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PubMed2004

An alternative method for predicting organic solute volatilization rates under gas and liquid turbulence.

A method for predicting organic compound volatilization rates under turbulent liquid and gas conditions is developed. The reference compounds are classified according to their physico-chemical properties. The mass transfer coefficient (K(OL)) ratios for organic solutes to the reference compounds are constant for a wide range of environmental conditions, including liquid or air turbulence, or both at once. The obtained results indicate that when the environmental conditions are the same the determination of the volatilization rates is strongly dependent on the solute properties and the chemical structure. The presented method can more effectively estimate the volatilization rates of the solutes than the traditional one under various environmental conditions especially for low volatility solutes. The advantages and disadvantages of the traditional method are also discussed.

Air Movements↗

PubMed2005

Advances and challenges in the identification of volatiles that mediate interactions among plants and arthropods.

The relatively new research field of Chemical Ecology has, over the last two decades, revealed an important role of plant-produced volatile organic compounds (VOCs) in mediating interactions between plants and other organisms. Of particular interest are the volatile blends that plants actively emit in response to herbivore damage. Various efforts are underway to pinpoint the bioactive compounds in these complex blends, but this has proven to be exceedingly difficult. Here we give a short overview on the role of herbivore-induced plant volatiles in interactions between plants and other organisms and we review methods that are currently employed to collect and identify key volatile compounds mediating these interactions. Our perspective on future directions of this fascinating research field places special emphasis on the need for an interdisciplinary approach. Joint efforts by chemists and biologists should not only facilitate the elucidation of crucial compounds, but can also be expected to lead to an exploitation of this knowledge, whereby ecological interactions may be chemically manipulated in order to protect crops and the environment.

Animals↗

PubMed1989

Evaluation of canisters for measuring emissions of volatile organic air pollutants from hazardous waste incineration.

Regulation to control air emissions of toxic organic compounds require the collection and analysis of effluent gas from low level sources such as hazardous waste incinerators. The standard SW-846 Method specifies the use of Tenax and Tenax/charcoal adsorbent traps for collection of volatile organics from incinerators. This study evaluates passivated stainless steel canisters as an alternative to adsorbent traps to eliminate some of the problems associated with adsorbent sampling. Initially the stability of 18 nonpolar, volatile organic compounds was determined in Summa-treated stainless steel canisters with greater than 100 ppmv HCl and saturated with water vapor. All 18 components were stable for a two-week period; however, an interference caused a 10-fold increase in the FID response of trichloroethylene, toluene, and chlorobenzene. No interference of the ECD response was found for any of the 11 compounds detected with the ECD including trichloroethylene. A pilot scale incinerator was sampled using canisters, and the destruction efficiency of 1,1,1-trichloroethane was determined at a concentration of less than 0.5 ppbv while determining 1,1-dichloroethylene, the major product of incomplete combustion, at a concentration of 8000 ppbv from the same sample.

Air Pollutants, Occupational↗

PubMed2006

Gender and age specific differences in exhaled isoprene levels.

The analysis of volatile organic compounds (VOC) in the human breath has attracted a considerable amount of clinical and scientific interest during the last decade. In our study, we turned our attention to gender and age specific differences of exhaled volatile compounds, particularly on isoprene which is one of the most abundant organic molecules found in human exhaled air. A total of 126 test persons were enrolled in the study: 66 females and 60 males. Moreover, the participants were classified into six groups with regard to their age. In a standardized setting all of them had to exhale the endexpiratory breath into a sample bag. The volatile compounds at m/z values from 21 to 229 were analyzed by using proton-transfer-reaction-mass-spectrometry. Isoprene (at m/z 69) was found to be highly significantly (p<0.001) elevated in the exhaled air of male subjects. Furthermore, it could be shown that 19-29 years old subjects exhale significantly lower levels of isoprene than older adults (p=0.002). No significant differences between groups were detected for any other measured mass. In conclusion, the present study demonstrates gender and age specific differences of isoprene levels in the exhaled air. These findings may be of potential clinical relevance regarding the multifaceted roles of isoprene, representing both indicator and effector molecule.

