Molecular Weight Volatile Organic Compounds Research Articles

Detection of medically relevant volatile organic compounds with graphene field-effect transistors and separated by low-frequency spectral and time signatures.

Exhaled human breath contains a mixture of gases including nitrogen, oxygen, carbon dioxide, water vapour and low molecular weight volatile organic compounds (VOCs). Different VOCs detected in human breath condensate have been recently related to several metabolic processes occurring inside body tissues in the pathological state, as candidate biomarkers for monitoring conditions such as lung injury, airway inflammation, immunity dysfunction, infection, and cancer. Current techniques for detecting these compounds include several types of mass spectroscopy, which are highly costly, time-consuming and dependent on trained personnel for sample analysis. The need for fast and label-free biosensors is paving the way towards the design of novel and portable electronic devices for point-of-care diagnosis with VOCs such as E-noses, and based on the measurement of signal signatures derived from their chemical composition. In this paper, we propose a device for VOC detection that was tested inside a controlled gas flow setup, resorting to graphene field-effect transistors (GFETs). Electrical measurements from graphene directly exposed to nitrogen plus VOC vapours involved cyclic measurements for the variation of graphene's resistance and low-frequency spectral noise in order to obtain distinctive signatures of the tested compounds in the time and frequency domains related, respectively, to Gutmann's theory for donor-acceptor chemical species and spectral sub-band analysis.

Characteristics of the Low Molecular Weight Metabolome of Potamogeton Natans L. (Potamogetonaceae) from Lakes of Different Trophic State (Karelian Isthmus, Northwest Russia)

The qualitative and quantitative component composition of low molecular weight volatile organic compounds (VOCs) of the essential oil of the floating-leaf pondweed (Potamogeton natans L., Potamogetonaceae family) growing in various lakes of the Karelian Isthmus (North-West of the Russian Federation) in the fruiting stage was investigated in detail for the first time by gas chromatography-mass spectrometry. The low molecular weight metabolome (LMWM) of P. natans contained 138 components, 128 of which were identified. VOCs belonging to esters, alcohols, and various functional groups dominated the LMWM of floating leaf pondweed from mesotrophic and eutrophic lakes. A significant similarity was found between the component composition of VOCs of floating leaf pondweed from mesotrophic and eutrophic lakes. Many of the substances found in the LMWM of P. natans can be attributed to biologically active compounds. This opens up prospects for the use of this plant (particularly manool and ecdysteroids from its LMWM) for various economic applications as a valuable natural raw material. Due to the characteristic of the floating leaf pondweed's substantial resistance of its LMWM to the factor of the trophic status of the lakes, it is feasible to use it as an ecological indicator of significant disruptions in aquatic environments.

Evaluation of selected solid adsorbents for passive sampling of atmospheric oil and natural gas non-methane hydrocarbons

ABSTRACT This project investigated passive adsorbent sampling of light (C2-C5) hydrocarbons which are sensitive tracers of fugitive emissions from oil and natural gas (O&NG) sources. Stronger adsorbent materials, i.e. Carboxen 1000 and Carboxen 1016, than those typically used in adsorbent sampling were considered. Experiments were conducted in laboratory and field settings using thermal desorption – gas chromatography analysis. Uptake of water vapor and system blanks were challenges inherent to the increased affinity of these adsorbents. Carboxen 1000 exhibited the best signal-to-noise ratio for the target compounds after optimizing conditioning parameters to reduce blanks, and by reducing the adsorbent mass loaded in the cartridge. This strategy reduced blanks to equivalent ambient air mole fractions of <0.05 nmol mol−1 (ppb), and allowed determination of these O&NG tracers over three-day sampling intervals with a lower detection limit of ≥0.5–1 ppb. Linear VOCs uptake was observed in dry air. Water uptake was as high as 0.65 gH2O g−1 adsorbent at relative humidity (RH) above ≈ 75%. The water collection passivates adsorbent sites and competes with the uptake rates of VOCs; under the worst case relative humidity level of 95% RH, VOCs uptake rates dropped to 27–39% of those in dry air. This effect potentially causes results to be biased low when cartridges are deployed at high relative humidity (RH), including overnight, when RH is often elevated over daytime levels. Nonetheless, representative sampling results were obtained under ambient conditions during three field studies where cartridges were evaluated alongside whole air sample collection in canisters. Agreement varied by compound: Ethane and alkenes correlated poorly and could not be analyzed with satisfactory results; results for C3-C5 alkanes were much better: i-butane correlated with R2 > 0.5, and propane, n-butane, i-pentane, and n-pentane with R2 > 0.75, which demonstrates the feasibility of the passive sampling of these latter O&NG tracers. Implications: Oil and natural gas development has been associated with emissions of petroleum hydrocarbons that impact air quality and human health. This research characterizes and defines the application possibilities of solid adsorbent sampling for atmospheric passive sampling monitoring of low molecular weight volatile organic compounds (i.e. ethane through pentane isomers) that are most commonly emitted from natural gas drilling and well sites. The passive sampling of these pollutants offers a simple, low cost, and readily applicable monitoring method for assessing emissions and air quality impacts in the surroundings of oil and gas operations.

