Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 406
Filtrar
1.
J Breath Res ; 18(3)2024 May 07.
Artigo em Inglês | MEDLINE | ID: mdl-38663377

RESUMO

In the breath research community's search for volatile organic compounds that can act as non-invasive biomarkers for various diseases, hundreds of endogenous volatiles have been discovered. Whilst these systemic chemicals result from normal and abnormal metabolic activities or pathological disorders, to date very few are of any use for the development of clinical breath tests that could be used for disease diagnosis or to monitor therapeutic treatments. The reasons for this lack of application are manifold and complex, and these complications either limit or ultimately inhibit the analytical application of endogenous volatiles for use in the medical sciences. One such complication is a lack of knowledge on the biological origins of the endogenous volatiles. A major exception to this is isoprene. Since 1984, i.e. for 40 years, it has been generally accepted that the pathway to the production of human isoprene, and hence the origin of isoprene in exhaled breath, is through cholesterol biosynthesis via the mevalonate (MVA) pathway within the liver. However, various studies between 2001 and 2012 provide compelling evidence that human isoprene is produced in skeletal muscle tissue. A recent multi-omic investigation of genes and metabolites has revealed that this proposal is correct by showing that human isoprene predominantly results from muscular lipolytic cholesterol metabolism. Despite the overwhelming proof for a muscular pathway to isoprene production in the human body, breath research papers still reference the hepatic MVA pathway. The major aim of this perspective is to review the evidence that leads to a correct interpretation for the origins of human isoprene, so that the major pathway to human isoprene production is understood and appropriately disseminated. This is important, because an accurate attribution to the endogenous origins of isoprene is needed if exhaled isoprene levels are to be correctly interpreted and for assessing isoprene as a clinical biomarker.


Assuntos
Testes Respiratórios , Butadienos , Hemiterpenos , Pentanos , Humanos , Hemiterpenos/análise , Butadienos/análise , Pentanos/análise , Testes Respiratórios/métodos , Expiração , Ácido Mevalônico/metabolismo , Colesterol/metabolismo , Colesterol/análise , Compostos Orgânicos Voláteis/análise , Compostos Orgânicos Voláteis/metabolismo
2.
J Natl Cancer Inst ; 116(5): 737-744, 2024 May 08.
Artigo em Inglês | MEDLINE | ID: mdl-38180898

RESUMO

BACKGROUND: Industrial facilities are not located uniformly across communities in the United States, but how the burden of exposure to carcinogenic air emissions may vary across population characteristics is unclear. We evaluated differences in carcinogenic industrial pollution among major sociodemographic groups in the United States and Puerto Rico. METHODS: We evaluated cross-sectional associations of population characteristics including race and ethnicity, educational attainment, and poverty at the census tract level with point-source industrial emissions of 21 known human carcinogens using regulatory data from the US Environmental Protection Agency. Odds ratios and 95% confidence intervals comparing the highest emissions (tertile or quintile) to the referent group (zero emissions [ie, nonexposed]) for all sociodemographic characteristics were estimated using multinomial, population density-adjusted logistic regression models. RESULTS: In 2018, approximately 7.4 million people lived in census tracts with nearly 12 million pounds of carcinogenic air releases. The odds of tracts having the greatest burden of benzene, 1,3-butadiene, ethylene oxide, formaldehyde, trichloroethylene, and nickel emissions compared with nonexposed were 10%-20% higher for African American populations, whereas White populations were up to 18% less likely to live in tracts with the highest emissions. Among Hispanic and Latino populations, odds were 16%-21% higher for benzene, 1,3-butadiene, and ethylene oxide. Populations experiencing poverty or with less than high school education were associated with up to 51% higher burden, irrespective of race and ethnicity. CONCLUSIONS: Carcinogenic industrial emissions disproportionately impact African American and Hispanic and Latino populations and people with limited education or experiencing poverty thus representing a source of pollution that may contribute to observed cancer disparities.


Assuntos
Poluentes Atmosféricos , Humanos , Estados Unidos/epidemiologia , Poluentes Atmosféricos/análise , Poluentes Atmosféricos/efeitos adversos , Estudos Transversais , Exposição Ambiental/efeitos adversos , Carcinógenos/análise , Butadienos/análise , Butadienos/efeitos adversos , Benzeno/análise , Poluição do Ar/efeitos adversos , Poluição do Ar/análise , Fatores Socioeconômicos , Fatores Sociodemográficos , Formaldeído/análise , Formaldeído/efeitos adversos , Níquel/análise , Níquel/efeitos adversos , Indústrias/estatística & dados numéricos , Porto Rico/epidemiologia
3.
Phytochem Anal ; 35(3): 579-585, 2024 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-38130156

