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1.
Sud Med Ekspert ; 67(3): 29-33, 2024.
Artigo em Russo | MEDLINE | ID: mdl-38887068

RESUMO

Death from general hypothermia is one of the leading causes in the structure of violent death in the Russian Federation. OBJECTIVE: To clarify and supplement the complex of differential diagnostic macro- and microscopic signs of a fatal acute general cold trauma received when person is in the air and water. MATERIAL AND METHODS: The conclusions of forensic medical experts on the bodies of people who died from hypothermia in the air and in water (by 150 observations) were analyzed. Methods of descriptive statistics, calculation of the frequency ratio of signs' occurrence were used. RESULTS: The article provides quantitative assessment of occurrence (detection) rate of diagnostically significant signs established with the help of traditional methods of expert examination. A new classification of diagnostic death signs from hypothermia taking into account their differential diagnostic significance and reflecting the conditions of a person's stay in the air and water in the pre-mortem and post-mortem periods, as well as terminal period mechanisms is proposed. CONCLUSION: The established complexes of signs provide an objective basis for determining death cause in non-obvious conditions when cold exposure is expected to be one of the most damaging factors.


Assuntos
Hipotermia , Humanos , Hipotermia/diagnóstico , Hipotermia/mortalidade , Causas de Morte , Federação Russa/epidemiologia , Patologia Legal/métodos , Prova Pericial/métodos , Autopsia/métodos , Temperatura Baixa , Diagnóstico Diferencial , Medicina Legal/métodos , Ar/análise , Água
2.
J Contam Hydrol ; 264: 104359, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38697007

RESUMO

Poly- and perfluoroalkyl substance (PFAS) leaching from unsaturated soils impacted with aqueous film-forming foams (AFFFs) is an environmental challenge that remains difficult to measure and predict. Complicating measurements and predictions of this process is a lack of understanding between the PFAS concentrations measured in a collected environmental unsaturated soil sample, and the PFAS concentrations measured in the corresponding porewater using field-deployed lysimeters. The applicability of bench-scale batch testing to assess this relationship also remains uncertain. In this study, field-deployed porous cup suction lysimeters were used to measure PFAS porewater concentrations in unsaturated soils at 5 AFFF-impacted sites. Field-measured PFAS porewater concentrations were compared to those measured in porewater extracted in the laboratory from collected unsaturated soil cores, and from PFAS concentrations measured in the laboratory using batch soil slurries. Results showed that, despite several years since the last AFFF release at most of the test sites, precursors were abundant in 3 out of the 5 sites. Comparison of field lysimeter results to laboratory testing suggested that the local equilibrium assumption was valid for at least 3 of the sites and conditions of this study. Surprisingly, PFAS accumulation at the air-water interface was orders of magnitude less than expected at two of the test sites, suggesting potential gaps in the understanding of PFAS accumulation at the air-water interface at AFFF-impacted sites. Finally, results herein suggest that bench-scale testing on unsaturated soils can in some cases be used to inform on PFAS in situ porewater concentrations.


Assuntos
Monitoramento Ambiental , Fluorocarbonos , Poluentes do Solo , Solo , Poluentes do Solo/análise , Poluentes do Solo/química , Fluorocarbonos/química , Fluorocarbonos/análise , Solo/química , Poluentes Químicos da Água/análise , Ar/análise , Água/química
3.
Chemosphere ; 356: 141874, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38575079

RESUMO

Organophosphate esters (OPEs) have received considerable attention in environmental research due to their extensive production, wide-ranging applications, prevalent presence, potential for bioaccumulation, and associated ecological and health concerns. Low efficiency of OPE removal results in the effluents of wastewater treatment plants emerging as a significant contributor to OPE contamination. Their notable solubility and mobility give OPEs the potential to be transported to coastal ecosystems via river discharge and atmospheric deposition. Previous research has indicated that OPEs have been widely detected in the atmosphere and water bodies. Atmospheric deposition across air-water exchange is the main input route for OPEs into the environment and ecosystems. The main processes that contribute to air-water exchange is air-water diffusion, dry deposition, wet deposition, and the air-water volatilization process. The present minireview links together the source, occurrence, and exchange of OPEs in water and air, integrates the occurrence and profile data, and summarizes their air-water exchange in the environment.