New methodologies for the detection, identification, and quantification of microplastics and their environmental degradation by-products

Sampling, separation, detection, and characterization of microplastics (MPs) dispersed in natural water bodies and ecosystems is a challenging and critical issue for a better understanding of the hazards for the environment posed by such nearly ubiquitous and still largely unknown form of pollution. There is still the need for exhaustive, reliable, accurate, reasonably fast, and cost-efficient analytical protocols allowing the quantification not only of MPs but also of nanoplastics (NPs) and of the harmful molecular pollutants that may result from degrading plastics. Here a set of newly developed analytical protocols, integrated with specialized techniques such as pyrolysis-gas chromatography-mass spectrometry (Py-GC/MS), for the accurate and selective determination of the polymers most commonly found as MPs polluting marine and freshwater sediments are presented. In addition, the results of an investigation on the low molecular weight volatile organic compounds (VOCs) released upon photo-oxidative degradation of microplastics highlight the important role of photoinduced fragmentation at a molecular level both as a potential source of hazardous chemicals and as accelerators of the overall degradation of floating or stranded plastic debris.

Anti-fungal secondary metabolites and hydrolytic enzymes from rhizospheric bacteria in crop protection: a review

Plant growth promoting rhizobacteria (PGPR) residing in soil rhizosphere provide enormous beneficial effects to a plant host producing diverse secondary metabolites and enzymes useful for plant growth and protection. Siderophores, antibiotics, volatile compounds and hydrolytic enzymes are the major molecules secreted by the PGPRs, which have substantial antifungal properties and can provide plant protection. These compounds are responsible for the lysis and hyperparasitism of antagonists against deleterious fungal pathogens. Siderophore-producing PGPRs function by depriving the pathogen of iron nutrition. Antibiotics have been reported to be involved in the suppression of different fungal pathogens by inducing fungistasis, inhibition of spore germination, lysis of fungal mycelia. The PGPRs also secrete a wide range of low molecular weight volatile organic compounds (VOCs) that inhibit mycelial growth, sporulation, germination of phytophathogenic fungi, etc. Hydrolytic enzymes, mostly chitinase, protease and cellulose, lyse the cell wall of fungi. Therefore, plant growth-promoting rhizobacteria can be considered as an effective, eco-friendly, and sustainable replacement to the chemical fungicides. There are many PGPRs that perform very well in controlled conditions but not in field conditions, and hence the commercializing of hese products is not easy. Development of formulations with increased shelf life, a broad spectrum of action and consistent performance under field conditions can pave the way for commercializing the PGPRs at a faster rate.&#x0D; Journal of Bangladesh Academy of Sciences, Vol. 44, No. 2, 69-84, 2020

CMOS compatible nanoscale thermal conductivity detector for gas sensing applications

We present a nanofabricated Thermal Conductivity Detector (nano-TCD), designed to be monolithically integrated with a CMOS technology compatible NEMS, in order to widen its analyte spectrum in the low molecular weight volatile organic compounds range. The nano-TCD uses arrays of silicon nano-wires, with 220nm×250nm cross sections and 2μm suspension gap over the silicon bulk. In order to filter out the 1/f flicker noise produced by the silicon nanowires, we used a signal modulation technique based on the 3ω method, thanks to the fast response time of the nano-TCD. Experimental results demonstrate detection of pentane and butane with a limit of detection of 60ppm and 70ppm respectively (mole fraction).

