Polycyclic Aromatic Hydrocarbons Species Research Articles

Development of a green microextraction procedure for determining polyaromatic hydrocarbons in electronic equipment plastics

The global proliferation of electronic devices, driven by technological advancements, has led to the release of organic pollutants from the plastic components of these devices, particularly in indoor environments. Among these pollutants, polycyclic aromatic hydrocarbons (PAHs), which are emitted into the air from plastic components, play a critical role in the field of indoor environment pollution. Consequently, effectively monitoring the PAH content in plastics used in electronic equipment is crucial for preventing indoor contamination.In this study we aimed to develop a fast, inexpensive, easy, and environmentally friendly analysis method for determining PAH content in plastic equipment. A dispersive liquid liquid microextraction (DLLME) combined with solidified organic drop (SFO) microextraction technique was developed.Considering the eleven number of parameters that can affect the signal in the DLLME-SFO method, Plackett Burmann's design was applied to select the most three impactful parameters for 18 PAH species. A Box-Behnken experimental design was also applied to optimize the identified parameters. The optimal conditions for the most influential parameters such as solvent type, pH, and the sample weight were identified as 1-dodecanol, 12 and 0.24 g, respectively.The proposed method was validated under these optimized conditions, yielding low detection limits ranging from 0.004 to 0.11 ng mL−1. The calibration curves were linear with correlation coefficients above 0.98 and relative standard deviation (RSD) values ranging from 2.4% to 20%. This method was successfully applied to analyze PAH content in the plastic components of electronic devices. The extraction technique developed in this study is a newly developed technique and has not been previously used to analyze organic pollutants that may be present in electronic equipment plastic.

Characterising polycyclic aromatic hydrocarbons in road dusts and stormwater in urban environments.

The presence of polycyclic aromatic hydrocarbons (PAHs) pollution on urban road surfaces is one of the major environmental concerns. However, knowledge on the distribution variability of PAHs in road dusts (RDS) and stormwater is limited, which would restrict the further risk evaluation and mitigation implementation of PAHs in road stormwater runoff. This study collected RDS samples and stormwater samples on fourteen urban roads in Shenzhen, China. This study investigated the variation of sixteen PAHs species in RDS and stormwater, and further evaluated the intrinsic and extrinsic factors which influence PAHs accumulation on urban road surfaces. The research outcomes showed significant differences on spatial distribution of PAHs in RDS and in stormwater. The land use types, industrial, commercial and port areas and vehicular volume have a positive relationship with PAHs abundance while dust particle size showed a negative correlation with PAHs abundance. For two phases in stormwater, fluctuation of PAHs with the rainfall duration in total dissolved solid (TDS) was more intensive than in dissolved liquid phase (DLP). This indicated when PAHs attached to RDS enter stormwater, most of PAHs still tend to be on solid particles than in liquid. The study outcomes are expected to contribute to efficient designs of PAHs polluted stormwater mitigation.

Seasonal variation, source identification, and health risk assessment of atmospheric polycyclic aromatic hydrocarbons (PAHs) in Ulsan, South Korea

Gaseous and particulate 21 PAHs were monitored at a residential site in Ulsan, South Korea, over three seasons (December 2013–August 2014). The mean concentrations of Σ21 PAHs were highest in winter (16.2 ± 8.2 ng/m3), followed by spring (8.37 ± 4.53 ng/m3) and summer (6.23 ± 2.53 ng/m3). The mean gaseous concentration of Σ21 PAHs (7.39 ± 4.39 ng/m3) was 2.7 times higher than that of particulate PAHs (2.70 ± 3.38 ng/m3). To identify the sources of PAHs (both types of sources and their areas), diagnostic ratios, principal component analysis, and concentration-weighted trajectory (CWT) were used. The results showed that pyrogenic sources (e.g., coal combustion) were the primary emission sources of PAHs in winter and spring. In summer, the influence of both coal and heavy oil combustion was dominant, suggesting that PAHs could be transported from industrial areas of Ulsan (e.g., petrochemical and nonferrous industrial complexes) by seasonal winds. Regarding emission source areas, the CWT analysis revealed that in winter and spring, PAHs in Ulsan could be attributed to emissions from regional areas, e.g., China and North Korea. The PAH concentrations were also used to assess the health risks associated with the inhalation of these compounds for adults aged 18–70. The results showed that the cancer risks from Σ19 PAHs and Σ13 PAHs did not exceed the guideline set by the US EPA (10−6), indicating no cancer risks for this target group. However, it is worth noting that certain PAHs, which are not listed as priority PAHs by the US EPA, make significant contributions to the benzo[a]pyrene equivalent and the associated cancer risks. Therefore, it is necessary to investigate not only the priority PAHs but also other PAH species to fully evaluate their effect on human health.