Assuntos
Monitoramento Ambiental , Ésteres , Organofosfatos , Poluentes Químicos da Água , Ésteres/análise , Organofosfatos/análise , Poluentes Químicos da Água/análise , Poluentes Atmosféricos/análise , Ar/análise , Água/química , Águas Residuárias/química , Atmosfera/química , Ecossistema
4.
Electrophoresis ; 45(9-10): 916-932, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38419135

RESUMO

Biological material is routinely collected at crime scenes and from exhibits and is a key type of evidence during criminal investigations. Improvements in DNA technologies allow collection and profiling of trace samples, comprised of few cells, significantly expanding the types of exhibits targeted for DNA analysis to include touched surfaces. However, success rates from trace and touch DNA samples tend to be poorer compared to other biological materials such as blood. Simultaneously, there have been recent advances in the utility of environmental DNA collection (eDNA) in identification and tracking of different biological organisms and species from bacteria to naked mole rats in different environments, including, soil, ice, snow, air and aquatic. This paper examines the emerging methods and research into eDNA collection, with a special emphasis on the potential forensic applications of human DNA collection from air including challenges and further studies required to progress implementation.


Assuntos
DNA Ambiental , Animais , Humanos , Ar/análise , DNA Ambiental/análise , Ciências Forenses/métodos , Manejo de Espécimes/métodos
5.
Electrophoresis ; 45(9-10): 933-947, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38416600

RESUMO

Biological material is routinely collected at crime scenes and from exhibits and is a key type of evidence during criminal investigations. Touch or trace DNA samples from surfaces and objects deemed to have been contacted are frequently collected. However, a person of interest may not leave any traces on contacted surfaces, for example, if wearing gloves. A novel means of sampling human DNA from air offers additional avenues for DNA collection. In the present study, we report on the results of a pilot study into the prevalence and persistence of human DNA in the air. The first aspect of the pilot study investigates air conditioner units that circulate air around a room, by sampling units located in four offices and four houses at different time frames post-cleaning. The second aspect investigates the ability to collect human DNA from the air in rooms, with and without people, for different periods of time and with different types of collection filters. Results of this pilot study show that human DNA can be collected on air conditioner unit surfaces and from the air, with air samples representing the more recent occupation while air conditioner units showing historic use of the room.


Assuntos
DNA , Manejo de Espécimes , Humanos , DNA/análise , Projetos Piloto , Manejo de Espécimes/métodos , Ar/análise , Ar Condicionado
6.
Nature ; 623(7987): 544-549, 2023 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-37821703

RESUMO

High Mountain Asia (HMA) has experienced a spatial imbalance in water resources in recent decades, partly because of a dipolar pattern of precipitation changes known as South Drying-North Wetting1. These changes can be influenced by both human activities and internal climate variability2,3. Although climate projections indicate a future widespread wetting trend over HMA1,4, the timing and mechanism of the transition from a dipolar to a monopolar pattern remain unknown. Here we demonstrate that the observed dipolar precipitation change in HMA during summer is primarily driven by westerly- and monsoon-associated precipitation patterns. The weakening of the Asian westerly jet, caused by the uneven emission of anthropogenic aerosols, favoured a dipolar precipitation trend from 1951 to 2020. Moreover, the phase transition of the Interdecadal Pacific Oscillation induces an out-of-phase precipitation change between the core region of the South Asian monsoon and southeastern HMA. Under medium- or high-emission scenarios, corresponding to a global warming of 0.6-1.1 °C compared with the present, the dipolar pattern is projected to shift to a monopolar wetting trend in the 2040s. This shift in precipitation patterns is mainly attributed to the intensified jet stream resulting from reduced emissions of anthropogenic aerosols. These findings underscore the importance of considering the impact of aerosol emission reduction in future social planning by policymakers.