RESUMO

INTRODUCTION: The active compound (E)-1-(3',4'-dimethoxyphenyl)butadiene (DMPBD) isolated from the rhizomes of Zingiber cassumunar Roxb. has potent anti-inflammatory and anticancer activities. Although DMPBD is one of the promising drug candidates for phytomedicine, its limited stability impedes its widespread use. For the development of new drugs, the assessment of their chemical stability is essential, ensuring they maintain their properties within specified limits throughout the period from production until use. OBJECTIVE: In the present study, we aimed to evaluate the stability of DMPBD under various conditions, including different solvents, temperatures, and lighting conditions, to identify the factors affecting stability and optimize the storage and handling conditions. METHODOLOGY: DMPBD samples subjected to the different conditions tested were monitored by quantitative 1H NMR (qHNMR), using an internal standard for the determination of the absolute quantity of DMPBD as a function of time and the changes thereof within 1 month. RESULTS: Significant decomposition of DMPBD was observed in chloroform-d1, whereas its content remained constant in methanol-d4. The content of DMPBD was maintained upon storage at temperatures below 4°C, both as methanolic solution and in the crude extract. Exposure to light had a slight negative impact on its contents. Some degradation products could be identified as resulting from O2-induced cleavage of the diene moiety. CONCLUSIONS: For pharmacological/therapeutic applications, DMPBD should be stored in the form of the crude extract or as a purified material in methanolic solution. Ideally, the storage temperature should be below 4°C and O2 should be excluded.


Assuntos
Extratos Vegetais , Zingiberaceae , Extratos Vegetais/química , Butadienos/análise , Butadienos/farmacologia , Rizoma/química , Zingiberaceae/química
4.
J Chromatogr A ; 1711: 464442, 2023 Nov 22.
Artigo em Inglês | MEDLINE | ID: mdl-37844445

RESUMO

Owing to the growing emphasis on child safety, it is greatly urgent to identify and assess the unknown compounds and discriminate the recycled materials for plastic toys. In this study, gas chromatography mass spectrometry coupled with static headspace has been optimized by response surface methodology for non-targeted screening of unknown volatiles in acrylonitrile-butadiene-styrene (ABS) plastic toys. Optimum conditions for static headspace were 120 °C for extraction temperature and 48 min for extraction time. A total of 83 volatiles in 11 categories were qualitatively identified by matching the NIST database library, retention index and standard materials. Considering high positive rate and potential toxicity, high-risk volatiles in ABS plastic toys were listed and traced for safety pre-warning. Moreover, the differential volatiles between virgin and recycled ABS plastics were screened out by orthogonal partial least-squares discrimination analysis. Principal component analysis, hierarchical cluster analysis and linear discrimination analysis were employed to successfully discriminate recycled ABS plastic toys based on the differential volatiles. The proposed strategy represents an effective and promising analytical method for non-targeted screening and risk assessment of unknown volatiles and discrimination of recycled materials combining with various chemometric techniques for children's plastic products to safeguard children's health.


Assuntos
Acrilonitrila , Estireno , Criança , Humanos , Butadienos/análise , Quimiometria , Plásticos/química
5.
Environ Pollut ; 334: 122198, 2023 Oct 01.
Artigo em Inglês | MEDLINE | ID: mdl-37453688

RESUMO

The impact of microplastics (MPs, plastic particles ≤5 mm) on ecosystems is of great concern. Road surfaces represent a significant source of MPs where plastic fragments are physically and chemically reduced to MPs. However, the literature lacks information on fragmentation tendencies below 11 µm. This study aimed to characterize the occurrence of MPs in road dust in different size fractions down to 1.1 µm. Road dust was collected at five sites near a major road in Kusatsu city, Japan, and partitioned by size into 13 fractions (1.1-850 µm). The coarser fractions accounted for a greater proportion of the dust. The percentage of organic matter, determined by loss on ignition, increased as the fractions became finer. Pyrolysis-gas chromatography-mass spectrometry was used to quantify 12 types of polymers in each fraction. The dust was found to contain nine types of MP, namely, polyethylene (PE), polypropylene (PP), polyvinylchloride (PVC), polystyrene (PS), styrene/butadiene rubber (SBR), acrylonitrile/butadiene/styrene resin (ABS), polycarbonate (PC), polymethylmethacrylate (PMMA), and polyamide 66 (PA66). The total MP concentration in road dust particles by particle size fraction (concentrationf) began to increase from the 125-250 µm fraction and remained elevated in finer fractions down to 1.1 µm, indicating that MPs in the road dust micronized to at least 1.1 µm. However, for individual polymer types, the tendency for concentrationf to increase or decrease with particle size fraction varied: the concentrationf of some polymers, such as PE and PVC, remained elevated in fractions down to 1.1 µm; the concentrationf of SBR, a rubber-MP, showed a stable or decreasing trend in fractions of 7.0-11 µm and finer. Particles of PE, PVC, and some other plastics might become increasingly finer, even down to 1.1 µm. Further research is needed to understand the comminution limits of these polymers under pertinent environmental conditions.