Compact and accurate chemical mechanism for methane pyrolysis with PAH growth

A reliable and compact chemical mechanism of gas-phase methane pyrolysis leading to formation of large polycyclic aromatic hydrocarbon (PAH) molecules has been developed. This model is designed for studies of carbon nanostructure synthesis such as carbon black and graphene flakes, including soot growth kinetics. Methane pyrolysis with carbon nanostructure synthesis is a two-stage process where conversion of CH4 to C2H2 precedes the growth of PAH molecules from acetylene. We present a single chemical mechanism that accurately describes both stages. We have constructed a compact and accurate chemical mechanism capable of modeling both stages of methane pyrolysis based on the ABF [1] mechanism which was expanded with the most prominent reaction pathways from the mechanism by Tao [2] for small PAH molecules and HACA pathways for larger PAH molecules, up to 37 aromatic rings. The resulting mechanism was validated through comparison to multiple available sets of experimental data. Good agreement with the experimental data for both processes was obtained. Performance of the mechanism was tested for pyrolysis of methane-rich mixtures under long residence times leading to abundant formation of PAH molecules. It is shown that the inclusion of larger PAH species (up to A37) in the chemical mechanism is important for accurate prediction of the fraction of carbon converted to PAH molecules and, correspondingly, the residual fraction of acetylene in the mixture. The mechanism file is available upon request.

Characterisation of polycyclic aromatic hydrocarbons associated with indoor PM0.1 and PM2.5 in Hanoi and implications for health risks

Polycyclic aromatic hydrocarbons (PAHs) associated with indoor PM pose a high risk to human health because of their toxicity. A total of 160 daily samples of indoor PM2.5 and PM0.1 were collected in Hanoi and analysed for 15 PAHs. In general, the concentrations of carcinogenic PAHs (car-PAHs) accounted for 21% ± 2%, 19.1% ± 2%, and 26% ± 3% of the concentrations of 15 PAHs in PM2.5, PM0.1-2.5, and PM0.1, respectively. Higher percentages of car-PAHs were found in smaller fractions (PM0.1), which can be easily deposited deep in the pulmonary regions of the human respiratory tract. The concentrations of 15 PAHs were higher in winter than in summer. The most abundant PAH species were naphthalene and phenanthrene, accounting for 11%–21% and 19%–23%, respectively. The PAH content in PM0.1 was almost twice as high as those in PM2.5 and PM0.1-2.5. Principal component analysis found that vehicle emissions and the combustion of biomass and coal were the main outdoor sources of PAHs, whereas indoor sources included cooking activities, the combustion of incense, scented candles, and domestic uses in houses. According to the results, 60%–90% of the PM0.1-bound BaP(eq) was deposited in the alveoli region, whereas 63%–75% of the PM2.5-bound BaP(eq) was deposited in head airways (HA), implying that most of the particles deposited in the HA region were PM0.1-2.5. The contributions of dibenz[a,h]anthracene and benzo[a]pyrene were dominant and contributed from 36% to 51% and 31%–50%, respectively, to the carcinogenic potential, whereas benzo[a]pyrene contributed from 30% to 49% to the mutagenic potential for both size fractions. The incremental lifetime cancer risk, simulated by Monte Carlo simulation, was within the limits set by the US EPA, indicating an acceptable risk for the occupants. These results provide an additional scientific basis for protecting human health from exposure to indoor PAHs.