Adult↗

PubMed2001

Biotreatments of odours: control and performances of a biofilter and a bioscrubber.

Biotechnology has been applied to find systems to decrease the level of pollution. The main biological systems used in the deodorisation of waste gases are biofilters, biotrickling filters and bioscrubbers. These technologies work at normal operating conditions of temperature and pressure, and therefore they are relatively cheap with high efficiencies when the waste gas is characterised by high flow and low concentrations of odorous compounds. The aim of this work was to study the influence of different parameters (residence time of the gas phase, pollutant loads) of a biofilter and a bioscrubber on removal efficiencies. Ethanol was used as pollutant compound, because it is representative of both volatile organic compounds and odorous molecules. The performances of the two biological systems are presented and discussed. The use of pressure drop monitoring as a tool to control the operation of a biofilter and to obtain optimal conditions in a bioscrubber is proposed.

Air Pollution↗

PubMed2001

Effects of flue gas composition on the catalytic destruction of chlorinated aromatic compounds with a V-oxide catalyst.

When using catalytic flue gas cleaning, several flue gas compounds may influence oxidation reactions of hazardous volatile organic compounds, possibly leading to lower reaction rates and, thus, to an incomplete destruction. Experimental investigations were performed with regard to the influence of selected flue gas compounds, like hydrogen chloride, sulfur dioxide, oxygen, and water vapour, on the catalytic destruction behavior of chlorobenzenes under flue gas cleaning conditions of an incineration plant. For this purpose, a metal oxide catalyst was operated at different temperatures at a space velocity of 3600 h-1 in a laboratory-scale fixed bed reactor with model flue gases, and with real flue gases generated from the TAMARA waste incineration plant. The results obtained from the studies with model flue gas were analyzed with respect to reaction kinetics. These kinetics were applied for comparison with the experimental data gained in the real flue gas.

Catalysis↗

PubMed2001

Ozone removal in the sampling of parts per billion levels of terpenoid compounds: an evaluation of different scrubber materials.

Some reactive volatile organic compounds (VOCs) are prone to degradation during sampling in an ozone-rich environment. A wide variety of different chemicals have been used to remove the ozone prior to sampling, but the possibility of interference by such chemicals with the sampled VOCs has not been thoroughly examined. In the present investigation, the retention/degradation of four terpenes (alpha-pinene, beta-pinene, 3-carene, and limonene) and isoprene together with some of their oxidation products (alpha-pinene oxide, nopinone, 4-acetyl-1-methylcyclohexene (AMCH), methylglyoxal, and methacrolein) has been studied, using various ozone-removing chemicals in an attempt to evaluate their potential as ozone scrubbers in the sampling of ambient air. The chemicals included in this first screening and their ozone-removing capacity are as follows: KI, MnO2, and Na2SO3 removed ozone for more than 24 h when exposed to 73-78 ppb (150-160 microg/m3) at a sampling flow rate of 500 mL/min. Silanized poly(1,4-phenylene sulfide) (PFS) removed ozone for 5 h, unsilanized PFS removed ozone for 1 h and 50 min, and Na2S2O3 removed ozone for 20 min. The recovery of the selected compounds with the different scrubbers was >95% for all compounds for KI; >95% for the terpenes oxidation products; >90% for the terpenes and isoprene for PFS; >90% for the terpenes and isoprene for MnO2 on copper nets, Na2SO3, and Na2S2O3; and <90% for the terpenes and isoprene for carulite (a commercial mixture between MnO2, CuO, and Al2O3), CuO, and indigo carmine.

Air Pollutants↗

PubMed2005

[Detection of trace organic compounds by using ion mobility spectrometry and SIMPLISMA].

