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PubMed2006

Priming by airborne signals boosts direct and indirect resistance in maize.

Plants counteract attack by herbivorous insects using a variety of inducible defence mechanisms. The production of toxic proteins and metabolites that instantly affect the herbivore's development are examples of direct induced defence. In addition, plants may release mixtures of volatile organic compounds (VOCs) that indirectly protect the plant by attracting natural enemies of the herbivore. Recent studies suggest that these VOCs can also prime nearby plants for enhanced induction of defence upon future insect attack. However, evidence that this defence priming causes reduced vulnerability to insects is sparse. Here we present molecular, chemical and behavioural evidence that VOC-induced priming leads to improved direct and indirect resistance in maize. A differential hybridization screen for inducible genes upon attack by Spodoptera littoralis caterpillars identified 10 defence-related genes that are responsive to wounding, jasmonic acid (JA), or caterpillar regurgitant. Exposure to VOCs from caterpillar-infested plants did not activate these genes directly, but primed a subset of them for earlier and/or stronger induction upon subsequent defence elicitation. This priming for defence-related gene expression correlated with reduced caterpillar feeding and development. Furthermore, exposure to caterpillar-induced VOCs primed for enhanced emissions of aromatic and terpenoid compounds. At the peak of this VOC emission, primed plants were significantly more attractive to parasitic Cotesia marginiventris waSPS. This study shows that VOC-induced priming targets a specific subset of JA-inducible genes, and links these responses at the molecular level to enhanced levels of direct and indirect resistance against insect attack.

Animals↗
PubMed1992

Human activities as sources of volatile organic compounds in residential environments.

The objectives of the present work were to investigate techniques for the continuous, qualitative monitoring of VOCs and to see how VOC levels were influenced by normal household activities. Three different methods were investigated to measure the VOC levels: infrared spectroscopy, photoionization detection, and gas chromatographic analysis of absorbent tube samples. Results were presented that related changes in levels of VOCs to various human activities commonly occurring in residences, and data were presented that indicated activities such as cooking, arts and crafts, cleaning floors, and painting contributed to short-term increases in VOC levels. VOC levels were diminished by turning on the air conditioner. Results on the effect of humidity on VOCs, both in homes and controlled chambers, were reported.

Air Conditioning↗
PubMed2006

A cancer risk assessment of inner-city teenagers living in New York City and Los Angeles.

BACKGROUND: The Toxics Exposure Assessment Columbia-Harvard (TEACH) project assessed exposures and cancer risks from urban air pollutants in a population of high school teenagers in New York City (NYC) and Los Angeles (LA). Forty-six high school students participated in NYC and 41 in LA, most in two seasons in 1999 and 2000, respectively. METHODS: Personal, indoor home, and outdoor home 48-hr samples of volatile organic compounds (VOCs), aldehydes, particulate matter with aerodynamic diameter < or = 2.5 microm, and particle-bound elements were collected. Individual cancer risks for 13 VOCs and 6 particle-bound elements were calculated from personal concentrations and published cancer unit risks. RESULTS: The median cumulative risk from personal VOC exposures for this sample of NYC high school students was 666 per million and was greater than the risks from ambient exposures by a factor of about 5. In the LA sample, median cancer risks from VOC personal exposures were 486 per million, about a factor of 4 greater than ambient exposure risks. The VOCs with the highest cancer risk included 1,4-dichlorobenzene, formaldehyde, chloroform, acetaldehyde, and benzene. Of these, benzene had the greatest contributions from outdoor sources. All others had high contributions from indoor sources. The cumulative risks from personal exposures to the elements were an order of magnitude lower than cancer risks from VOC exposures. CONCLUSIONS: Most VOCs had median upper-bound lifetime cancer risks that exceeded the U.S. Environmental Protection Agency (EPA) benchmark of 1 x 10-6 and were generally greater than U.S. EPA modeled estimates, more so for compounds with predominant indoor sources. Chromium, nickel, and arsenic had median personal cancer risks above the U.S. EPA benchmark with exposures largely from outdoors and other microenvironments. The U.S. EPA-modeled concentrations tended to overestimate personal cancer risks for beryllium and chromium but underestimate risks for nickel and arsenic.

Adolescent↗
PubMed2006

Volatile organic compounds and pulmonary function in the Third National Health and Nutrition Examination Survey, 1988-1994.

