a gas chromatography mass spectrometry (SPME-GC/MS) instrument. Portions of 0.25, 0.35, and 0.50 g of ground sample were weighed and extraction of volatile organic compounds (VOCs) was achieved using a 100 μm polydimethylsiloxane solid phase microextraction (PDMS SPME) fibre, with the equilibrium time of 40 minutes and extraction temperature of 50°C; the following compounds with their respective relative abundances were obtained as the top ten most abundant and annotated ones using NIST, Wiley, and Fragrances Libraries: eucalyptol (58%); β-pinene (22%); α-pinene (7.5%); α-terpineol (4%), α-terpinyl acetate (2%); α-bergamotene (1%); pinocarveol (0.39%); α-copaene (0.35%); caryophyllene (0.34); and β-bisabolene (0.31%). These compounds have been reported elsewhere in the literature and listed in the Fragrances Library, incorporated into the Saturn QP2020 GCMS Solution® software used for their analysis.

Direct analysis of volatile organic compounds in foods by headspace extraction atmospheric pressure chemical ionisation mass spectrometry.

RationaleThe rapid screening of volatile organic compounds (VOCs) by direct analysis has potential applications in the areas of food and flavour science. Currently, the technique of choice for VOC analysis is gas chromatography/mass spectrometry (GC/MS). However, the long chromatographic run times and elaborate sample preparation associated with this technique have led a movement towards direct analysis techniques, such as selected ion flow tube mass spectrometry (SIFT‐MS), proton transfer reaction mass spectrometry (PTR‐MS) and electronic noses. The work presented here describes the design and construction of a Venturi jet‐pump‐based modification for a compact mass spectrometer which enables the direct introduction of volatiles for qualitative and quantitative analysis.MethodsVolatile organic compounds were extracted from the headspace of heated vials into the atmospheric pressure chemical ionization source of a quadrupole mass spectrometer using a Venturi pump. Samples were analysed directly with no prior sample preparation. Principal component analysis (PCA) was used to differentiate between different classes of samples.ResultsThe interface is shown to be able to routinely detect problem analytes such as fatty acids and biogenic amines without the requirement of a derivatisation step, and is shown to be able to discriminate between four different varieties of cheese with good intra and inter‐day reproducibility using an unsupervised PCA model. Quantitative analysis is demonstrated using indole standards with limits of detection and quantification of 0.395 μg/mL and 1.316 μg/mL, respectively.ConclusionsThe described methodology can routinely detect highly reactive analytes such as volatile fatty acids and diamines without the need for a derivatisation step or lengthy chromatographic separations. The capability of the system was demonstrated by discriminating between different varieties of cheese and monitoring the spoilage of meats.

Target and non-target screening of volatile organic compounds in industrial exhaust gas using thermal desorption-gas chromatography-mass spectrometry

A method of comprehensive screening of the target and non-target volatile organic compounds (VOCs) in industrial exhaust gas using thermal desorption-gas chromatography-mass spectrometry (TD-GC-MS) has been developed. In this paper, two types of solid phase adsorption column were compared, and the Tenex SS TD Tube was selected. The analytes were enriched into the adsorption tube by constant flow sampling, and detected by TD-GC-MS in full scan mode. Target compounds were quantified by internal standard method, and the quantities of non-target compounds were calculated by response coefficient of toluene. The method detection limits (MDLs) for the 24 VOCs were 1.06 to 5.44 ng, and MDLs could also be expressed as 0.004 to 0.018 mg/m3 assuming that the sampling volume was 300 mL. The average recoveries were in the range of 78.4% to 89.4% with the relative standard deviations (RSDs) of 3.9% to 14.4% (n=7). The established analytical method was applied for the comprehensive screening of VOCs in a waste incineration power plant in Dalian city. Twenty-nine VOCs were identified. In these compounds, only five VOCs were the target compounds set in advance, which accounted for 26.7% of the total VOCs identified. Therefore, this study further proved the importance of screening non-target compounds in the analysis of VOCs in industrial exhaust gas, and has certain reference significance for the complete determination of VOCs distribution.