Ion mobility spectrometry (IMS) is a sensitive means for detection of trace volatile organic compounds. This technique has been used as a routine method for some organic compounds in forensic science, environmental and pharmaceutical analysis, etc. SIMPLISMA (simple-to-use-interactive self-modeling mixture analysis) is an effective method for large-scale data processing. In the present work, SIMPLISMA has been applied to process IMS data of three methanephosphonate esters. The SIMPLISMA can retain the peak characteristics and eliminate much of the noises of the IMS measurements. The processed spectral data can be subsequently used for other computations, such as curve resolution and pattern recognition etc.

Chemistry Techniques, Analytical↗

PubMed2002

Assessing exposure to air toxics relative to asthma.

Asthma is a respiratory disease whose prevalence has been increasing since the mid 1970s and that affects more than 14.6 million residents of the United States. Environmental triggers of asthma include air pollutants that are respiratory irritants. Air toxics emitted into the ambient air are listed in the 1990 Clean Air Act Amendments as hazardous air pollutants (HAPs) if they can adversely affect human health, including the respiratory tract. HAPs include particulate and gaseous-phase pollutants, individual organic compounds and metals, and mixtures. Associations between asthma exacerbation and both particles and indoor volatile organic compounds (VOCs), often referred to as indoor air quality, have been reported. Studies conducted in the United States, Canada, and Europe over the past two decades have shown that most people living in the developed countries spend the majority of their time indoors and that the air concentrations of many air toxics or HAPs are higher indoors than in the ambient air in urban, suburban, and rural settings. Elevated indoor air concentrations result from emissions of air toxics from consumer products, household furnishings, and personal activities. The Relationship of Indoor, Outdoor and Personal Air (RIOPA) study was designed to oversample homes in close proximity to ambient sources, excluding residences where smokers lived, to determine the contribution of ambient emissions to air toxics exposure. The ratios of indoor to outdoor air concentrations of some VOCs in homes measured during RIOPA were much greater than one, and for most other VOCs that had indoor-to-outdoor ratios close to unity in the majority of homes, elevated ratios were found in the paired samples with the highest concentration. Thus, although ambient emissions contribute to exposure of some air toxics indoors as well as outdoors, this was not true for all of the air toxics and especially for the higher end of exposures to most volatile organic air toxics examined. It is therefore critical, when evaluating potential effects of air toxics on asthma or other adverse health end points, to determine where the exposure occurs and the source contributions for each air toxic and target population separately and not to rely solely on ambient air concentration measurements.

Air Pollutants↗

PubMed2025

Insights into dill (Anethum graveolens) flavor formation via integrative analysis of chromosomal-scale genome, metabolome and transcriptome.

INTRODUCTION: Dill (Anethum graveolens) is a significant medicinal herb belonging to the Apiaceae family. Owing to its high levels of volatile organic compounds (VOCs), dill is commonly utilized for essential oil extraction and medicine purpose. However, the biosynthesis of the crucial VOC in dill remains obscure. OBJECTIVES: Identify the key VOCs related to the flavor formation in dill and dissect the regulatory mechanism of their synthesis. METHODS: The dill chromosomal-level genome was constructed by PacBio HiFi, Hi-C, and BGISEQ second generation sequencing and assembly. The VOCs in dill leaves were identified through GC-MS. The potential mechanism involved in regulating the VOC accumulation in dill flavor formation was analyzed by multi-omics analysis. RESULTS: A 1.17 Gb chromosome-scale genome of dill with a contig N50 of 10.78 Mb was constructed. A total of 46,538 genes were annotated across 11 assembled chromosomes. Comparative genomics analysis suggested that transposable element insertions, especially LTR-Gypsy, have contributed to the evolution and expansion of the dill genome. The flavor formation of dill was mainly attributed to terpenoids, especially α-phellandrene, β-ocimene, and o-cymene. The contribution of expansion and replication of terpenoid synthesis pathway genes, especially terpene synthase (TPS), to the abundant terpenoid production of dill was identified. Differential gene expression patterns observed at various developmental stages and tissues provided key candidate genes for the regulation of terpenoid synthesis, as well as transcription factors. The different accumulation of esters and aromatics also affected the flavor formation of dill. The key genes implicated in the synthesis of anethole, namely AIS and AMT were further identified. CONCLUSION: This study constructed the chromosome level genome and identified the main VOCs and related key genes in flavor formation of dill, shedding lights on our understanding of terpenoid biosynthesis but also offered guidance for future genetic research on molecular breeding in Anethum graveolens.