Enzymatic production and emission of floral scent volatiles in Jasminum sambac

Floral scent composed of low molecular weight volatile organic compounds. The sweet fragrance of any evening blooming flower is dominated by benzenoid and terpenoid volatile compounds. Floral scent of Jasminum sambac (Oleaceae) includes three major benzenoid esters – benzylacetate, methylbenzoate, and methylsalicylate and three major terpene compounds viz. (E)-β-ocimene, linalool and α-farnesene. We analyzed concentrations and emission rates of benzenoids and terpenoids during the developmental stages of J. sambac flower. In addition to spatial emission from different floral parts, we studied the time-course mRNA accumulations of phenylalanine ammonia-lyase (PAL) and the two representative genes of terpenoid pathway, namely 1-deoxy-d-xylulose 5-phosphate reductoisomerase (DXR) and terpene synthase (TPS). Further, in vitro activities of several enzymes of phenylpropanoid/benzenoid pathway viz., PAL and acetyl-coenzyme A: benzylalcohol acetyltransferase (BEAT), S-adenosyl-l-methionine: benzoic acid carboxyl methyl transferase (BAMT) and S-adenosyl-l-methionine: salicylic acid carboxyl methyltransferase (SAMT) were studied. All the above enzyme activities along with the in vitro activities of DXR and TPS were found to follow a certain rhythm as observed in the emission of different benzenoid and terpenoid compounds. Linalool emission peaked after petal opening and coincided with maximal expression of JsTPS gene as evidenced from RT-PCR analyses (semi-quantitative). The maximum transcript accumulation of this gene was observed in flower petals, indicating that the petals of J. sambac flower play an important role as a major contributor of volatile precursors. The transcripts accumulation of JsDXR and JsTPS in different developmental stages and in different floral part showed that emissions of terpenoid volatiles in J. sambac flower are partially regulated at transcription levels.

Metabolite profiling of the ripening ofMangoes Mangifera indica L. cv. 'Tommy Atkins' by real-time measurement of volatile organic compounds.

Real-time profiling of mango ripening based on proton transfer reaction-time of flight-mass spectrometry (PTR–ToF–MS) of small molecular weight volatile organic compounds (VOCs), is demonstrated using headspace measurements of ‘Tommy Atkins’ mangoes. VOC metabolites produced during the ripening process were sampled directly, which enabled simultaneous and rapid detection of a wide range of compounds. Headspace measurements of ‘Keitt’ mangoes were also conducted for comparison. A principle component analysis of the results indicated that several mass channels were not only key to the ripening process but could also be used to distinguish between mango cultivars. The identities of 22 of these channels, tentatively speciated using contemporaneous GC–MS measurements of sorbent tubes, are rationalized through examination of the biochemical pathways that produce volatile flavour components. Results are discussed with relevance to the potential of headspace analysers and electronic noses in future fruit ripening and quality studies.

LOW-MOLECULAR WEIGHT METABOLITES IN SPIRODELA POLYRHIZA (L.) SCHEIDEN FROM NORTHWEST RUSSIA IN THE MIDDLE OF THE GROWING SEASON

Ponte Academic JournalOct 2016, Volume 72, Issue 10 LOW-MOLECULAR WEIGHT METABOLITES IN SPIRODELA POLYRHIZA (L.) SCHEIDEN FROM NORTHWEST RUSSIA IN THE MIDDLE OF THE GROWING SEASONAuthor(s): Evgeny A. Kurashov ,Galina G. Mitrukova, Julia V. Krylova, Dina G. Aleshina, Yulia V. Bataeva, Oxana V. AstafyevaJ. Ponte - Oct 2016 - Volume 72 - Issue 10 doi: 10.21506/j.ponte.2016.10.2 Abstract:Not much is known about the chemical composition of low-molecular weight secondary metabolites of Spirodela polyrhiza (L.) Scheiden. We aimed to investigate the composition of low molecular weight volatile organic compounds (VOCs) of S. polyrhiza in the middle of the growing season by GC-MS. A GC-MS analysis of the essential oil of fresh S. polyrhiza was undertaken for the first time. It was found that in the middle of the growing season (in July) the essential oil of S. polyrhiza from a hypertrophic pond (Northwest Russia) contains 89 VOCs, 83 of which were identified. The major low-molecular weight metabolites of S. polyrhiza were manool (25.11%), biformen (12.83%) and phytol (8.05%), which are valuable in practical terms and can play a very important role in aquatic ecosystems. Further study of the composition of VOCs of S. polyrhiza growing in different water bodies and in different conditions (different hydrobiological environments) is necessary to understand the role of this species in hydrobiocenoses. The production of valuable VOCs from S. polyrhiza may be combined with other uses of this plant, e.g., biomass production, the treatment of wastewater with high nutrient concentrations (municipal, industrial and livestock farm wastewater). Large amounts of Lemnaceae biomass and VOCs can be the result of the purification of numerous water bodies that are exposed to duckweed bloom. Download full text:Check if you have access through your login credentials or your institution Username Password