Understanding of gas-phase methane pyrolysis towards hydrogen and solid carbon with detailed kinetic simulations and experiments

Methane (CH4) pyrolysis is studied in a tubular flow reactor for the production of hydrogen and solid carbon by combining kinetic modelling, numerical simulation and experiments in a high-temperature flow reactor. Operating conditions are varied such as temperature in the range of 1273–1873 K, hydrogen addition to the feed with a molar H2:CH4 ratio between 0 and 4, and residence time in the range of 3–7 s. Elementary-step reaction mechanisms consisting of pyrolysis and carbon coupling reactions among C1, C2, aromatic and polycyclic aromatic hydrocarbon species are used in the numerical simulations of the species profiles in flow direction. A thermodynamic analysis is performed to acquire the boundary conditions for operation as well to estimate probable by-products (C2H2, C2H4, C2H6, C6H6, C16H10 etc.) over the temperature range. Gas-phase kinetic modelling is performed revealing that CH4 conversion starts at temperatures above 1273 K. Higher temperatures increase CH4 conversion and H2 yield peaking at 1573 K. The cooling temperature gradient downstream of the hot zone in the reactor causes reverse reactions in gas-phase suppressing CH4 conversion. H2 addition to the feed is found to be a crucial parameter for controlling the by-product formation. In the experimental study, a solid carbon yield of 84 % is achieved while gaseous by-products remain less than 1 mol-% at 1673 K, H2:CH4 ratio of 2, and residence time of 5 s. Gas-phase reactions are found to be coupled to surface reactions at higher temperatures.

Wet deposition of polycyclic aromatic hydrocarbons in a remote area of Central South China from 2014 to 2017

AbstractIn recent years, there has been a notable increase in the consumption of fossil energy, leading to a significant rise in environmental pollution, particularly in China due to its rapid development. This has resulted in the frequent occurrence of large‐scale fog and haze weather, highlighting the urgent need for environmental protection measures. To gain insights into the atmospheric conditions in China, an analysis was conducted on the wet deposition of polycyclic aromatic hydrocarbons (PAHs) in a remote region of Central South China from 2014 to 2017. The study revealed that the average concentrations and peak values of Ʃ16PAHs in 2014 and 2015 were considerably higher than those observed in 2016 and 2017. Furthermore, it was found that five‐ring PAH species were the predominant components during 2014 and 2015, indicating a shift in the main sources of PAHs. The peaks of Ʃ16PAHs were predominantly detected in samples collected during light rain in the winter, specifically on days without heavy rainfall. This can be attributed to the absence of heavy rain, which would otherwise reduce the concentration of air pollutants. Consequently, contaminants accumulated in the air are easily enriched in rainwater. The concentrations of Ʃ15Alkyl‐PAHs also exhibited a significant correlation with the number of rainfall days. Notably, a much higher annual average concentration of Ʃ15Alkyl‐PAHs was observed in 2017, which experienced fewer rainfall days. Coal combustion, petroleum sources, and vehicular emissions accounted for 58%, 12%, and 30% of the PAHs in the air, respectively. Despite improvements in air quality in China since 2016, it is crucial to address the elevated concentrations of PAHs in the atmosphere, particularly under adverse meteorological conditions characterized by reduced rainfall.

Polycyclic aromatic hydrocarbon molecules and the 2175Å interstellar extinction bump

ABSTRACT The exact nature of the 2175$\mathring{\rm A}$ extinction bump, the strongest spectroscopic absorption feature superimposed on the interstellar extinction curve, remains unknown ever since its discovery in 1965. Popular candidate carriers for the extinction bump include nano-sized graphitic grains and polycyclic aromatic hydrocarbon (PAH) molecules. To quantitatively evaluate PAHs as a possible carrier, we perform quantum chemical computations for the electronic transitions of 30 compact, pericondensed PAH molecules and their cations as well as anions with a wide range of sizes from 16 to 96 C atoms, and a mean size of 43 C atoms. It is found that a mixture of such PAHs, which individually exhibit sharp absorption features, show a smooth and broad absorption band that resembles the 2175$\mathring{\rm A}$ interstellar extinction bump. Arising from π* ← π transitions, the width and intensity of the absorption bump for otherwise randomly selected and uniformly weighted PAH mixtures, do not vary much with PAH sizes and charge states, whereas the position somewhat shifts to longer wavelengths as PAH size increases. While the computed bump position, with the computational uncertainty taken into account, appears to agree with that of the interstellar extinction bump, the computed width is considerably broader than the interstellar bump if the molecules are uniformly weighted. It appears that, to account for the observed bump width, one has to resort to PAH species of specific sizes and structures.

Emission profiles, source identifications, and health risk of polycyclic aromatic hydrocarbons (PAHs) in a road tunnel located in Xi'an, China.