Transcriptome↗

PubMed2006

Biodegradability assessment of several priority hazardous substances: choice, application and relevance regarding toxicity and bacterial activity.

Nineteen compounds listed in the category of priority substances (PS) were selected for a biodegradation study using standardized tests. The compounds consist of pesticides, chlorinated solvents and volatile organic compounds (VOCs). In this paper, the choice of the most suitable method is discussed in relation to the physico-chemical properties of each substance. Zahn-Wellens, manometric respirometry and closed-bottle tests are alternatively used. Experimental results are presented and interpreted. Toxicity (Microtox) and bacterial viability (Bac-light) are also used as tools to investigate the influence of each substance on the microbial population (activated sludge). In addition, experimental values are compared with predictive data calculated according to quantitative structure activity relationships (QSARs) models. Biodeg Models were permitted to correctly estimate 17 substances; Survey Models and screening tests also revealed the same behavior for 16 target compounds.

Aliivibrio fischeri↗

PubMed1999

Method for liquid-liquid extraction of blood surrogates for assessing human exposure to jet fuel.

A baseline method of liquid-liquid extraction for assessing human exposure to JP-8 jet fuel was established by extracting several representative compounds ranging from very volatile to semi-volatile organic compounds, including benzene, toluene, nonane, decane, undecane, tridecane, tetradecane and pentadecane, from PBS buffer. Some specific techniques for solvent selection, solvent evaporation, and GC analysis were developed to accommodate this wide range of constituents of JP-8. The application of the established method to the extraction and quantitative analysis of JP-8 from PBS and bovine plasma was demonstrated.

Animals↗

PubMed2026

Integrated assessment of biocontrol potential and genome analysis of endophytic Bacillus velezensis MGL-B1 against mango stem-end rot.

Mango stem-end rot is a globally significant postharvest disease that severely threatens the mango industry, primarily caused by Botryosphaeria dothidea. However, information on biocontrol agents targeting this pathogen in mango remains limited. In this study, we isolated and identified a strain of Bacillus velezensis MGL-B1 from mango leaf tissues for the first time, which exhibited broad-spectrum antifungal activity. Both in vitro and in vivo assays demonstrated that MGL-B1 effectively inhibited the growth of B. dothidea, with an in vivo biocontrol efficacy reaching 83.72 ± 5.10%, comparable to that of the commonly used chemical fungicide thiabendazole. Further mechanistic analysis revealed that MGL-B1 acts by directly disrupting the integrity of the pathogen's mycelial cell membrane. In addition, its released volatile organic compounds (VOCs) also displayed significant antifungal activity, with components such as 2-nonanone, 2-nonanol, and phenylethyl alcohol being confirmed to exert antifungal effects in in vitro fumigation assays. qPCR analysis showed that MGL-B1 treatment significantly upregulated the transcriptional levels of genes involved in plant-pathogen interaction, phenylpropanoid biosynthesis, and antioxidant defense pathways in mango fruits, with upregulation folds of 16.32, 37.19, and 75.93, respectively; meanwhile, the expression of browning-related genes such as polyphenol oxidase (PPO) was markedly suppressed. Whole-genome sequencing further revealed 14 biosynthetic gene clusters for antimicrobial compounds, including five unknown gene clusters. Collectively, B. velezensis MGL-B1 represents a promising biocandidate strain with multiple antifungal mechanisms and excellent control efficacy, providing a valuable resource for green and sustainable management of mango diseases.