BACKGROUND: Volatile organic compounds (VOCs) are present in much higher concentrations indoors, where people spend most of their time, than outdoors and may have adverse health effects. VOCs have been associated with respiratory symptoms, but few studies address objective respiratory end points such as pulmonary function. Blood levels of VOCs may be more indicative of personal exposures than are air concentrations; no studies have addressed their relationship with respiratory outcomes. OBJECTIVE: We examined whether concentrations of 11 VOCs that were commonly identified in blood from a sample of the U.S. population were associated with pulmonary function. METHODS: We used data from 953 adult participants (20-59 years of age) in the Third National Health and Nutrition Examination Survey (1988-1994) who had VOC blood measures as well as pulmonary function measures. Linear regression models were used to evaluate the relationship between 11 VOCs and measures of pulmonary function. RESULTS: After adjustment for smoking, only 1,4-dichlorobenzene (1,4-DCB) was associated with reduced pulmonary function. Participants in the highest decile of 1,4-DCB concentration had decrements of -153 mL [95% confidence interval (CI) , -297 to -8] in forced expiratory volume in 1 sec and -346 mL/sec (95% CI, -667 to -24) in maximum mid-expiratory flow rate, compared with participants in the lowest decile. CONCLUSIONS: Exposure to 1,4-DCB, a VOC related to the use of air fresheners, toilet bowl deodorants, and mothballs, at levels found in the U.S. general population, may result in reduced pulmonary function. This common exposure may have long-term adverse effects on respiratory health.

Adult↗
PubMed2005

Characterization of infrared chemical sensors modified with ZnO nanowires for the detection of volatile organic compounds.

In this paper we describe the application and characterization of zinc oxide (ZnO) nanowires in an infrared (IR) chemical sensing system for the detection of volatile organic compounds (VOCs). Under suitable conditions, we grew ZnO nanowires on the surfaces of IR internal reflection elements (IREs) and obtained successful results for the detection of VOCs. ZnO nanowires offer a large surface area to effectively adsorb the examined species; the sensitivity of these IR sensing systems was increased by 3- to 15-fold after surface treatment with the ZnO nanowires. To explore the performance of this type of sensor, we correlated the morphologies of the ZnO nanowires grown on the surfaces of the IREs with the adsorption behavior observed during the sensing of the VOCs. To characterize the properties of the ZnO nanowires during the detection of VOCs having a range of functionalities, we classified the VOCs and examined their enrichment factors by comparing the IR signals detected in the presence and absence of the ZnO nanowires. Our results indicate that the ZnO nanowires exhibited better performance for the detection of aromatic-type VOCs than they did for non-aromatic compounds. For quantitative analyses, we examined several compounds for their responses toward varying quantities of injected VOCs. Our results indicate that the IREs treated with ZnO nanowires display acceptable linearity in their standard curves; the linear regression coefficients were higher than 0.995 for a range of volatile compounds.

Journal Article↗
PubMedDate not supplied

Correlation of human olfactory responses to airborne concentrations of malodorous volatile organic compounds emitted from swine effluent.

Direct multicomponent analysis of malodorous volatile organic compounds (VOCs) present in ambient air samples from 29 swine (Sus scrofa) production facilities was used to develop a 19-component artificial swine odor solution that simulated olfactory properties of swine effluent. Analyses employing either a human panel consisting of 14 subjects or gas chromatography were performed on the air stream from an emission chamber to assess human olfactory responses or odorant concentration, respectively. Analysis of the olfactory responses using Fisher's LSD statistics showed that the subjects were sensitive to changes in air concentration of the VOC standard across dilutions differing by approximately 16%. The effect of chemical synergisms and antagonisms on human olfactory response magnitudes was assessed by altering the individual concentration of nine compounds in artificial swine odor over a twofold concentration range while maintaining the other 18 components at a constant concentration. A synergistic olfactory response was observed when the air concentration of acetic acid was increased relative to the concentration of other VOC odorants in the standard. An antagonistic olfactory response was observed when the air concentration of 4-ethyl phenol was increased relative to the other VOC odorants in the standard. The collective odorant responses for nine major VOCs associated with swine odor were used to develop an olfactory prediction model to estimate human odor response magnitudes to swine manure odorants through measured air concentrations of indicator VOCs. The results of this study show that direct multicomponent analysis of VOCs emitted from swine effluent can be applied toward estimating perceived odor intensity.

Animals↗
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&#xa0;Gb chromosome-scale genome of dill with a contig N50 of 10.78&#xa0;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 &#x3b1;-phellandrene, &#x3b2;-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↗
PubMed1990

Dual projections of secondary vestibular axons in the medial longitudinal fasciculus to extraocular motor nuclei and the spinal cord of the squirrel monkey.