Assuntos
Plásticos , Poluentes Químicos da Água , Plásticos/análise , Microplásticos , Borracha , Butadienos/análise , Poeira/análise , Japão , Tamanho da Partícula , Ecossistema , Polímeros , Polietilenos/análise , Estirenos/análise , Monitoramento Ambiental/métodos , Poluentes Químicos da Água/análise
6.
J Breath Res ; 17(2)2023 01 20.
Artigo em Inglês | MEDLINE | ID: mdl-36596256

RESUMO

Isoprene is one of the most abundant and most frequently evaluated volatile organic compounds in exhaled breath. Recently, several individuals with background levels of exhaled isoprene have been identified. Here, case study data are provided for an individual, identified from a previous study, with this low prevalence phenotype. It is hypothesized that the individual will illustrate low levels of exhaled isoprene at rest and during exercise. At rest, the subject (7.1 ppb) shows background (µ= 14.2 ± 7.0 ppb) levels of exhaled isoprene while the control group illustrates significantly higher quantities (µ= 266.2 ± 72.3 ppb) via proton transfer reaction mass spectrometry (PTR-MS). The result, background levels of isoprene at rest, is verified by thermal desorption gas chromatography mass spectrometry (TD-GC-MS) collections with the individual showing -3.6 ppb exhaled isoprene while the room background containedµ= -4.1 ± 0.1 ppb isoprene. As isoprene has been shown previously to increase at the initiation of exercise, exercise bike experiments were performed with the individual identified with low isoprene, yielding low and invariant levels of exhaled isoprene (µ= 6.6 ± 0.1 ppb) during the exercise while control subjects illustrated an approximate 2.5-fold increase (preµ= 286.3 ± 43.8 ppb, exerciseµ= 573.0 ± 147.8 ppb) in exhaled isoprene upon exercise start. Additionally, exhaled breath bag data showed a significant decrease in isoprene (delta post/pre, p = 0.0078) of the control group following the exercise regimen. Finally, TD-GC-MS results for exhaled isoprene from the individual's family (mother, father, sister and maternal grandmother) illustrated that the mother and father exhibited isoprene values (28.5 ppb, 77.2 ppb) below control samples 95% confidence interval (µ= 166.8 ± 43.3 ppb) while the individual's sister (182.0 ppb) was within the control range. These data provide evidence for a large dynamic range in exhaled isoprene in this family. Collectively, these results provide additional data surrounding the existence of a small population of individuals with background levels of exhaled isoprene.


Assuntos
Testes Respiratórios , Butadienos , Testes Respiratórios/métodos , Espectrometria de Massas/métodos , Cromatografia Gasosa-Espectrometria de Massas/métodos , Butadienos/análise , Hemiterpenos/análise , Expiração
7.
Sci Rep ; 12(1): 22103, 2022 12 21.
Artigo em Inglês | MEDLINE | ID: mdl-36543865

RESUMO

Chemicals containing Volatile Organic Compounds (VOCs) are commonly used in the machine carpet production. 1,3-butadiene and styrene are main components of the carpenter's glue used in carpet factories. Exposition to these chemicals can lead to a number of adverse health effects. This is the first study of the human health risk assessment due to inhalational exposure to 1,3-butadiene (BD) and styrene (ST) performed among workers in the carpet factories in Kashan city, Iran. The importance of the study was related with the fact of high popularity of carpet production in the South Asia countries. Inhalation exposure to BD and ST were measured based on the National Institute for Occupational Safety and Health (NIOSH) 1024 and 1501 methods, respectively. The cancerogenic risk (CR) and non-cancerogenic risk described as Hazard Quotient (HQ) values were calculated based on the United States Environmental Protection Agency (USEPA) method. The sensitivity and uncertainty analysis were performed by the Monte Carlo simulation (MCS) technique. The average concentration measured of BD and ST during work shifts of employees were 0.039 mg m-3 (0.017 ppm) and 12.108 mg m-3 (2.84 ppm), respectively. The mean ± SD value of estimated cancerogenic risk in inhalation exposure to BD and ST were equal to 5.13 × 10-3 ± 3.85 × 10-4 and 1.44 × 10-3 ± 2.36 × 10-4, respectively exceeding the acceptable risk level of 10-6 defined by USEPA. The average non-carcinogenic risk (HQ) values of BD and ST were equal to 8.50 × 100 and 5.13 × 100, respectively exceeding the acceptable risk level of 1. As the results of our studies exceeded both cancerogenic and non-carcinogenic risk values it indicates that adverse health effects due to inhalational exposure to BD and ST for workers in the machine carpet industry are very likely. To avoid negative health effects protective measures for employees in the factories should be introduced immediately and furher detailed research are recommended.