Mangifera↗

PubMed2006

Determination of a wide range of volatile and semivolatile organic compounds in snow by use of solid-phase micro-extraction (SPME).

Quantification and transformation of organic compounds are pivotal in understanding atmospheric processes, because such compounds contribute to the oxidative capacity of the atmosphere and drive climate change. It has recently been recognized that chemical reactions in snow play a role in the production or destruction of photolabile volatile organic compounds (VOC). We present an environmentally friendly method for determination of VOC and semi-VOC in snow collected at three sites-remote, urban, and (sub-)arctic. A solid-phase micro-extraction (SPME) procedure was developed and (semi-)VOC were identified by gas chromatography with mass spectrometric detection (GC-MS). A broad spectrum of (semi-)VOC was found in snow samples, including aldehydes, and aromatic and halogenated compounds. Quantification was performed for 12 aromatic and/or oxygenated compounds frequently observed in snow by use of neat standard solutions. The concentrations detected were between 0.12 (styrene and ethylbenzene) and 316 microg L(-1) (toluene) and limits of detection varied between 0.11 (styrene) and 1.93 microg L(-1) (benzaldehyde). These results indicate that the SPME technique presented is a broad but selective, versatile, solvent-free, ecological, economical, and facile method of analysis for (semi-)VOC in natural snow samples.

Journal Article↗

PubMed2026

Multi-omics characterization of flavor profile differences in the Longissimus thoracis between Angus and Hereford cattle.

BACKGROUND: Angus and Hereford cattle are premier breeds widely used in genetic improvement and crossbreeding programs to enhance meat quality, yet the flavor differences between them remain poorly understood. RESULTS: In this study, we performed an integrated analysis using headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry (HS-SPME-GC-MS)-based volatile metabolomics, lipidomics, and untargeted metabolomics to characterize the flavor profiles of the Longissimus thoracis (LT) muscle from both breeds and to identify potential precursor substances underlying flavor formation. In total, we identified 76 differential volatile organic compounds (VOCs) among the 493 candidate VOCs. By combing relative odor activity value (ROAV) and sensory attribute annotation, 2,3-butanedione which may contribute to the creamy aroma was revealed as the core differential VOC between the two breeds. This finding was robustly validated across SHAP (Shapley additive explanations) analysis, KEGG (Kyoto Encyclopedia of Genes and Genomes) pathway enrichment, and flavor annotation. Lipidomic analysis revealed 689 differential lipids primarily belonging to classes such as phosphatidylcholine, triglycerides, and phosphatidylethanolamine. Correlation analysis further linked these lipid profiles to flavor, showing that fatty acids (FAs) including FA(19:0), FA(18:2 + O), FA(14:1), FA(16:1), and FA(14:0) were significantly correlated with 2,3-butanedione. Notably, the unsaturated fatty acids (UFAs) in the Longissimus thoracis (LT) of Hereford cattle exhibited higher double bond content compared to Angus cattle, suggesting a greater potential for rich flavor development. Untargeted metabolomics revealed that nine of the 9474 metabolites were significantly correlated with both 2,3-butanedione and FAs, including norepinephrine, l-beta-aspartyl-l-leucine, and artemetin. CONCLUSIONS: Overall, our research has identified differential flavor compounds and potential precursor substances between Angus cattle and Hereford cattle, providing targeted guidance for breed improvement. © 2026 Society of Chemical Industry.

2,3‐butanedione↗

PubMed2001

In vitro study of the biochemical origin and production limits of odorous compounds in cattle feedlots.