Recordings were made from secondary vestibular axons in the medial longitudinal fasciculus (MLF) of barbiturate-anesthetized squirrel monkeys. Antidromic stimulation techniques were used to identify the axons as belonging to one of three classes of neurons: vestibulo-oculo-collic (VOC) neurons project both to the extraocular motor nuclei and to the spinal cord; vestibulo-ocular (VO) neurons do not have a spinal projection; and vestibulocollic (VC) neurons do not have an oculo-motor projection. Galvanic stimulation was used to show that axons of all three classes received excitatory inputs from one labyrinth and inhibitory inputs from the other. VOC axons were confined to the MLF contralateral to the labyrinth from which they were excited. They made up more than half of the vestibular axons descending in the contralateral medial vestibulospinal tract (MVST), but less than one-quarter of those ascending in the contralateral MLF to the level of the oculomotor nucleus. Spinal projections were restricted to cervical segments with about half of the axons reaching segment C6. Conduction velocities, measured for C6-projecting axons, were similar for VOC and VC axons and were typically 25-50 m/s. Unlike the situation in the rabbit (Akaike et al. 1973) and cat (Akaike 1983), none of the MVST axons had conduction velocities greater than 75 m/s. The morphology of VOC neurons was studied by injection of horseradish peroxidase (HRP) into 60 physiologically identified axons in the MLF. Since individual axons were only stained for short distances, it was not possible to ascertain their complete branching patterns. Labeled fibers could be traced to an origin in and around the ventral lateral vestibular nucleus. This localization was confirmed by comparing the distributions within the vestibular nuclei of neurons retrogradely labeled from the upper cervical spinal cord (this study) and from the oculomotor nucleus (McCrea et al. 1987a; Highstein and McCrea 1988). VOC axons reached the contralateral MLF at the level of the abducens nucleus and immediately divided into an ascending and a descending, usually thicker, branch. Seven VOC axons could be traced to the extraocular motor nuclei; three terminated in the medial aspect of the oculomotor nucleus bilaterally and four terminated in the medial aspect of the contralateral abducens nucleus. The former axons may be part of a crossed, excitatory anterior-canal pathway; the latter, part of a similar horizontal-canal pathway. There were no terminations in the trochlear nucleus even though 12 labeled fibers passed close to it.(ABSTRACT TRUNCATED AT 400 WORDS)

Animals↗
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↗
PubMed2006

Determination of complex mixtures of volatile organic compounds in ambient air: an overview.

This article reviews developments in the sampling and analysis of volatile organic compounds (VOCs) in ambient air since the 1970s, particularly in the field of environmental monitoring. Global monitoring of biogenic and anthropogenic VOC emissions is briefly described. Approaches used for environmental monitoring of VOCs and industrial hygiene VOC exposure assessments are compared. The historical development of the sampling and analytical methods used is discussed, and the relative advantages and disadvantages of sorbent and canister methods are identified. Overall, there is considerable variability in the reliability of VOC estimates and inventories. In general, canister methods provide superior precision and accuracy and are particulary useful for the analysis of complex mixtures of VOCs. Details of canister methods are reviewed in a companion paper.

Adsorption↗
PubMed2002

Biodegradation of volatile organic compounds by five fungal species.

Five fungal species, Cladosporium resinae (ATCC 34066), Cladosporium sphaerospermum (ATCC 200384), Exophiala lecanii-corni (CBS 102400), Mucor rouxii (ATCC 44260), and Phanerochaete chrysosporium (ATCC 24725), were tested for their ability to degrade nine compounds commonly found in industrial off-gas emissions. Fungal cultures inoculated on ceramic support media were provided with volatile organic compounds (VOCs) via the vapor phase as their sole carbon and energy sources. Compounds tested included aromatic hydrocarbons (benzene, ethylbenzene, toluene, and styrene), ketones (methyl ethyl ketone, methyl isobutyl ketone, and methyl propyl ketone), and organic acids ( n-butyl acetate, ethyl 3-ethoxypropionate). Experiments were conducted using three pH values ranging from 3.5 to 6.5. Fungal ability to degrade each VOC was determined by observing the presence or absence of visible growth on the ceramic support medium during a 30-day test period. Results indicate that E. lecanii-corni and C. sphaerospermum can readily utilize each of the nine VOCs as a sole carbon and energy source. P. chrysosporium was able to degrade all VOCs tested except for styrene under the conditions imposed. C. resinae was able to degrade both organic acids, all of the ketones, and some of the aromatic compounds (ethylbenzene and toluene); however, it was not able to grow utilizing benzene or styrene under the conditions tested. With the VOCs tested, M. rouxiiproduced visible growth only when supplied with n-butyl acetate or ethyl 3-ethoxypropionate. Maximum growth for most fungi was observed at a pH of approximately 5.0. The experimental protocol utilized in these studies is a useful tool for assessing the ability of different fungal species to degrade gas-phase VOCs under conditions expected in a biofilter application.