Assuntos
Exposição Ocupacional , Estireno , Estados Unidos , Humanos , Estireno/toxicidade , Exposição Ocupacional/efeitos adversos , Exposição Ocupacional/análise , Pisos e Cobertura de Pisos , Método de Monte Carlo , Butadienos/toxicidade , Butadienos/análise , Medição de Risco
8.
Proc Natl Acad Sci U S A ; 119(38): e2118014119, 2022 09 20.
Artigo em Inglês | MEDLINE | ID: mdl-36095176

RESUMO

Emissions of biogenic volatile organic compounds (BVOCs) are a crucial component of biosphere-atmosphere interactions. In northern latitudes, climate change is amplified by feedback processes in which BVOCs have a recognized, yet poorly quantified role, mainly due to a lack of measurements and concomitant modeling gaps. Hence, current Earth system models mostly rely on temperature responses measured on vegetation from lower latitudes, rendering their predictions highly uncertain. Here, we show how tundra isoprene emissions respond vigorously to temperature increases, compared to model results. Our unique dataset of direct eddy covariance ecosystem-level isoprene measurements in two contrasting ecosystems exhibited Q10 (the factor by which the emission rate increases with a 10 °C rise in temperature) temperature coefficients of up to 20.8, that is, 3.5 times the Q10 of 5.9 derived from the equivalent model calculations. Crude estimates using the observed temperature responses indicate that tundra vegetation could enhance their isoprene emissions by up to 41% (87%)-that is, 46% (55%) more than estimated by models-with a 2 °C (4 °C) warming. Our results demonstrate that tundra vegetation possesses the potential to substantially boost its isoprene emissions in response to future rising temperatures, at rates that exceed the current Earth system model predictions.


Assuntos
Butadienos , Aquecimento Global , Hemiterpenos , Desenvolvimento Vegetal , Tundra , Compostos Orgânicos Voláteis , Butadienos/análise , Hemiterpenos/análise , Temperatura , Compostos Orgânicos Voláteis/análise
9.
Sci Total Environ ; 850: 157983, 2022 Dec 01.
Artigo em Inglês | MEDLINE | ID: mdl-35973540

RESUMO

Freshwater pollution is a huge concern. A study aiming to evaluate physico-chemical characteristics, microbiota, occurrence of two groups of persistent environmental pollutants with similar chemical properties (polycyclic aromatic hydrocarbons- PAHs and microplastics - MPs) in Alqueva's surface water was performed during 2021. Water samples were collected at three spots related to touristic activities (two beaches and one marina) during the Winter, Spring, Summer and Autumn seasons. In addition, the presence of biofilms on plastic and natural materials (stone, wood/ vegetal materials) were assessed and compared. Water quality based on physicochemical parameters was acceptable with a low eutrophication level. PAHs concentration levels were lower than the standard limits established for surface waters by international organizations. However, carcinogenic compounds were detected in two sampling locations, which can pose a problem for aquatic ecosystems. PAHs profiles showed significant differences when comparing the dry seasons with the rainy seasons, with a higher number of different compounds detected in Spring. Low molecular weigh compounds, usually associated with the atmospheric deposition and petroleum contamination, were more prevalent. MPs were detected in all samples except one during the Winter season. The polymers detected were poly(methyl-2-methylpropenoate), polystyrene, polyethylene terephthalate, polyamide, polypropylene, styrene butadiene, polyvinyl chloride and low /high density polyethylene with the last being the most frequent. Biofilms were more often detected on plastics than on natural materials. In addition, biofilms detected on plastics were more complex with higher microbial diversity (e.g., bacteria, fungi/yeast and phytoplancton organisms) and richer in extrapolymeric material. Based on morphological analysis a good agreement between microbiota and microorganism present in the biofilms was found. Among microbiota were identified microorganisms previously linked to plastic and PAHs detoxification suggesting the need for further studies to evaluate the viability of using biofilms as part of a green bioremediation strategy to mitigate water pollution.


Assuntos
Petróleo , Hidrocarbonetos Policíclicos Aromáticos , Poluentes Químicos da Água , Biofilmes , Butadienos/análise , Ecossistema , Monitoramento Ambiental , Microplásticos , Nylons , Petróleo/análise , Plásticos/análise , Hidrocarbonetos Policíclicos Aromáticos/análise , Polietileno/análise , Polietilenotereftalatos , Polipropilenos/análise , Poliestirenos/análise , Cloreto de Polivinila/análise , Poluentes Químicos da Água/análise
10.
Sci Total Environ ; 842: 156908, 2022 Oct 10.
Artigo em Inglês | MEDLINE | ID: mdl-35753484