Understanding the sources and characteristics of PM2.5-bound PAHs from traffic-related pollution can provide valuable data for mitigating air contamination from traffic in local urban regions. However, little information on PAHs is available regarding the typical arterial highway-Qinling Mountains No.1 tunnel in Xi'an. We estimated the profiles, sources, and emission factors of PM2.5-bound PAHs in this tunnel. The total PAH concentrations were 22.78 ng·m-3 and 52.80 ng·m-3 at the tunnel middle and exit, which were 1.09 and 3.84 times higher than that at the tunnel entrance. Pyr, Flt, Phe, Chr, BaP, and BbF were the dominant PAH species (representing approximately 78.01% of total PAHs). The four rings PAHs were dominant (58%) among the total PAH concentrations in PM2.5. The results demonstrated that diesel and gasoline vehicles exhaust emissions contributed 56.81% and 22.60% to the PAHs, respectively, while the corresponding value for together brakes, tyre wear, and road dust was 20.59%. The emission factors of total PAHs were 29.35 μg·veh-1·km-1, and emission factors of 4 rings PAHs were significantly higher than those of the other PAHs. The sum of ILCR was estimated to be 1.41×10-4, which accorded with acceptable level of cancer risk (10-6-10-4), PAHs should not ignored as they still affect the public health of inhabitants. This study shed light on PAH profiles and traffic-related sources in the tunnel, thereby facilitating the assessment of control measures targeting PAHs in local areas.

A kinetic modeling study on the effect of alkylbenzenes structure on PAH formation at elevated pressures

Alkylbenzene is one of the significant components of practical transport fuel, which is considered as the main reason leading to serious emissions of polycyclic aromatic hydrocarbon (PAH) from combustion processes. This work reports a kinetic modeling study on the impact of alkylbenzenes structure, i.e., the length and number of the alkyl side chain, on PAH formation at elevated pressures. A detailed kinetic model has been established and a large number of reactions concerning the PAH species formation have been updated according to the latest theoretical studies. The model is then verified by the previous experimental data containing the concentration profiles of PAH species. The fuel decomposition reactivity and the mole fraction curves of monocyclic aromatic hydrocarbon and polycyclic aromatic hydrocarbon can be well predicted by the present model. The kinetic analysis indicates that the dominant formation pathways of PAHs are barely influenced by the alkyl side chain length, especially at the high-temperature window. In the A1_C1-C4 linear alkylbenzenes pyrolysis system, the formation of benzene is mainly affected by the competition between the combination reaction of C5H3 with CH3 and the ipso-substitution reaction of A1CH3 by H. Unlike the A1_C1-C4 linear alkylbenzenes pyrolysis chemistry, fuel-related reactions associated with the formation of PAHs become more usual as the number of alkyl side chain increases, such as the formation pathway of C9 species in the pyrolysis chemistry of o-xylene and the formation pathway of phenanthrene in the oxidation chemistry of 1,3,5-trimethylbenzene.

Calculated cancer risks for polycyclic aromatic hydrocarbon mixtures in mainstream smoke of cigarettes sold in China

China is the world's largest consumer of cigarettes. However, the potential cancer risk posed by polycyclic aromatic hydrocarbons (PAHs) in mainstream cigarette smoke, especially species other than benzo[a]pyrene (BaP) remains unclear. In this study, we collected yield data on multiple PAH species from a variety of cigarettes in the China market and calculated their smoking-related incremental lifetime cancer risk (ILCR) values. The computed ILCRs of the total PAHs (ILCRΣPAHs) for ≥95% of the brands were one order of magnitude higher than the acceptable level. ILCRBaP accounted for only 5.0%–37.7% of ILCRΣPAHs among brands, indicating that using single analyte BaP to represent ΣPAHs would significantly underestimate ILCRΣPAHs. No clear trend of changes in ILCRΣPAHs was found for Chinese cigarettes over multiple years, suggesting that smoking cessation is still the best option to minimize the cancer risk of PAHs. The comparison study showed that rarely reported PAHs from Chinese cigarettes can contribute over half of ILCRΣPAHs for several American cigarettes, highlighting the imperativeness to improve the diversity of analytes for Chinese cigarettes. Adults would need to inhale the air-borne PAHs with a BaP equivalent concentration of at least 53.1 ng/m3 to reach the ILCR value comparable to that obtained from smoking.