Air Pollutants↗
PubMed2006

Muscodor albus and its biological promise.

We have found a novel fungal genus that produces extremely bioactive volatile organic compounds (VOCs). This fungal isolate was initially discovered as an endophyte in Cinnamomum zeylanicum in a botanical garden in Honduras. This endophytic fungus, Muscodor albus, produces a mixture of VOCs that are lethal to a wide variety of plant and human pathogenic fungi and bacteria. It is also effective against nematodes and certain insects. The mixture of VOCs has been analyzed using GC/MS and consists primarily of various alcohols, acids, esters, ketones, and lipids. Final verification of the identity of the VOCs was carried out by using artificial mixtures of the putatively identified compounds and showing that the artificial mixture possessed the identical retention times and mass spectral qualities as those of the fungal derived substances. Artificial mixtures of the VOCs nicely mimicked the biological effects of the fungal VOCs when tested against a wide range of fungal and bacterial pathogens. Potential applications for "mycofumigation" by M. albus are currently being investigated and include uses for treating various plant parts, and human wastes. Another promising option includes its use to replace methyl bromide fumigation as a means to control soil-borne plant diseases.

Anti-Bacterial Agents↗
PubMed2006

Distribution of volatile organic compounds in ambient air of Kaohsiung, Taiwan.

Automobile emissions have created a major hydrocarbon pollution problem in the ambient air of Taiwan. The aim of this study was to determine the volatile organic compounds (VOCs) in the ambient air of Kaohsiung, Taiwan. The spatial distribution, temporal variation, and correlations of VOCs at three study sites, selected based on traffic densities and distances from a freeway, were discussed. Sixty-four hydrocarbons were identified in the ambient air. Among all of the VOC species, acetone, aromatic and aliphatic compounds constituted the major constituents. Higher concentrations of VOCs existed further away from major arteries as compared to those found near the freeway. Therefore, the distance from the freeway may not be a sufficient index for reflecting actual air quality in the study area. Weather conditions, wind speed and direction did not affect the distribution of VOC concentrations in the three study sites. Other factors, such as the height and density of buildings, traffic conditions or commercial activities, might affect the distribution of VOCs.

Air↗
PubMed2006

Location and characterization of emission sources for airborne volatile organic compounds inside a refinery in Taiwan.

This study aimed to locate VOC emission sources and characterized their emitted VOCs. To avoid interferences from vehicle exhaust, all sampling sites were positioned inside the refinery. Samples, taken with canisters, were analyzed by GC-MS according to TO-14 method. The survey period extended from Febrary 2004 to December 2004, sampling twice per season. To interpret a large number of VOC data was a rather difficult task. This study featured using ordinary application software, Excel and Surfer, instead of expensive one like GIS, to overcome it. Consolidating data into a database on Excel facilitated retrieval, statistical analysis and presentation in the form of either table or graph. The cross analysis of the data suggested that the abundant VOCs were alkanes, alkenes, aromatics and cyclic HCs. Emission sources were located by mapping the concentration distribution of these four types of VOCs in terms of contour maps on Surfer. During eight surveys, five emission sources were located and their VOCs were characterized.

Air Pollutants↗
PubMed2006

Volatile foraging kairomones in the littoral zone: attraction of an herbivorous freshwater gastropod to algal odors.

Volatile organic compounds (VOCs) produced by algae and cyanobacteria are primarily responsible for odors in fresh waters. Among other functions, VOCs may serve as important infochemicals in biofilms of benthic primary producers. VOCs liberated by benthic, mat-forming cyanobacteria can be used as habitat-finding cues by insects, nematodes, and possibly other organisms. We developed a new gastropod behavioral assay that allows detection of food preference without offering food, thus allowing the distinction between taste, which requires direct contact with the food source, and the detection of odorous infochemicals, which work over distance. We demonstrated that VOCs released from disintegrated cells of a benthic, mat-forming, green alga (Ulothrix fimbriata) are food-finding cues ("foraging kairomones") that attract the herbivorous freshwater snail Radix ovata. A mixture of three C5 lipoxygenase compounds and 2(E),4(E)-heptadienal that mimic the major VOCs released by U. fimbriata attracted the snails, whereas neither the mixture of C5 compounds nor 2(E),4(E)-heptadienal were effective when given alone. This study suggests that VOCs can play a steering role as infochemicals in freshwater benthic habitats, as has been established for many organismic interactions in terrestrial ecosystems.