RESUMO

As one of the most abundant non-methane hydrocarbon in the atmosphere, isoprene has attracted lots of attention on its oxidation processes and environmental effects. However, less is known about the nocturnal chemistry of isoprene with multiple oxidants coexisting in the atmosphere. Besides, though highly oxygenated molecules (HOMs) have recently been recognized to contribute to secondary organic aerosol (SOA) formation, the specific contribution of measured HOMs on SOA formation in isoprene oxidation has not been well established. In this study, the oxidation of isoprene was simulated under dark and various NO2/O3 conditions. Plenty of oxidation products were identified by combining two state-of-the-art time-of-flight mass spectrometers, and more species with high C and N numbers and low volatilities were detected under high NO2 conditions. The nocturnal oxidation of isoprene was found to be governed by synergic effects of multiple oxidants, including O3, NO3•, and •OH at the same time, and the oxidation proportions changed with NO2. NO2 promoted the formation of most N-containing products especially N2 products, because of the decisive role of NO3• on their formation. Nevertheless, some products such as C5H10O3-5, C5H11NO6, and C10H16N2O10,11 showed a better correlation with HO2NO2 rather than NO2/O3, indicating the importance of HO2• chemistry on the oxidation products formation. Though the concentration of measured oxygenated products was dominated by volatile and semi-volatile organic compounds, the low- and extremely low-volatile organic compounds contributed over 97 % to the SOA formation potential. However, challenges still exist in accurately simulating SOA formation from the measured oxygenated molecules to match the measurement, and further comprehensive characterization of oxidation products in both gas and aerosol phases at the molecular level is needed.


Assuntos
Poluentes Atmosféricos , Compostos Orgânicos Voláteis , Aerossóis/análise , Poluentes Atmosféricos/química , Butadienos/análise , Gases , Hemiterpenos , Dióxido de Nitrogênio , Oxidantes , Oxirredução
11.
ACS Appl Mater Interfaces ; 14(9): 11587-11596, 2022 Mar 09.
Artigo em Inglês | MEDLINE | ID: mdl-35174700

RESUMO

Precise detection of breath isoprene can provide valuable information for monitoring the physical and physiological status of human beings or for the early diagnosis of cardiovascular diseases. However, the extremely low concentration and low chemical reactivity of breath isoprene hamper the selective and sensitive detection of isoprene using oxide semiconductor chemiresistors. Herein, we report that macroporous WO3 microspheres whose inner macropores are surrounded by Au nanoparticles exhibit a high response (resistance ratio = 11.3) to 0.1 ppm isoprene under highly humid conditions at 275 °C and an extremely low detection limit (0.2 ppb). Furthermore, the sensor showed excellent selectivity to isoprene over five interferants that could be exhaled by humans. Notably, the selectivity to isoprene is critically dependent on the location of Au nanocatalysts and macroporosity. The mechanism underlying the selective isoprene detection is investigated in relation to the reforming of less reactive isoprene into more reactive intermediate species promoted by macroporous catalytic reactors, which is confirmed by the analysis using a proton transfer reaction quadrupole mass spectrometer. The sensor for breath analysis has high potential for simple physical and physiological monitoring as well as disease diagnosis.


Assuntos
Testes Respiratórios/métodos , Butadienos/análise , Compostos de Ouro/química , Hemiterpenos/análise , Nanopartículas Metálicas/química , Óxidos/química , Tungstênio/química , Catálise , Humanos , Espectrometria de Massas/métodos , Microesferas , Sensibilidade e Especificidade , Temperatura
12.
Sci Rep ; 12(1): 2032, 2022 02 07.
Artigo em Inglês | MEDLINE | ID: mdl-35132067

RESUMO

Volatile organic compounds (VOCs) present in exhaled breath can help in analysing biochemical processes in the human body. Liver diseases can be traced using VOCs as biomarkers for physiological and pathophysiological conditions. In this work, we propose non-invasive and quick breath monitoring approach for early detection and progress monitoring of liver diseases using Isoprene, Limonene, and Dimethyl sulphide (DMS) as potential biomarkers. A pilot study is performed to design a dataset that includes the biomarkers concentration analysed from the breath sample before and after study subjects performed an exercise. A machine learning approach is applied for the prediction of scores for liver function diagnosis. Four regression methods are performed to predict the clinical scores using breath biomarkers data as features set by the machine learning techniques. A significant difference was observed for isoprene concentration (p < 0.01) and for DMS concentration (p < 0.0001) between liver patients and healthy subject's breath sample. The R-square value between actual clinical score and predicted clinical score is found to be 0.78, 0.82, and 0.85 for CTP score, APRI score, and MELD score, respectively. Our results have shown a promising result with significant different breath profiles between liver patients and healthy volunteers. The use of machine learning for the prediction of scores is found very promising for use of breath biomarkers for liver function diagnosis.


