PM2.5-bound phthalates and phthalate substitutes in a megacity of southern China: spatioseasonal variations, source apportionment, and risk assessment

Huang, Yuqi; Zeng, Yuan; Wang, Tao; Chen, She-Jun; Guan, Yao; Mai, Bi-Xian

doi:10.1007/s11356-022-18784-0

Cited by 13 publications

(16 citation statements)

References 56 publications

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“…The mechanism of radical decomposition of Dimethyl Phthalate (or it homologues) can also be important for the environment chemistry due to its using as the repellent against mosquitoes, flies and several others insects, 58 as well as the plasticizer for the plastics 59,60 and for the solid rocket propellents 61 . Moreover, the contribution of the radical driven reactions to its repellent effect on insects can also be considered.…”

Section: Resultsmentioning

confidence: 99%

“…The emission of these compounds (p-Benzylphenol and its homologues) to the atmosphere can be assumed due their possible formation during the natural (forest fires) or anthropogenic burning of the biomass, contained lignin. 1 The mechanism of radical decomposition of Dimethyl Phthalate (or it homologues) can also be important for the environment chemistry due to its using as the repellent against mosquitoes, flies and several others insects, 58 as well as the plasticizer for the plastics 59,60 and for the solid rocket propellents. 61 Moreover, the contribution of the radical driven reactions to its repellent effect on insects can also be considered.…”

Section: Potentially Important Reactions Of the Formation Of Y Radicalsmentioning

confidence: 99%

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The values of Δ_fH^o_298.15 and S^o_298.15 of the radicals formed by the abstraction of H atom from the p‐Benzylphenol and Dimethyl Phthalate

Poskrebyshev

2022

Int J of Chemical Kinetics

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In the present work, the thermochemical properties of the radicals (Y j ), formed by abstraction of H atom from Dimethyl Phthalate (o-Ph(C(O)OCH 3 ) 2 ) and p-Benzylphenol (p-PhCH 2 PhOH), are determined at the B3LYP/6-311++G(d,p) (j = 1), M06-2X/6-311++G(d,p) (j = 2), and RO/CBS-4 M (j = 3 and 4) levels of theory. Their calculated values of H o 298.15 (Y j , CALC) are used for the determination of thermochemistry of atomization (Δ r H o 298.15 (Y j ,CALC) atom ) and homodesmotic (Δ r H o 298.15 ((R Yi ) j ,CALC) REAC ) reactions of considered radicals. The reported calibration dependencies are used for the correction of calculated values and determination of the most consistent and accurate values of Δ f H o 298.15 and Δ f G o 298.15 . It is found that o-CH 3 OC(O)PhC(O)OCH 2 • (1C), p-PhC • HPhOH (1D) and p-PhCH 2 PhO • (3D) are the most thermochemically stable structures. The intersection of reported 3SE j (= 3σ j ) intervals of Δ f H o 298.15 (1C j ,CORR) atom of atomization results the value of Δ f H o 298.15 (1C,CORR) MEAN = −405.1 ± 1.3 kJ/mol (±3SE Y = 3σ Y ), while, the most accurate values of Δ f H o 298.15 (1D and 3D,CORR) REACMEAN = 114.7 ± 0.4 and 135.8 ± 5 kJ/mol (± 3SE YREAC = 3σ YREAC ) are determined using the values Δ f H o 298.15 ((R Yi ) j ,CORR) REAC of homodesmotic reactions. The values of Δ f G o 298.15 , determined using the values of Δ f H o 298.15 and S o 298.15 of these radicals, demonstrate that the exothermic reaction (17) HO 2 • + p-PhCH 2 PhOH → H 2 O 2 + p-PhC • HPhOH (-22.9 kJ/mol) is thermochemically more favorable than the reaction (19) HO 2 • + p-PhCH 2 PhOH → H 2 O 2 + p-PhCH 2 PhO • (-1.8 kJ/mol).However, the value of k T (17) = 1.63 × 10 -14 (T/298.15) 3.6 e (-6282/T) , calculated using the VTST, is kinetically more favorable at elevated temperatures, while, the reaction (19) (k T (19) = 1.04×10 -16 (T/298.15) 2.17 e (-5207/T) ) is more important at T < 200 K. The thermochemical properties of these radicals, as well as the calculated rate constants of their formation in reactions of HO 2 • radicals with p-Benzylphenol, are reported for the first time.