Assuntos
Ar , Altitude , Clima , Chuva , Aerossóis/análise , Ásia , Aquecimento Global , Estações do Ano , Ar/análise , Ar/normas , Atividades Humanas , Oceano Pacífico
7.
J Chromatogr A ; 1705: 464204, 2023 Aug 30.
Artigo em Inglês | MEDLINE | ID: mdl-37442069

RESUMO

The scientific foundation for per- and polyfluoroalkyl substances (PFAS) measurements in water, soils, sediments, biosolids, biota, and outdoor air has rapidly expanded; however, there are limited efforts devoted to developing analytical methods to measure vapor-phase PFAS in indoor air. A gas chromatography-tandem mass spectrometry (GC-MS/MS) method coupled with thermal desorption (TD) sorbent tube analysis was developed to quantify trace levels of fluorotelomer alcohols (FTOHs) emitted from consumer products in the indoor environment. Method evaluation included determination of instrument detection limits (IDLs), quality assurance checks of target standards purchased from different vendors, sample loss during storage, and TD sorbent breakthrough with tubes coupled in-series. The IDLs for TD-GC-MS/MS analyses ranged from 0.07 - 0.09 ng/tube. No significant loss of FTOHs was observed during stability tests over 28 days with relative standard deviations (RSDs) of spiked TD tubes ranging from 3.1 - 7.7% and the RSDs of polypropylene copolymer vial storage of standard solutions ranging from 4.3 - 8.4%. TD tube breakthrough was minimal with recovered FTOHs in the second tubes <1% of the spiked concentrations in the first tubes with carrier gas volume up to 20 L. The method has been applied to determine FTOH emissions from three consumer products in micro-scale chambers. A liquid stone cleaner/sealer product contained the highest levels of 6:2, 8:2, and 10:2 FTOHs, while the mattress pad products contained lower levels of 8:2 and 10:2 FTOHs. The emission parameters, including the initial emission factors and first order decay rate constants, were obtained based on the experimental data. The developed methods are sensitive and specific for analysis of all four target FTOHs (4:2, 6:2, 8:2, 10:2 FTOHs) with chamber testing. The methods can be extended to indoor air sampling and could be applicable to ambient air sampling.


Assuntos
Fluorocarbonos , Espectrometria de Massas em Tandem , Espectrometria de Massas em Tandem/métodos , Cromatografia Gasosa-Espectrometria de Massas/métodos , Fluorocarbonos/análise , Ar/análise
8.
Sensors (Basel) ; 23(11)2023 May 28.
Artigo em Inglês | MEDLINE | ID: mdl-37299868

RESUMO

Air quality monitoring is a very important aspect of providing safe indoor conditions, and carbon dioxide (CO2) is one of the pollutants that most affects people's health. An automatic system able to accurately forecast CO2 concentration can prevent a sudden rise in CO2 levels through appropriate control of heating, ventilation and air-conditioning (HVAC) systems, avoiding energy waste and ensuring people's comfort. There are several works in the literature dedicated to air quality assessment and control of HVAC systems; the performance maximisation of such systems is typically achieved using a significant amount of data collected over a long period of time (even months) to train the algorithm. This can be costly and may not respond to a real scenario where the habits of the house occupants or the environment conditions may change over time. To address this problem, an adaptive hardware-software platform was developed, following the IoT paradigm, with a high level of accuracy in forecasting CO2 trends by analysing only a limited window of recent data. The system was tested considering a real case study in a residential room used for smart working and physical exercise; the parameters analysed were the occupants' physical activity, temperature, humidity and CO2 in the room. Three deep-learning algorithms were evaluated, and the best result was obtained with the Long Short-Term Memory network, which features a Root Mean Square Error of about 10 ppm with a training period of 10 days.