Assuntos
Testes Respiratórios/métodos , Expiração/fisiologia , Hepatopatias/diagnóstico , Testes de Função Hepática/métodos , Aprendizado de Máquina , Projetos Piloto , Compostos Orgânicos Voláteis/análise , Biomarcadores/análise , Butadienos/análise , Hemiterpenos/análise , Limoneno/análise , Valor Preditivo dos Testes , Sulfetos/análise
13.
J Am Soc Mass Spectrom ; 32(5): 1215-1223, 2021 May 05.
Artigo em Inglês | MEDLINE | ID: mdl-33831301

RESUMO

Volatile breath metabolites serve as potential disease biomarkers. Online mass spectrometry (MS) presents real-time quantification of breath volatile organic compounds (VOCs). The study aims to assess the relationship between two online analytical mass spectrometry techniques in the quantification of target breath metabolites: selected ion flow tube mass spectrometry (SIFT-MS) and proton-transfer-reaction time-of-flight mass spectrometry (PTR-ToF-MS). The two following techniques were employed: (i) direct injection with bag sampling using SIFT-MS and PTR-ToF-MS and (ii) direct injection and thermal desorption (TD) tube comparison using PTR-ToF-MS. The concentration of abundant breath metabolites, acetone and isoprene, demonstrated a strong positive linear correlation between both mass spectrometry techniques (r = 0.97, r = 0.89, respectively; p < 0.001) and between direct injection and TD tube (r = 0.97, r = 0.92, respectively; p < 0.001) breath sampling techniques. This was reflected for the majority of short chain fatty acids and alcohols tested (r > 0.80, p < 0.001). Analyte concentrations were notably higher with the direct injection of a sampling bag compared to the TD method. All metabolites produced a high degree of agreement in the detection range of VOCs between SIFT-MS and PTR-ToF-MS, with the majority of compounds falling within 95% of the limits of agreement with Bland-Altman analysis. The cross platform analysis of exhaled breath demonstrates strong positive correlation coefficients, linear regression, and agreement in target metabolite detection rates between both breath sampling techniques. The study demonstrates the transferability of using data outputs between SIFT-MS and PTR-ToF-MS. It supports the implementation of a TD platform in multi-site studies for breath biomarker research in order to facilitate sample transport between clinics and the laboratory.


Assuntos
Testes Respiratórios/métodos , Espectrometria de Massas/métodos , Compostos Orgânicos Voláteis/análise , Acetona/análise , Adulto , Testes Respiratórios/instrumentação , Butadienos/análise , Feminino , Hemiterpenos/análise , Humanos , Masculino , Espectrometria de Massas/instrumentação
14.
Environ Sci Technol ; 55(2): 842-853, 2021 01 19.
Artigo em Inglês | MEDLINE | ID: mdl-33410677

RESUMO

The formation of isoprene nitrates (IsN) can lead to significant secondary organic aerosol (SOA) production and they can act as reservoirs of atmospheric nitrogen oxides. In this work, we estimate the rate of production of IsN from the reactions of isoprene with OH and NO3 radicals during the summertime in Beijing. While OH dominates the loss of isoprene during the day, NO3 plays an increasingly important role in the production of IsN from the early afternoon onwards. Unusually low NO concentrations during the afternoon resulted in NO3 mixing ratios of ca. 2 pptv at approximately 15:00, which we estimate to account for around a third of the total IsN production in the gas phase. Heterogeneous uptake of IsN produces nitrooxyorganosulfates (NOS). Two mono-nitrated NOS were correlated with particulate sulfate concentrations and appear to be formed from sequential NO3 and OH oxidation. Di- and tri-nitrated isoprene-related NOS, formed from multiple NO3 oxidation steps, peaked during the night. This work highlights that NO3 chemistry can play a key role in driving biogenic-anthropogenic interactive chemistry in Beijing with respect to the formation of IsN during both the day and night.


Assuntos
Hemiterpenos , Nitratos , Aerossóis/análise , Pequim , Butadienos/análise , Hemiterpenos/análise , Nitratos/análise
15.
Chemosphere ; 262: 127771, 2021 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-32799139

RESUMO

The review initiates with current state of information on the atmospheric reaction mechanism of biogenic volatile organic compounds (BVOCs) and its fate in the atmosphere. The plants release BVOCs, i.e., isoprene, monoterpenes, and sesquiterpenes, which form secondary organic aerosols (SOA) upon oxidation. These oxidation reactions are primarily influenced by solar radiations along with other meteorological parameters viz.; temperature and relative humidity, therefore, the chemistry behind SOA formation is different during day than the night time. The review throws light upon the day and nighttime formation mechanism of SOA, recent advancements in the analytical techniques available for the measurements, and its impact on the environment. Studies have revealed that day time SOA formation is dominated by OH and O3, however, NOx initiated SOA production is dominated during night. The formation mechanism addresses that the gaseous products of VOCs are firstly formed and then partitioned over the pre-existing particles. New particle formation and biomass-derived aerosols are found to be responsible for enhanced SOA formation. 2-Dimensional gas chromatography-mass spectrometer (2D-GC/MS) is observed to be best for the analysis of organic aerosols. Radiative forcing (RF) SOA is observed to be a useful parameter to evaluate the environmental impacts of SOA and reviewed studies have shown mean RF in the ranges of -0.27 to +0.20 W m-2.