Livestock odors are closely correlated to airborne concentrations of volatile organic compounds (VOC), which are a complex mixture of carbon-, sulfur-, and nitrogen-containing compounds produced primarily during the incomplete anaerobic fermentation of animal manure by microorganisms. Volatile fatty acids, alcohols, and aromatic ring compounds comprise a substantial fraction of VOC, yet very little is known about their biochemical origin and environmental factors controlling their production. The anaerobic production of fermentation products and consumption of substrates (CP, starch, and nonstarch carbohydrate) were analyzed in slurries of fresh (< 24 h) and aged (> 1 d) cattle manure over several weeks. Ethanol, acetate, propionate, butyrate, lactate, and H2 were the major products of fermentation. Aged cattle manure produced twice the concentration of VFA during incubation produced by the fresh manure (P < 0.001). Aromatic compounds (phenols, indoles, and benzoates) remained unchanged in both manures. Production of VFA from fresh manure was inhibited when the pH fell below 4.5. It is likely that the presence of calcareous soil, which has a high buffering capacity, and lactate-consuming microorganisms minimized acidification in the aged manure slurries. Low starch content limited VFA production in the aged manure. Starch was the likely biochemical source for fermentation products in both manures based on the strong negative correlations between fermentation product and starch content (r = -0.944 and -0.773) and ratio of fermentation products produced to starch consumed (r = 0.64 and 0.72) for fresh and aged manure, respectively. Nonstarch carbohydrate served an indeterminate role in the production of fermentation products. Nonstarch carbohydrate decreased by 4.7 and 23.4 g/L in the fresh and aged manure, respectively, whereas the starch content decreased by 18.6 and 22.4 g/L in the fresh and aged manure, respectively. The concentration of CP did not change, which suggests a balance between protein consumption and new bacterial biomass production. We conclude that the types of substrates in cattle manure and the feedlot soils where they are deposited are significant factors in the production of odors.

Animals↗

PubMed2001

Protocol for the determination of selected neutral and acidic semi-volatile organic contaminants in fish tissue.

Progress toward the development of a protocol for the determination of a broad spectrum of organic compounds in fish tissue is reported. Finely ground and homogenized fish tissue samples were Soxhlet extracted. Phenolic compounds in the extracts were acetylated and the derivatized extract containing the acetates and neutral semi-volatiles was cleaned up with silica gel and size-exclusion column chromatography. These semi-volatile organic compounds were determined by gas chromatography-mass spectrometry. The method is evaluated for recovery and precision of selected analytes during the analysis of over 300 fish tissue samples of varying species in support of contaminant determination in fish tissue from the Columbia/Snake River watershed.

Animals↗

PubMed2026

Three-dimensional source apportionment and quantitative characterization of horizontal and vertical transport fluxes of O3 and its precursors in the Beijing-Tianjin-Hebei region, China.

Persistent surface ozone (O3) pollution in the Beijing-Tianjin-Hebei (BTH) region is driven by coupled precursor emissions and multi-scale transport, yet its altitude-dependent transport and source contributions remain insufficiently quantified. Here we integrated the Weather Research and Forecasting and the Comprehensive Air Quality Model with Extensions with the Ozone Source Apportionment Technology and a quantitative transport-flux framework to characterize three-dimensional source apportionment and horizontal/vertical fluxes of O3, Volatile Organic Compounds‌ (VOCs), and Nitrogen Oxides (NOx) across dynamic meteorological scenarios. Simulations showed that VOCs and NOx were dominated by local emissions near the surface (73.61 %-82.18 %), whereas surface O3 was primarily controlled by regional transport, with local contributions of only 11.01 %-13.75 %. Notably, the transport dominance further strengthened with altitude, exceeding 93 % at 1.8 km. Industrial and transportation emissions together contributed more than 75 % of precursor emissions and account for approximately 80 % of O3 formation, while favorable/unfavorable meteorological years modulated long-range transport efficiency and the vertical distribution of contributions. Horizontal flux analysis highlighted three major pathways (Northwest-Southeast, Southeast-Northwest, and Southwest-Northeast), with Shijiazhuang serving as a critical pollutant "sink" across altitude layers. Vertical fluxes revealed an altitude transition near 600 m: net downward transport dominated below 600 m, whereas enhanced summer convection promoted upward transport above 600 m. These results support altitude-dependent, scenario-specific strategies for coordinated regional O3 mitigation in the BTH region.

Ozone↗