Assuntos
Poluentes Atmosféricos , Poluição do Ar em Ambientes Fechados , Poluentes Ambientais , Humanos , Poluição do Ar em Ambientes Fechados/análise , Dióxido de Carbono/análise , Poluentes Atmosféricos/análise , Ar/análise , Poluentes Ambientais/análise , Ventilação , Ar Condicionado , Monitoramento Ambiental/métodos
9.
Sensors (Basel) ; 23(11)2023 May 29.
Artigo em Inglês | MEDLINE | ID: mdl-37299898

RESUMO

Despite its growing importance in the energy generation and storage industry, the detection of hydrogen in trace concentrations remains challenging, as established optical absorption methods are ineffective in probing homonuclear diatomics. Besides indirect detection approaches using, e.g., chemically sensitized microdevices, Raman scattering has shown promise as an alternative direct method of unambiguous hydrogen chemical fingerprinting. We investigated the suitability of feedback-assisted multipass spontaneous Raman scattering for this task and examined the precision with which hydrogen can be sensed at concentrations below 2 parts per million. A limit of detection of 60, 30, and 20 parts per billion was obtained at a pressure of 0.2 MPa in a 10-min-long, 120-min-long, and 720-min-long measurement, respectively, with the lowest concentration probed being 75 parts per billion. Various methods of signal extraction were compared, including asymmetric multi-peak fitting, which allowed the resolution of concentration steps of 50 parts per billion, determining the ambient air hydrogen concentration with an uncertainty level of 20 parts per billion.


Assuntos
Hidrogênio , Análise Espectral Raman , Análise Espectral Raman/métodos , Ar/análise
10.
Environ Sci Technol ; 57(22): 8406-8413, 2023 06 06.
Artigo em Inglês | MEDLINE | ID: mdl-37232091

RESUMO

Per- and polyfluoroalkyl substances (PFAS) are a group of chemicals of high environmental concern. However, reliable data for the air/water partition coefficients (Kaw), which are required for fate, exposure, and risk analysis, are available for only a few PFAS. In this study, Kaw values at 25 °C were determined for 21 neutral PFAS by using the hexadecane/air/water thermodynamic cycle. Hexadecane/water partition coefficients (KHxd/w) were measured with batch partition, shared-headspace, and/or modified variable phase ratio headspace methods and were divided by hexadecane/air partition coefficients (KHxd/air) to obtain Kaw values over 7 orders of magnitude (10-4.9 to 102.3). Comparison to predicted Kaw values by four models showed that the quantum chemically based COSMOtherm model stood out for accuracy with a root-mean-squared error (RMSE) of 0.42 log units, as compared to HenryWin, OPERA, and the linear solvation energy relationship with predicted descriptors (RMSE, 1.28-2.23). The results indicate the advantage of a theoretical model over empirical models for a data-poor class like PFAS and the importance of experimentally filling data gaps in the chemical domain of environmental interest. Kaw values for 222 neutral (or neutral species of) PFAS were predicted using COSMOtherm as current best estimates for practical and regulatory use.


Assuntos
Fluorocarbonos , Água , Água/química , Ar/análise , Alcanos , Fluorocarbonos/análise
11.
J Environ Sci (China) ; 130: 114-125, 2023 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-37032028

RESUMO

Volatile organic compounds (VOCs) are the dominant pollutants in industrial parks. However, they are not generally considered as part of the air quality index (AQI) system, which leads to a biased assessment of pollution in industrial parks. In this study, a supplementary assessment system of AQI-V was established by analyzing VOCs characteristics with vehicle-mounted PTR-TOFMS instrument, correlation analysis and the standards analysis. Three hourly and daily scenarios were considered, and the hierarchical parameter setting was further optimized by field application. The hourly and daily assessments revealed the evaluation factors for the discriminability of different air quality levels, practiced value for regional air quality improvement, and the reservation of general dominant pollutants. Finally, the universality testing in ZPIP successfully recognized most of the peaks, with 54.76%, 38.39% and 6.85% for O3, VOCs and NO2 as the dominant pollutant, and reflected the daily ambient air quality condition, together with the dominant pollutant. The AQI-V system with VOCs sub-index is essential for air quality evaluation in industrial parks, which can further provide scientific support to control the pollution of VOCs and the secondary pollutant, therefore significantly improve the air quality in local industrial parks.