A membrane introduction mass spectrometer utilizing ion-molecule reactions for the on-line speciation and quantitation of volatile organic molecules.

The ability of membrane introduction mass spectrometry to quantitatively resolve low molecular weight volatile organic compounds (VOCs) such as benzene, toluene, ethylbenzene and xylene (BTEX) using electron ionization (EI) can be compromised by isobaric interferences. This work focuses on reducing isobaric interferences with ion-molecule reactions in a portable quadrupole ion trap mass spectrometer for the analysis of VOCs. EI was used to produce reagent ions from precursors (chloroform, methyl iodide, trichloroethylene or chlorobenzene) that were continually infused into the helium acceptor phase upstream of the membrane introduction mass spectrometry (MIMS) sampling interface. The reagent ions were selectively stored in the ion trap, and then allowed to react with target VOC analytes in air samples via ion-molecule reactions within the trap storage volume. A variety of reaction times were examined (50-5000 ms), and the resulting product ions were analyzed in positive ion mode. The detection limits achieved were comparable with those obtained using EI (low ppbv), and in some cases better than for EI coupled with tandem mass spectrometry (MS/MS). For the VOCs studied, isobaric interferences were greatly reduced or eliminated using chloroform as a reagent gas. The predominant ionization mechanism was via adduct formation, although charge transfer and hydride abstractions were also observed. An internal standard was shown to be effective at correcting for signal changes due to consumption of reagent ions when complex mixtures were sampled. Ion-molecule reactions were exploited to eliminate isobaric interferences that are often encountered in direct, real-time analysis strategies for atmospheric VOC mixtures. The use of a continuously infused internal standard will improve quantitative results in field applications where analyte concentration and sample complexity may be wide ranging.

Potassium fluoride as a selective moisture trapping agent for SPE-TD-GC-FID determination of volatile organic compounds in air

Anhydrous potassium fluoride has been proposed as a novel selective moisture trapping agent for gas chromatography to remove water vapor during adsorption concentration of low molecular weight volatile organic compounds (VOCs) from moist air.

Urinary Volatile Compounds as Biomarkers for Lung Cancer: A Proof of Principle Study Using Odor Signatures in Mouse Models of Lung Cancer

A potential strategy for diagnosing lung cancer, the leading cause of cancer-related death, is to identify metabolic signatures (biomarkers) of the disease. Although data supports the hypothesis that volatile compounds can be detected in the breath of lung cancer patients by the sense of smell or through bioanalytical techniques, analysis of breath samples is cumbersome and technically challenging, thus limiting its applicability. The hypothesis explored here is that variations in small molecular weight volatile organic compounds (“odorants”) in urine could be used as biomarkers for lung cancer. To demonstrate the presence and chemical structures of volatile biomarkers, we studied mouse olfactory-guided behavior and metabolomics of volatile constituents of urine. Sensor mice could be trained to discriminate between odors of mice with and without experimental tumors demonstrating that volatile odorants are sufficient to identify tumor-bearing mice. Consistent with this result, chemical analyses of urinary volatiles demonstrated that the amounts of several compounds were dramatically different between tumor and control mice. Using principal component analysis and supervised machine-learning, we accurately discriminated between tumor and control groups, a result that was cross validated with novel test groups. Although there were shared differences between experimental and control animals in the two tumor models, we also found chemical differences between these models, demonstrating tumor-based specificity. The success of these studies provides a novel proof-of-principle demonstration of lung tumor diagnosis through urinary volatile odorants. This work should provide an impetus for similar searches for volatile diagnostic biomarkers in the urine of human lung cancer patients.