Adsorption↗
PubMed2004

Evaluation of multi-walled carbon nanotubes as an adsorbent for trapping volatile organic compounds from environmental samples.

A type of purified multi-walled carbon nanotubes (PMWCNTs) prepared by catalytic decomposition of methane, with a surface area of 98 m2/g, was evaluated as an adsorbent used for tapping volatile organic compounds (VOCs). The performance in evaluation was based on breakthrough volumes (BTVs) and recoveries of selected VOCs. PMWCNTs were also used as a trap packing material to adsorb VOCs purged from spiked water sample. Due to their porous structure, PMWCNTs were found to have much higher BTVs than that of Carbopack B, a graphitized carbon black with the same surface area as PMWCNTs. The recoveries of the tested VOCs trapped on PMWCNTs ranged from 80 to 110%, and not affected by the humidity of purge gas. The results indicate that PMWCNTs are a potential useful adsorbent for direct trapping VOCs from air samples and may be a supplement to VOCARB 3000, a commercially available trap, in purge-and-trap system to preconcentrate VOCs from water samples.

Adsorption↗
PubMed1998

Effect of high irradiance and iron on volatile odour compounds in the cyanobacterium Microcystis aeruginosa.

The cyanobacterium, Microcystis aeruginosa was exposed to direct sunlight for 3, 6 or 9 h in media containing either low or high concentrations of iron, in order to determine any effects on the composition of volatile odour compounds (VOCs) released under photooxidative conditions. The most abundant VOCs detected included aliphatic hydrocarbons (C15-C21), naphthalene and the terpenoid compounds, beta-cyclocitral, and beta-ionone. Exposure to sunlight and low iron concentrations resulted in a decrease in beta-cyclocitral, beta-ionone, heptadecane and the total VOCs concentration after 9 h with respect to the control cultures. Six VOCs detected in the low iron cells were not detected in any of the high iron cells. However, those VOCs present in the high iron cells, in general, occurred at higher concentrations than the equivalent low iron cells after exposure to the sunlight conditions. Consequently, it was concluded that exposure to both high irradiance and high iron concentrations influenced the VOCs composition in cyanobacteria and this was interpreted to represent a cellular change during the photooxidation-promoting conditions.

Hydrocarbons↗
PubMed2003

Quantitative structure-property relationships for physiologically based pharmacokinetic modeling of volatile organic chemicals in rats.

The objective of present study was to develop quantitative structure-property relationships (QSPRs) for the chemical-specific input parameters of rat physiologically based pharmacokinetic (PBPK) models (i.e., blood:air partition coefficient (P(b)), liver:air partition coefficient (P(l)), muscle:air partition coefficient (P(m)), fat:air partition coefficient (P(f)), and hepatic clearance (CL(h))), for simulating the inhalation pharmacokinetics of volatile organic chemicals (VOCs). The literature data on P(b), P(l), P(f), and P(m) for 46 low-molecular-weight VOCs as well as CL(h) for 25 such VOCs primarily metabolized by CYP2E1 (alkanes, haloalkanes, haloethylenes, and aromatic hydrocarbons) were analysed to develop QSPRs. The QSPRs developed in this study were essentially multilinear additive models, which imply that each fragment in the molecular structure has an additive and constant contribution to partition coefficients and hepatic clearance. Most of the values in the calibration set could be reproduced adequately with the QSPR approach, which involved the calculation of the sum of the frequency of occurrence of fragments (CH(3), CH(2), CH, C, C=C, H, Cl, Br, F, benzene ring, and H in benzene ring structure) times the fragment-specific contributions determined in this study. The QSPRs for P(b), P(l), P(m), P(f), and CL(h) were then included within a PBPK model, which only required the specification of the frequency of occurrence of fragments in a molecule along with exposure concentration and duration as input for conducting pharmacokinetic simulations. This QSPR-PBPK model framework facilitated the prediction of the inhalation pharmacokinetics of four VOCs present in the calibration dataset (toluene, dichloromethane, trichloroethylene, and 1,1,1-trichloroethane) and four VOCs that were not part of the calibration set (1,2,4-trimethyl benzene, ethyl benzene, 1,3-dichloropropene, and 2,2-dichloro-1,1,1-trifluoroethane) but that could be described using the molecular fragments investigated in the present study. The QSPRs developed in this study should be potentially useful for providing a first-cut evaluation of the inhalation pharmacokinetics of VOCs prior to experimentation, as long as the number and nature of the fragments do not exceed the ones in the calibration dataset used in this study.

Animals↗