Assuntos
Poluentes Atmosféricos , Poluição do Ar , Poluentes Ambientais , Compostos Orgânicos Voláteis , Poluentes Atmosféricos/análise , Poluição do Ar/prevenção & controle , Poluição do Ar/análise , Poluentes Ambientais/análise , Indústrias , Ar/análise , Compostos Orgânicos Voláteis/análise , Monitoramento Ambiental , China , Material Particulado/análise
12.
Med Gas Res ; 13(4): 208-211, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-37077120

RESUMO

The noble gas argon has demonstrated biological activity that may prove useful as a medical intervention. Pharmacokinetics, the disposition of the drug molecule in the body through time, is fundamental necessary knowledge to drug discovery, development and even post-marketing. The fundamental measurement in pharmacokinetic studies is blood concentration of the molecule (and its metabolites) of interest. While a physiologically based model of argon pharmacokinetics has appeared in the literature, no experimental data have been published. Thus, argon pharmaceutical development requires measurement of argon solubility in blood. This paper reports on the development of a technique based on mass spectrometry for measuring argon solubility in liquids, including blood, to be further employed in pharmacokinetics testing of argon. Based on a prototype, results are reported from sensitivity experiments using ambient air, water and rabbit blood. The key takeaway is that the system was sensitive to argon during all of the testing. We believe the technique and prototype of the quadrupole mass spectrometer gas analyzer will be capable of inferring argon pharmacokinetics through the analysis of blood samples.


Assuntos
Ar , Água , Animais , Coelhos , Argônio , Solubilidade , Espectrometria de Massas/métodos , Ar/análise , Água/química
13.
Astrobiology ; 23(4): 469-475, 2023 04.
Artigo em Inglês | MEDLINE | ID: mdl-36800170

RESUMO

The purpose of this article is to reopen from a practical perspective the question of the extent in altitude of Earth's biosphere. We make a number of different suggestions for how searches for biological material could be conducted in the mesosphere and lower thermosphere, colloquially referred to as the "ignore-osphere" because it has been generally ignored in the meteorological community compared to other regions. Relatively recent technological advances such as CubeSats in very low Earth orbit or more standard approaches such as the rocket-borne MAGIC meteoric smoke particle sampler are shown as potentially viable for sampling biological material in the ignore-osphere. The issue of contamination is discussed, and a potential solution to the problem is proposed by means of a new detector design that filters for particles based on their size and relative velocity to the detector.


Assuntos
Microbiologia do Ar , Ar , Ar/análise , Filtração , Altitude
14.
Science ; 379(6627): 16-17, 2023 01 06.
Artigo em Inglês | MEDLINE | ID: mdl-36603095
15.
Ecotoxicol Environ Saf ; 251: 114529, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36640571

RESUMO

Understanding the speciation and related influence factors of Hg in wet deposition is important to predict the fate and transport of mercury in the atmosphere. In this study, event-based samples of rainwater were collected for one year in Jinan, a northern city in eastern China. The volume-weighted mean concentration of total mercury (THg) in rainwater was 34.8 ng L-1, comparable to levels in some inland cities in China and were significantly higher than those in North America, Korea and Japan. Most of the Hg in rainwater was associated with particulates, accounted for 15.2-92.9% of THg with a mean of 66.9%, which might be attributed to the scavenging effects of high particulate-bound mercury concentrations in ambient air in urban Jinan. Dissolved mercury (DHg) accounted for 33.1% of THg, in which Hg(OH)2, HgClOH, HgCl2 and Hg(NH3)22+ are the dominant species based on the chemical equilibrium modeling simulations. THg concentrations in rainwater decreased as the rainfall amount increased owing to the dilution effect and 5 mm rainfall might be a threshold for the full wash-out capability of atmospheric Hg. For a continuous rain event, the proportion of DHg in THg could increase from 7.1% to 84.8% with the rainfall processing, especially for the species of HgClOH and HgCl2 under the influence of rainwater pH. Positive matrix factorization (PMF) analysis suggested that the major sources of Hg in rainwater were combustion emissions, marine sources, industrial emissions, as well as complexation process, which contributed to 51.4%, 24.7%, 12.2%, and 11.7% of the THg, respectively. For the specific species, the main sources varied with different Hg species, in which combustion emissions contributed one third to one half of each species sum to particulate mercury (PHg), HgClOH, HgCl2, HgBrOH and HgBrCl followed by marine sources and industrial emissions. Cluster analysis of backward trajectories revealed that polluted air masses, transported from southeast Shandong, Anhui and Jiangsu Provinces, as well as Beijing-Tianjin-Hebei region, contributed to high Hg concentration in rainwater in Jinan.