Turbulent processing of PAHs in protoplanetary discs

Context. Polycyclic aromatic hydrocarbons (PAHs) have been detected in numerous circumstellar discs. Despite the correlation between stellar temperature and low PAH detections rates, the diversity of PAH detections and non-detections at similar stellar properties is not well understood. Aims. We propose the continuous processing of PAHs through clustering, adsorption on dust grains, and their reverse-processes as key mechanisms to reduce the emission-capable PAH abundance in protoplanetary discs. This cycle of processing is driven by vertical turbulence in the disc mixing PAHs between the disc midplane and the photosphere. Methods. We used a theoretical Monte Carlo model for photodesorption in the photosphere and a coagulation code in the disc midplane to estimate the relevance and timescale of these processes in a Herbig Ae/Be disc environment. By combining these components in a 1D vertical model, we calculated the gas-phase depletion of PAHs that stick as clusters on dust grains. Results. Our results show that the clustering of gas-phase PAHs is very efficient, and that clusters with more than 100 monomers can grow for years before they are able to freeze out in the disc midplane. Once a PAH cluster is frozen on the dust grain surface, the large heat capacity of these clusters prevents them from evaporating off the grains in UV-rich environments such as the photosphere. Therefore, the clustering of PAHs followed by freeze-out can lead to a depletion of gas-phase PAHs in protoplanetary discs. We find that this mechanism is more efficient when the PAH species has fewer carbon atoms. In contrast, PAH monomers and very small clusters consisting of a few monomers can easily detach from the grain by absorption of a single UV photon. Evaluated over the lifetime of protoplanetary discs, we find a depletion of PAHs by a factor that ranges between 50 and 1000 compared to the standard ISM abundance of PAHs in the inner disc through turbulent processing. Conclusions. Through these processes, we favour PAHs smaller than circumovalene (C66H20) as the major gas-phase emitters of the disc photosphere as larger PAH monomers cannot photodesorb from the grain surface. These gas-phase PAHs co-exist with large PAH clusters sticking on dust grains. We find a close relation between the amount of PAHs frozen out on dust grains and the dust population, as well as the strength of the vertical turbulence.

Environmental and health impacts of household energy conversion on PAHs and their derivatives in PM2.5 in typical areas of northern China

Heavy use of solid fuels in rural households of northern China emits huge amounts of fine particulate matter (i.e., PM2.5) that pose notable indoor air pollution and severe inhalation health risks. In this study, the environmental and health benefits of clean energy substitution were accessed by monitoring indoor and personal exposure to polycyclic aromatic hydrocarbons (PAHs) and their derivatives, and pulmonary function and biological parameters. After substitutions of traditional lump coal and biomass fuels by clean coal, indoor concentrations of parent PAHs (p-PAHs), alkylated PAHs (a-PAHs), oxygenated PAHs (o-PAHs), and nitro PAHs (n-PAHs) reduced by 71 %, 32 %, 70 %, and 76 %, while personal exposure concentrations decreased by 82 %, 87 %, 93 %, and 86 %, respectively. However, the proportion of low molecular weight PAHs increases, especially for 2-ring a-PAHs and 3-ring n-PAHs. Domestic solid fuel burning induces greater damage to the small airway than the large airway. Pulmonary function parameter reductions in the clean coal group are much less than those in the other two fuel groups. Salivary interleukin-6 (IL-6) and 8-hydroxy-2′-deoxyguanosine (8-OHdG) significantly correlated with PAH species, among which p-PAHs and PAHs derivatives strongly with IL-6 and 8-OHdG, respectively. The correlation between PAHs and biomarkers in urine is insignificant. In addition, the use of clean coal can reduce the cancer risk for the four classes of PAHs by 60 %–97 %, mainly owing to the lower contributions from p-PAHs and o-PAHs. The result of the study provides scientific support for clean energy retrofit and an understanding of health benefits from solid fuel substitutions.

Analysis of Polycyclic Aromatic Hydrocarbon Emissions from a Pilot Scale Silicon Process with Flue Gas Recirculation