Rhamnus frangula Honey: Screening of Volatile Organic Compounds and Their Composition After Short-Term Heating

There is no report on the chemical composition of alder buckthorn (Rhamnus frangula L.) honey and therefore volatile organic compounds (VOCs) were investigated for the first time as well as their composition after short-term heating. The electrical conductivity of the samples was 0.90 - 0.98 mScm-1 (specificity of alder buckthorn honey), and pH values were 4.00 - 4.33. The melissopalynological analysis revealed R. frangula L. as dominant plant species (52-93%) in all samples. Accompanying minor plant species were also determined (Castanea sativa L., Centaurea jacea L., Lotus corniculatus L., Prunus spp., Salix spp., Apiaceae, Asteraceae, Acer spp. and Cornus sanguinea L.). The VOCs from R. frangula L. honey were isolated by headspace solid-phase microextraction (HS-SPME) and ultrasonic solvent extraction (USE) and analysed by GC-FID and GC-MS. To investigate the influence of short-term heating, selected sample was heated 3h at 100 oC with and without H2O addition. The most representative chemical profile of R. frangula L. honey is obtained by HS-SPME containing benzaldehyde, hotrienol and 4-ketoisophorone. USE contributed to the honey characterization, mainly by vomifoliol identification. The majority of compounds found in USE were higher aliphatic alcohols. The influence of short-term heating to R. frangula L. honey is strongly dependent on H2O addition. Namely, more artefacts (furan derivatives, particularly 5-hydroxymethylfurfural) were formed during heating of the honey dissolved in H2O in comparison with direct honey heating.

Indoor air quality in hair salons: Screening of volatile organic compounds and indicators based on health risk assessment

Volatile organic compounds (VOCs) are common ingredients in cosmetic products which can impact human health. This study monitored 12 hairdressing salons in order to assess the individual exposure of the people working in or frequenting these environments as well as identify the main products or activities responsible for the presence of these compounds. In each site halogenated, oxygenated, aliphatic and aromatic compounds were monitored during the work week with diffusive samplers suitable for thermal desorption and analysed using GC–MS. The study of indoor–outdoor concentration ratios and a knowledge of the composition of most of the products, whether ecological or traditional, used in the hair salons verified the presence of compounds linked to hairdressing activities. In particular, compounds widely used in products for hair care as spray lacquer and foam (butane), shampoo, balms, hair masks and oils (camphene, camphor, limonene, eucalyptol, alpha pinene, 1-methoxy-2-propanol, n-butanol and menthol), and hair dye (benzyl alcohol, isopropanol, limonene, hexane and methyl ethyl ketone) were found at much higher levels inside rather than outside the salons (mean I/O > 10). The importance of this finding is linked to the potential health hazards of some of the VOCs detected. Integrated indicators of health risk were proposed in this study to assess the criticality level and rank the investigated environments accordingly. The results of this study indicate that the level of VOC concentrations was most affected by the type of products used while the size of the environment, the efficiency of air exchange and the number of customers had less impact on those levels.

Automated dynamic headspace followed by a comprehensive two-dimensional gas chromatography full scan time-of-flight mass spectrometry method for screening of volatile organic compounds (VOCs) in water

This article describes an effective full scan new analytical approach for target and non-target screening of volatile organic compounds (VOCs) in water based on an automatic dynamic headspace (DHS) sampler followed by comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GCxGC-TOF-MS). The operational parameters of DHS having influence on the extraction efficiency of water samples were optimized. The performance of a developed method by DHS-GCxGC-TOFMS was assessed with special attention to the capability of an enhanced separation and reliable identification at a trace concentration level in water. For this purpose, 31 target compounds including non-halogenated, mono-, di-, tri- and tetra-halogenated VOCs were selected. DHS-GCxGC-TOFMS allowed fast and automated analysis of VOCs at a level of parts per trillion, with no matrix interference in the different types of water analyzed (drinking water-tap, and bottled, river water and sea water) and with a minimum sample preparation. Excellent method detection and quantification limits were achieved, ranging from 0.01 to 10 ng L−1 and from 0.02 to 34 ng L−1, respectively. Good linearity (r2 > 0.99), intra and inter-day repeatability (<30%) were obtained for most of the target analytes denoting the suitability of the method for quantifying VOCs and its potential use in a routine setting. This method was successfully applied to real samples. Full mass range TOFMS acquisition allowed for positive identification of both targets, through mass spectral matching to database standards, and non-targeted compounds (dichloroiodomethane and dichloroacetonitrile). Trihalomethanes, tetrachloroethene, benzene, toluene ethylbenzene and xylenes (BTEXs) were the most frequently detected contaminants in the water samples analyzed. Mean concentrations of VOCs ranged from 65–439 ng L−1 in sea water, 29–1626 ng L−1 in bottled water, 17–16 312 ng L−1 in river water and 51–54 460 ng L−1 in tap water. The feasibility of using effective software data was very useful to rapidly sort information about the presence of VOCs in water and pattern recognition.