Assuntos
Poluentes Atmosféricos , Mercúrio , Mercúrio/análise , Poluentes Atmosféricos/análise , Monitoramento Ambiental , Ar/análise , Poeira/análise , China
16.
Environ Technol ; 44(7): 988-1000, 2023 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-34634999

RESUMO

The continuous degradation of environmental ecosystems (land, water and soil) resulting from crude oil exploration and exploitation activities continues to gain global attention. This study investigates the effects of crude oil exploration and exploitation activities on soil, water and air in the study area. Soil samples were collected in three replicates at depths of 0-15 and 15-30 cm at sampling distances of 20, 100 and 200 m a from core oil exploitation operation area and a control point. Water samples were also taken from within the study area and analyzed using standard procedures. Major pollutants concentrations of particulate matter (PM2.5 and PM10) of the air were also measured using Air Quality Index (AQI). The results reveal that the soil, water and air parameters measured mostly at 20 m from the core oil operation area compromise the allowable standards provided for healthy living. In the same manner, some results at 100 and 200 m were slightly higher than the recommended values in some cases of heavy metals and bacteria activities in the soil. The AQI at 20 m was far above the permissible limit provided by the Environmental Protection Agency while others are gradually drawing towards the limit given for each pollutant. To safeguard the health of the residents of the host community and oil field workers, there is a need for proper and frequent environmental monitoring and assessment by authorized regulatory bodies in Nigeria. This will prevent any future exposure which may endanger the lives of the dwellers.


Assuntos
Ar , Poluentes Ambientais , Indústria de Petróleo e Gás , Solo , Água , Nigéria , Solo/química , Água/química , Ar/análise , Poluentes Ambientais/análise , Monitoramento Ambiental , Tamanho da Partícula , Microbiologia do Solo , Qualidade da Água , Poluição do Ar/análise , Petróleo
17.
Sensors (Basel) ; 22(23)2022 Nov 25.
Artigo em Inglês | MEDLINE | ID: mdl-36501859

RESUMO

Precise and accurate measurements of ambient HNO3 are crucial for understanding various atmospheric processes, but its ultra-low trace amounts and the high polarity of HNO3 have strongly hindered routine, widespread, direct measurements of HNO3 and restricted field studies to mostly short-term, localized measurement campaigns. Here, we present a custom field-deployable direct absorption laser spectrometer and demonstrate its analytical capabilities for in situ atmospheric HNO3 measurements. Detailed laboratory characterizations with a particular focus on the instrument response under representative conditions for tropospheric measurements, i.e., the humidity, spectral interference, changing HNO3 amount fractions, and air-sampling-related artifacts, revealed the key aspects of our method: (i) a good linear response (R2 > 0.98) between 0 and 25 nmol·mol−1 in both dry and humid conditions with a limit of detection of 95 pmol·mol−1; (ii) a discrepancy of 20% between the spectroscopically derived amount fractions and indirect measurements using liquid trapping and ion chromatography; (iii) a systematic spectral bias due to water vapor. The spectrometer was deployed in a three-week field measurement campaign to continuously monitor the HNO3 amount fraction in ambient air. The measured values varied between 0.1 ppb and 0.8 ppb and correlated well with the daily total nitrates measured using a filter trapping method.