Assuntos
Aerossóis/análise , Poluentes Atmosféricos/análise , Atmosfera/química , Butadienos/análise , Hemiterpenos/análise , Monoterpenos/análise , Compostos Orgânicos Voláteis/análise , Aerossóis/química , Poluentes Atmosféricos/química , Butadienos/química , Hemiterpenos/química , Monoterpenos/química , Oxirredução , Temperatura , Compostos Orgânicos Voláteis/química
16.
J Mass Spectrom ; 56(4): e4588, 2021 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-32633879

RESUMO

Breath volatile biomarkers are capable of distinguishing patients with various cancers. However, high throughput analytical technology is a prerequisite to a large-cohort study intended to discover reliable breath biomarkers for cancer diagnosis. Single-photon ionization (SPI) is a universal ionization technology, and SPI-mass spectrometry (SPI-MS) shows a remarkable advantage in the comprehensive detection of volatile organic compounds (VOCs), in particular, nonpolar compounds. In this study, we have introduced SPI-MS coupled with on-line thermal desorption (TD-SPI-MS) to demonstrate nontarget analysis of breath VOCs for gastric cancer patients. The breath fingerprints of the gastric cancer patients were significantly distinct from that of the control group. Acetone, isoprene, 1,3-dioxolan-2-one, phenol, meta-xylene, 1,2,3-trimethylbenzene, and phenyl acetate showed higher relative peak intensities in the breath profiles of gastric cancer patients. A diagnostic prediction model was further developed by using a training set (121 samples) and validated with a test set (53 samples). The predication accuracy of the developed model was 96.2%, and the area under the curve (AUC) of the receiver operator characteristic curve (ROC) was 0.997, indicating a satisfactory prediction ability of the developed model. Thus, by taking gastric cancer as an example, we have shown that TD-SPI-MS will be a promising tool for high throughput analysis of breath samples to discover characteristic VOCs in patients with various cancers.


Assuntos
Biomarcadores Tumorais/análise , Testes Respiratórios/métodos , Espectrometria de Massas/métodos , Neoplasias Gástricas/diagnóstico , Compostos Orgânicos Voláteis/análise , Acetatos/análise , Acetona/análise , Butadienos/análise , Estudos de Coortes , Dioxolanos/análise , Expiração , Hemiterpenos/análise , Humanos , Fenol/análise , Fenóis/análise , Curva ROC , Xilenos/análise
17.
Nat Commun ; 11(1): 4834, 2020 10 01.
Artigo em Inglês | MEDLINE | ID: mdl-33004794

RESUMO

Atmospheric ice nucleating particles (INPs) influence global climate by altering cloud formation, lifetime, and precipitation efficiency. The role of secondary organic aerosol (SOA) material as a source of INPs in the ambient atmosphere has not been well defined. Here, we demonstrate the potential for biogenic SOA to activate as depositional INPs in the upper troposphere by combining field measurements with laboratory experiments. Ambient INPs were measured in a remote mountaintop location at -46 °C and an ice supersaturation of 30% with concentrations ranging from 0.1 to 70 L-1. Concentrations of depositional INPs were positively correlated with the mass fractions and loadings of isoprene-derived secondary organic aerosols. Compositional analysis of ice residuals showed that ambient particles with isoprene-derived SOA material can act as depositional ice nuclei. Laboratory experiments further demonstrated the ability of isoprene-derived SOA to nucleate ice under a range of atmospheric conditions. We further show that ambient concentrations of isoprene-derived SOA can be competitive with other INP sources. This demonstrates that isoprene and potentially other biogenically-derived SOA materials could influence cirrus formation and properties.


Assuntos
Aerossóis/química , Atmosfera/química , Butadienos/análise , Hemiterpenos/análise , Gelo/análise , Clima
18.
Toxicol Ind Health ; 36(12): 960-970, 2020 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-33108261

RESUMO

1,3-Butadiene is classified as carcinogenic to humans by inhalation. This study aimed to assess cancer and non-cancer risk following occupational exposure to 1,3-butadiene. This cross-sectional study was conducted in a petrochemical plant producing acrylonitrile butadiene styrene copolymer in Iran. Occupational exposure to 1,3-butadiene was measured according to the National Institute for Occupational Safety and Health 1024 method. Cancer and non-cancer risk assessment were performed according to the United States Environmental Protection Agency method. The average occupational exposure to 1,3-butadiene during work shifts among all participants was 560.82 ± 811.36 µg m-3. The average lifetime cancer risk (LCR) in the present study was 2.71 × 10-3; 82.2% of all exposed workers were within the definite carcinogenic risk level. Also, the mean non-cancer risk (hazard quotient (HQ)) among all participants was 10.82 ± 14.76. The highest LCR and HQ were observed in the safety and fire-fighting station workers with values of 7.75 × 10-3 and 36.57, respectively. The findings revealed that values of carcinogenic and noncarcinogenic risk in the majority of participants were within the definitive and unacceptable risk levels. Therefore, corrective measures are necessary to protect these workers from non-cancer and cancer risks from 1,3-butadiene exposure.