Characteristics of exhaust gas, liquid products, and residues of printed circuit boards using the pyrolysis process

The pyrolytic method was employed to recycle metals and brominated compounds blended into printed circuit boards (PCBs). PCBs were crushed into pieces 4.0-4.8 mm in size, and the crushed pieces were pyrolyzed at temperatures ranging from 200 to 500 degrees C. The compositions of pyrolytic residues, liquid products, and exhaust were analyzed by inductively coupled plasma atomic emission spectrometer, inductively coupled plasma mass spectrometry, and gas chromatography-mass spectrometry. Pyrolytic exhaust was collected by an impinger system in an ice bath cooler to analyze the composition fraction of the liquid product, and uncondensable exhaust was collected for gas constituent analysis. Phenol, methyl-phenol, and bromo-phenol were attributed mainly to the liquid product. Metal content was low in the liquid product. In addition, CO, CO(2), CH(4), and H(2) were the major components of pyrolytic exhaust. Brominated and chlorinated compounds-i.e., dichloromethane, trans-1,2 dichloroethylene, cis-1,2 dichloroethylene, 1,1,1-trichloroethane, tetrachloromethane, bromophenol, and bromoform-could be high, up to the several parts per million (ppm) level. Low molecular weight volatile organic compounds (VOCs)-i.e., methanol, acetone, ethyl acetate, acrylonitrile, 1-butene, propene, propane, and n-butane-contributed a large fraction of VOCs. The concentrations of toluene, benzene, xylene, ethylbenzene, and styrene were in the ppm range.

Detection of Cyclic Volatile Organic Compounds Using Single-Step Anodized Nanoporous Alumina Sensors

Conventional methods of fabricating anodic aluminum oxide (AAO) materials have utilized a multistep anodization process to manufacture sensor substrates and templates for nanostructured materials. The multistep anodization produces structured, highly ordered hexagonal nanopores. In this paper, it is demonstrated that a single-step anodization process employed in the manufacturing of moisture sensors produces a nanoporous AAO material suitable for the detection and discrimination of low molecular weight volatile organic compounds. Electrical impedance methods have been employed to analyze the electrical response of the single-step anodized AAO materials in the presence of cyclic organic vapors. The sensor exhibits an impedance response that discriminates cyclohexane, cyclohexene, benzene, toluene, and the three isomers of xylene. The impedance measurements have a direct correlation with the relative permittivity, polarizability, and dipole moments of the organic analytes.

Degradation of Low Molecular Weight Volatile Organic Compounds by Plants Genetically Modified with Mammalian Cytochrome P450 2E1

Cytochrome P450 2E1 (CYP2E1) is a key enzyme in the mammalian metabolism of several low molecular weight volatile organic compounds (VOCs), such as trichloroethylene (TCE), vinyl chloride (VC), carbon tetrachloride (CT), benzene, chloroform, and bromodichloromethane (BDCM), which are all common environmental pollutants that pose risks to human health. We have developed a transgenic tobacco (Nicotiana tabacum cv. Xanthii) that expresses CYP2E1 with increased activity toward TCE and ethylene dibromide. In experiments with tobacco plant cuttings exposed to VOCs in small hydroponic vessels, the transgenic tobacco had greatly increased rates of removal of TCE, VC, CT, benzene, toluene, chloroform, and BDCM, compared to wild-type or vector control tobacco, but not of perchloroethylene or 1,1,1-trichloroethane.

δ13C of volatile organic compounds (VOCS) in airborne samples by thermal desorption-gas chromatography-isotope ratio-mass spectrometry (TD-GC-IR-MS)

This paper is a preliminary investigation into the use of a thermal desorption-gas chromatography-isotope ratio mass spectrometry (TD-GC-IR-MS) method to determine stable carbon isotopic compositions ( δ 13C) of low molecular-weight volatile organic compounds (VOCs) in airborne samples (e.g. industrial and car exhaust emissions) as a means of differentiating their sources in the environment. A TD-GC-IR-MS method for obtaining δ 13C of VOCs (benzene, toluene, chlorobenzene, ethylbenzene, m-xylene and propylbenzene) in air samples has been optimised, and is proven to be both reproducible and linear. The δ 13C of the VOC standards was found to be comparable (within analytical error) to that obtained from direct GC-IR-MS analysis. This novel method of VOC analysis is valuable in environmental and forensic investigations.