Assuntos
Poluentes Atmosféricos , Poluentes Atmosféricos/análise , Ar/análise , Nitratos , Lasers
18.
J Chromatogr A ; 1682: 463507, 2022 Oct 25.
Artigo em Inglês | MEDLINE | ID: mdl-36155078

RESUMO

Volatile halogenated compounds (VHCs) are important industrial chemicals and play a crucial role in potential stratospheric ozone-depletion and global warming. Profiling of VHCs is of great significance but replete with challenges due to the species' richness and diversity. In this study, we developed a novel method employing water removal mode combined with thermal desorption-gas chromatography-mass spectrometry (TD-GC-MS) for on-line measurement of VHCs at the ultratrace level. By removing water with Nafion dryer tandem cold trap device, VHCs could achieve better separation and identification, and detection precision of VHCs lower than 10%. The proposed method exhibited limits of detection for VHCs ranging from 0.1 to 6.2 pptv. Benefiting from the improved trapping efficiency due to water removal, we successfully quantified 34 VHCs at the Shangdianzi background station and achieved a comprehensive assessment of VHCs in ambient air.


Assuntos
Poluentes Atmosféricos , Compostos Orgânicos Voláteis , Ar/análise , Poluentes Atmosféricos/análise , Cromatografia Gasosa-Espectrometria de Massas/métodos , Ozônio Estratosférico/análise , Compostos Orgânicos Voláteis/análise , Água/análise
19.
Sci Rep ; 12(1): 15887, 2022 09 23.
Artigo em Inglês | MEDLINE | ID: mdl-36151300

RESUMO

The interest around analysis of volatile organic compounds (VOCs) within breath has increased in the last two decades. Uncertainty remains around standardisation of sampling and whether VOCs within room air can influence breath VOC profiles. To assess the abundance of VOCs within room air in common breath sampling locations within a hospital setting and whether this influences the composition of breath. A secondary objective is to investigate diurnal variation in room air VOCs. Room air was collected using a sampling pump and thermal desorption (TD) tubes in the morning and afternoon from five locations. Breath samples were collected in the morning only. TD tubes were analysed using gas chromatography coupled with time-of-flight mass spectrometry (GC-TOF-MS). A total of 113 VOCs were identified from the collected samples. Multivariate analysis demonstrated clear separation between breath and room air. Room air composition changed throughout the day and different locations were characterized by specific VOCs, which were not influencing breath profiles. Breath did not demonstrate separation based on location, suggesting that sampling can be performed across different locations without affecting results.


Assuntos
Poluentes Atmosféricos , Líquidos Corporais , Compostos Orgânicos Voláteis , Ar/análise , Poluentes Atmosféricos/análise , Líquidos Corporais/química , Testes Respiratórios/métodos , Cromatografia Gasosa-Espectrometria de Massas/métodos , Compostos Orgânicos Voláteis/análise
20.
Phys Chem Chem Phys ; 24(22): 13510-13513, 2022 Jun 08.
Artigo em Inglês | MEDLINE | ID: mdl-35640627

RESUMO

Understanding the acid/base behavior of environmentally relevant organic acids is of key relevance for accurate climate modelling. Here we investigate the effect of pH on the (de)protonation state of pyruvic acid at the air-water interface and in bulk by using the analytical techniques surface-specific vibrational sum frequency generation and attenuated total reflection spectroscopy. To provide a molecular interpretation of the observed behavior, simulations are carried out using a free energy perturbation approach in combination with electronic structure-based molecular dynamics. In both the experimental and theoretical results we observe that the protonated form of pyruvic acid is preferred at the air-water interface. The increased proton affinity is the result of the specific microsolvation at the interface.


Assuntos
Ar , Água , Ar/análise , Simulação de Dinâmica Molecular , Ácido Pirúvico , Análise Espectral , Água/química
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