Flue gas recirculation (FGR) is a method used in several industries to control emissions and process conditions, such as NOx reduction and temperature levels, and increase the CO2 concentration in the off-gas, to be better suited for methods of carbon capture. In this study, the influence of FGR, varying levels of flue gas flow and oxygen concentration on the emissions of polycyclic aromatic hydrocarbons (PAHs) was investigated during Si alloy production. In addition, computational fluid dynamics (CFD) modeling was performed using OpenFOAM for combustion of C2H2 and H2 with varying O2 levels to simulate FGR and to gain better insight into the impact of furnace operations on the PAH evolution. Experimental results show that increasing FGR (0–82.5%) and decreasing levels of oxygen (20.7–13.3 vol %) increase the PAH-42 concentration from 14.1 to 559.7 μg/Nm3. This is supported by the simulations, where increased formation of all PAHs species was observed at high levels of FGR, especially for the lighter aromatic species (like benzene and naphthalene), due to the lower availability of oxygen and the reduction in temperature. Residence time was identified as another key parameter to promote complete combustion of PAHs. Benzene oxidation can be prevented with temperatures lower than 1000 K and residence times smaller than 1 s, while complete oxidation is found at temperatures of around 1500 K.

Characterizing polycyclic aromatic hydrocarbons on road dusts in Shenzhen, China: implications for road stormwater reuse safety.

Urban road stormwater reuse is one of the most effective ways to mitigate water resource shortage. However, due to a diversity of human activities such as traffic, various toxic pollutants can be deposited on road surfaces during dry periods and washed off during wet periods, threatening stormwater reuse safety. Among these pollutants, polycyclicaromatichydrocarbons (PAHs) have been widely found in road stormwater. This study selected twelve road sites in Shenzhen, China, and investigated PAHs deposited on urban roads and their influential factors (traffic characteristics, land use and road surface condition). The research outcomes showed that high-molecular-weight PAH species (5-6 benzene rings) had higher concentrations and variability on spatial distributions than light-molecular-weight ones (2-4 benzene rings). Additionally, more PAHs were attached to dusts with small particle sizes (< 150µm), and among influential factors, commercial land use showed a stronger correlation with PAHs distributions, regardless of particle sizes. Furthermore, it is noteworthy that traffic volume did not have an important influence on PAH generations on roads, while the source tracking results did indicate that traffic activities were the main contributor of PAHs. This implies that other traffic characteristics such as frequent go-and-stop activities might also contribute PAHs on roads. This means that areas with frequent traffic congestions could be the "hot spot" areas of PAHs, although the traffic volume might be not high. These research outcomes can provide useful insight into effective stormwater management and ensuring their reuse safety.

Polycyclic aromatic hydrocarbons (PAHs) and soot formations under different gasifying agents: Detailed chemical kinetic analysis of a two-stage entrained flow coal gasifier

The injection of CO2 with coal into coal gasifier is a promising approach to achieve CO2 recirculation. Predicting the formation and evolution of polycyclic aromatic hydrocarbons (PAHs) and soot during coal gasification is particularly important as their presence poses challenges to the gasifier operation and environment. However, the effect of CO2 injection on their formation must be elucidated in more detail to optimize the gasifier design. This work investigates PAHs and soot formations in gas-phase reactions under different gasifying agents (Air, O2/CO2, O2/H2O) in a two-stage entrained flow coal gasifier using a detailed chemical kinetic model (DCKM). Under the O2/CO2– and O2/H2O-blown conditions, aromatics reforming was progressed whereas the yields of tar and soot were effectively suppressed. The benzene was observed as the most abundant PAHs species, followed by naphthalene and acenaphthalene. Regarding the relative oxygen concentration, the conversion behavior of aromatics was significantly influenced in the O2/CO2-blown condition, while the somewhat effect was found in the O2/H2O-blown condition. Tar yield peaked at 50% relative oxygen concentration in the O2/CO2-blown condition. The present finding may have practical significance in the O2/CO2-blown gasifier to facilitate CO2 recirculation for the oxy-fuel IGCC system.

Effects of biodegradable and non-biodegradable microplastics on bacterial community and PAHs natural attenuation in agricultural soils

Anthropogenic activities such as in situ straw incineration and the widespread use of agricultural film led to the accumulation of polycyclic aromatic hydrocarbons (PAHs) and microplastics (MPs) in agricultural soils. In this study, four biodegradable MPs (BPs), including polylactic acid (PLA), polybutylene succinate (PBS), poly-β-hydroxybutyric acid (PHB) and poly (butylene adipate-co-terephthalate) (PBAT) and non-biodegradable low-density polyethylene (LDPE) were selected as representative MPs. The soil microcosm incubation experiment was conducted to analyze MPs effects on PAHs decay. MPs did not influence PAHs decay significantly on day 15 but showed different effects on day 30. BPs reduced PAHs decay rate from 82.4% to 75.0%− 80.2% with the order of PLA < PHB < PBS < PBAT while LDPE increased it to 87.2%. MPs altered beta diversity and impacted the functions to different extents, interfering in PAHs biodegradation. The abundance of most PAHs-degrading genes was increased by LDPE and decreased by BPs. Meanwhile, PAHs speciation was influenced with bioavailable fraction elevated by LDPE, PLA and PBAT. The facilitating effect of LDPE on 30-d PAHs decay can be attributed to the enhancement of PAHs-degrading genes and PAHs bioavailability, while the inhibitory effects of BPs were mainly due to the response of the soil bacterial community.