Assuntos
Butadienos/análise , Neoplasias/epidemiologia , Doenças Profissionais/epidemiologia , Exposição Ocupacional/análise , Indústria de Petróleo e Gás , Resinas Acrílicas , Estudos Transversais , Humanos , Irã (Geográfico) , Saúde Ocupacional , Poliestirenos
19.
J Breath Res ; 15(1): 016009, 2020 12 08.
Artigo em Inglês | MEDLINE | ID: mdl-33027773

RESUMO

The physiological roles of isoprene, which is one of the many endogenous volatile organic compounds contained in exhaled breath, are not well understood. In recent years, exhaled isoprene has been associated with the skeletal muscle. Some studies have suggested that the skeletal muscle produces and/or stores some of the isoprene. However, the evidence supporting this association remains sparse and inconclusive. Furthermore, aging may affect breath isoprene response because of changes in the skeletal muscle quantity and quality. Therefore, we investigated the association between the breath isoprene excretion ([Formula: see text]) and skeletal muscle mass in young (n = 7) and old (n = 7) adults. The participants performed an 18 min cycling exercise after a 3 min rest. The workload corresponded to an intensity of 30% of the heart rate reserve, as calculated by the Karvonen formula. The exhaled breath of each participant was collected during the exercise test. We calculated [Formula: see text] from the product minute ventilation and isoprene concentration and, then, investigated the relationships between [Formula: see text] and muscle mass, which was measured by multi-frequency bioelectrical impedance analysis. Importantly, muscle mass persisted as a significant determinant that explained the variance in [Formula: see text] at rest even after adjusting for age. Furthermore, the muscle mass was a significant determinative factor for [Formula: see text] response during exercise, regardless of age. These data indicated that skeletal muscle mass could be one of the determinative factors for [Formula: see text] during rest and response to exercise. Thus, we suggest that the skeletal muscle may play an important role in generating and/or storing some of the endogenous isoprene. This new knowledge will help to better understand the physiological functions of isoprene in humans (Approval No. 20190079).


Assuntos
Testes Respiratórios/métodos , Butadienos/análise , Exercício Físico/fisiologia , Hemiterpenos/análise , Músculo Esquelético/anatomia & histologia , Músculo Esquelético/fisiologia , Descanso/fisiologia , Adolescente , Idoso , Teste de Esforço , Feminino , Humanos , Masculino , Consumo de Oxigênio/fisiologia , Adulto Jovem
20.
Nature ; 585(7824): 225-233, 2020 09.
Artigo em Inglês | MEDLINE | ID: mdl-32908268

RESUMO

Isoprene is the dominant non-methane organic compound emitted to the atmosphere1-3. It drives ozone and aerosol production, modulates atmospheric oxidation and interacts with the global nitrogen cycle4-8. Isoprene emissions are highly uncertain1,9, as is the nonlinear chemistry coupling isoprene and the hydroxyl radical, OH-its primary sink10-13. Here we present global isoprene measurements taken from space using the Cross-track Infrared Sounder. Together with observations of formaldehyde, an isoprene oxidation product, these measurements provide constraints on isoprene emissions and atmospheric oxidation. We find that the isoprene-formaldehyde relationships measured from space are broadly consistent with the current understanding of isoprene-OH chemistry, with no indication of missing OH recycling at low nitrogen oxide concentrations. We analyse these datasets over four global isoprene hotspots in relation to model predictions, and present a quantification of isoprene emissions based directly on satellite measurements of isoprene itself. A major discrepancy emerges over Amazonia, where current underestimates of natural nitrogen oxide emissions bias modelled OH and hence isoprene. Over southern Africa, we find that a prominent isoprene hotspot is missing from bottom-up predictions. A multi-year analysis sheds light on interannual isoprene variability, and suggests the influence of the El Niño/Southern Oscillation.


Assuntos
Atmosfera/química , Butadienos/análise , Butadienos/química , Mapeamento Geográfico , Hemiterpenos/análise , Hemiterpenos/química , Imagens de Satélites , África , Austrália , Brasil , Conjuntos de Dados como Assunto , El Niño Oscilação Sul , Formaldeído/química , Radical Hidroxila/análise , Radical Hidroxila/química , Ciclo do Nitrogênio , Óxidos de Nitrogênio/análise , Óxidos de Nitrogênio/química , Oxirredução , Estações do Ano , Sudeste dos Estados Unidos
SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA
...