Screening of volatile organic compounds as a source for indoor pollution

For a considerable period of time the presence of an increasing number of chemicals has been observed in almost all aspects of human life. This process also affects the living and working environment of man. Human development, including physical and mental health and well-being, depends on to a great degree on the surrounding environment. Considering that an average person spends a significant part of his/her life indoors, it is essential to pay more attention to the quality of indoor air. In this study the sources of Volatile Organic Compounds (VOC) in indoor air have been reviewed, with a particular emphasis on building materials and the materials used for finishing works. Moreover, a screening methodology and test chamber protocols are presented, which allow the determination of VOC fluxes from the materials inside the building.

Evaluation of gas chromatography coupled with low pressure plasma source mass spectrometry for the screening of volatile organic compounds in food

A number of ion sources, namely low pressure helium MIPs, and low pressure helium and argon ICPs, coupled to GC and mass spectrometry have been evaluated for the analysis of volatile organic compounds. The most promising of these was the argon LP-ICP-MS. Detection limits of between 7-206 pg monitoring m/z 35 for 35 Cl detection, and between 92-7800 pg monitoring m/z 13 for 13 C detection, were obtained for a range of chlorinated and unchlorinated organic compounds. The potential for determining empirical formulae was demonstrated by an excellent correlation between predicted and measured Cl/C ratios. The technique was successfully used for the headspace analysis of chlorinated and unchlorinated volatile and semi-volatile compounds spiked into olive oil.

Screening of volatile organic compounds in river sediment.

Volatile organic compounds (VOCs), such as trichloroethene, toluene and xylenes have been reported to be detected from river water and sediment, because a part of VOCs charged into river can be distributed to river sediment. Fifty-three common VOCs in water have been simultaneously determined with good accuracy and precision by gas chromatography - mass spectrometry (GC/MS) with headspace method as well as purge-and-trap method. However, simultaneous determination methods for the VOCs in sediment have not been established. Several GC or GOMS methods have been reported to determine some VOCs in sediment, purge-and-trap, distillation, headspace and solvent extraction. Among them headspace GC/MS method appears to be the most appropriate method for screening the VOCs in sediments, because of its simplicity in analytical procedure. Hewitt et al. have reported that headspace method gave no statistically different results from purge-and-trap method for GC/MS determination of four VOCs in soil. Voice and Kolb have reported that headspace GC method gave better results to determine nine VOCs in soil than purge-and-trap method or solvent extraction method followed by headspace. However, headspace analysis of some VOCs in sediments could give insufficient recoveries. This is because VOCs adsorb to sediment. To improve their low recoveries from sediment,more » we have previously used a stable isotope-labeled compound as an internal standard to determine eight chlorinated VOCs. However, this method is not proper for determining simultaneously as many as 53 VOCs with various physical properties. Therefore, we investigate headspace GC/MS method with standard addition method for simultaneous screening of them in sediment. In this paper, we describe effects of a few headspace conditions on the VOC recoveries from sediment, and present screening results of the VOCs in sediments from mouths of rivers and a port in Niigata, Japan. 17 refs., 3 figs., 3 tabs.« less

Air analysis using tenax collection with jet-separator enrichment and ion trap mass spectrometric analysis

A dual adsorbent trap inlet system has been developed for an ion trap mass spectrometer (ITMS) to provide a rapid and sensitive system for screening of volatile organic compounds in air. The system employs three stages of concentration: preconcentration on an adsorbent Tenax trap, focusing in a cryogenic collection trap, and jet separator enrichment immediately prior to analysis by ITMS. Ten minute integrated samples are collected and analyzed immediately. The detection limit is 0. 9 parts-per-trillion by volume (pptrv) based on toluene as the analyte, and the reproducibility is 2% or better. Ambient air was analyzed for toluene on April 4, 1996 in Los Alamos, New Mexico, and concentrations ranged from 11-158 pptrv.