Gas Particle Partitioning of PAHs Emissions from Typical Solid Fuel Combustions as Well as Their Health Risk Assessment in Rural Guanzhong Plain, China.

Air pollutants from the incomplete combustion of rural solid fuels are seriously harmful to both air quality and human health. To quantify the health effects of different fuel-stove combinations, gas and particle partitioning of twenty-nine species of polycyclic aromatic hydrocarbons (PAHs) emitted from seven fuel-stove combinations were examined in this study, and the benzo (a) pyrene toxicity equivalent (BaPeq) and cancer risks were estimated accordingly. The results showed that the gas phase PAHs (accounting for 68-78% of the total PAHs) had higher emission factors (EFs) than particulate ones. For all combustion combinations, pPAHs accounted for the highest proportion (84.5% to 99.3%) in both the gas and particulate phases, followed by aPAHs (0.63-14.7%), while the proportions of nPAHs and oPAHs were much lower (2-4 orders of magnitude) than pPAHs. For BaPeq, particulate phase PAHs dominated the BaPeq rather than gas ones, which may be due to the greater abundance of 5-ring particle PAHs. Gas and particle pPAHs were both predominant in the BaPeq, with proportions of 95.2-98.6% for all combustion combinations. Cancer risk results showed a descending order of bituminous coal combustion (0.003-0.05), biomass burning (0.002-0.01), and clean briquette coal combustion (10-5-0.001), indicating that local residents caused a severe health threat by solid fuel combustion (the threshold: 10-4). The results also highlighted that clean briquette coal could reduce cancer risks by 1-2 orders of magnitude compared to bulk coal and biomass. For oPAH, BcdPQ (6H-benzo(c,d)pyrene-6-one) had the highest cancer risk, ranging from 4.83 × 10-5 to 2.45 × 10-4, which were even higher than the total of aPAHs and nPAHs. The dramatically high toxicity and cancer risk of PAHs from solid fuel combustion strengthened the necessity and urgency of clean heating innovation in Guanzhong Plain and in similar places.

Integrated Insights into Source Apportionment and Source-Specific Health Risks of Potential Pollutants in Urban Park Soils on the Karst Plateau, SW China.

The online version contains supplementary material available at 10.1007/s12403-023-00534-3.

Laboratory hydrogenation of the photo-fragments of PAH cations: Co-evolution interstellar chemistry

To investigate co-evolution interstellar chemistry, we studied the gas-phase hydrogenation processes of possible photo-fragments of large polycyclic aromatic hydrocarbon (PAH) cations. Our experimental results show that hydrogenated photo-fragments of hexa-peri-hexabenzocoronene (HBC, C42H18) cations are efficiently formed. The predominance of even-mass fragments (C42H2n+, n = [0–9]) is observed in the photo-fragmentation experiments, while no even-odd hydrogenated mass patterns are observed in the hydrogenation experiments. We investigated the structure of these newly formed hydrogenated photo-fragments and the bonding energies for the reaction pathways with quantum chemistry calculations. We used a molecular kinetic reaction model to simulate the hydrogenation processes of the photo-fragments (e.g. C42H12+) as a function of the reaction time under the experimental conditions. We obtain the possible structure distribution of the newly formed hydrogenated fragments of C42H18+ and the infrared (IR) spectra of these possible molecules. We infer that the hydrogenation and photo-dehydrogenation channels are not reversible reaction channels. Hydrogenation tends to be more random and disorderly, with no restrictions or requirements for the carbon reaction sites of PAH species. As a result, under the co-evolution interstellar chemistry network, there is little chance that PAH compounds return to their initial state through hydrogenation processes after photo-dehydrogenation. Consequently, the hydrogenation states and forms of PAH compounds are intricate and complex in the interstellar medium (ISM).