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Section: Resultsmentioning

confidence: 99%

Section: Potentially Important Reactions Of the Formation Of Y Radicalsmentioning

confidence: 99%

The values of Δ_fH^o_298.15 and S^o_298.15 of the radicals formed by the abstraction of H atom from the p‐Benzylphenol and Dimethyl Phthalate

Poskrebyshev

2022

Int J of Chemical Kinetics

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“…The results were consistent with previous findings [ 55 ]. For example, PAEs in ambient PM 2.5 in Hong Kong [ 20 ] and Guangzhou, China [ 56 ] showed a seasonal pattern of summer > winter. Seasonal variations for PAEs in ambient air could be attributed to emission sources (industry, anthropogenic activities) and dispersion conditions [ 52 ].…”

Section: Resultsmentioning

confidence: 99%

“…Studies indicated that outdoor DnBP and DEHP were mainly from rubber and plastic production, fuel emissions, and end-use commercial PVC products [ 6 ]. In addition, Huang et al (2022) [ 56 ] found that industrial activities and municipal waste treatment facilities (e.g., e-waste dismantling) could be the sources of PM 2.5 -bound DEHP in the ambient air of Guangzhou. Component 1 could also be related to PAEs released from sludges and the surrounding environment into the atmosphere.…”

Section: Resultsmentioning

confidence: 99%

“…To put measured and estimated values in the context of related health risks, we assessed inhalation risks of exposure to particle-bound DEHP due to its carcinogenetic potential. Huang et al (2022) [ 56 ] suggested that body weight is a critical factor influencing the cancer risk estimation for inhalation exposure to DEHP, followed by inhalation rate and exposure concentrations. Thus, we incorporated these variables in the assessment at the individual level.…”

Section: Resultsmentioning

confidence: 99%

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Occurrence and Risk Assessment of Personal PM2.5-Bound Phthalates Exposure for Adults in Hong Kong

Chen

Ward

et al. 2022

IJERPH

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We performed personal PM2.5 monitoring involving 56 adult residents in Hong Kong. Additionally, paired personal and residential indoor fine particle (PM2.5) samples were collected from 26 homes and from 3 fixed monitoring locations (i.e., outdoor samples). Six PM2.5-bound phthalate esters (PAEs)—including dimethyl phthalate (DMP), diethyl phthalate (DEP), di-n-butyl phthalate (DnBP), butyl benzyl phthalate (BBP), di(2-ethylhexyl) phthalate (DEHP), and di-n-octyl phthalate (DnOP)—were measured using a thermal desorption–gas chromatography/mass spectrometer method. Average ∑6PAEs (i.e., summation of six PAE congeners) concentrations in personal PM2.5 exposure (699.4 ng/m3) were comparable with those in residential indoors (646.9 ng/m3), and both were slightly lower than the outdoor levels. DEHP was the most abundant PAE congener (80.3%–85.0%) and found at the highest levels in different exposure categories, followed by BBP, DnBP, and DnOP. Strong correlations were observed between DEHP with DnBP (rs: 0.81–0.90; p < 0.01), BBP (rs: 0.81–0.90; p < 0.01), and DnOP (rs: 0.87–0.93; p < 0.01) in each exposure category. However, no apparent intercorrelations were shown for PAE congeners. Higher indoor concentrations and a stronger correlation between DMP and DEP were found compared with outdoor concentrations. Principal component analysis affirmed heterogeneous distribution and notable variations in PAE sources across different exposure categories. The average daily intakes of ∑6PAEs and DEHP via inhalation were 0.14–0.17 and 0.12–0.16 μg/kg-day for adults in Hong Kong. A time-weighted model was used to estimate PAE exposures incorporating residential indoor and outdoor exposure and time activities. The inhalation cancer risks attributable to measured and estimated personal exposure to DEHP exceeded the U.S. EPA’s benchmark (1 × 10−6). The results provide critical information for mitigation strategies, suggesting that PAEs from both ambient and indoor sources should be considered when exploring the inhalation health risks of PAEs exposure.

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Contamination levels and ecological risk assessment of phthalate esters (PAEs) in the aquatic environment of Chaohu Lake

Mei,

Yang,

Peng

et al. 2024

Environ Sci Pollut Res

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PM2.5-bound phthalates and phthalate substitutes in a megacity of southern China: spatioseasonal variations, source apportionment, and risk assessment

Cited by 13 publications

References 56 publications

The values of Δ_fH^o_298.15 and S^o_298.15 of the radicals formed by the abstraction of H atom from the p‐Benzylphenol and Dimethyl Phthalate

The values of Δ_fH^o_298.15 and S^o_298.15 of the radicals formed by the abstraction of H atom from the p‐Benzylphenol and Dimethyl Phthalate

Occurrence and Risk Assessment of Personal PM2.5-Bound Phthalates Exposure for Adults in Hong Kong

Contamination levels and ecological risk assessment of phthalate esters (PAEs) in the aquatic environment of Chaohu Lake

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PM2.5-bound phthalates and phthalate substitutes in a megacity of southern China: spatioseasonal variations, source apportionment, and risk assessment

Cited by 13 publications

References 56 publications

The values of ΔfHo298.15 and So298.15 of the radicals formed by the abstraction of H atom from the p‐Benzylphenol and Dimethyl Phthalate

The values of ΔfHo298.15 and So298.15 of the radicals formed by the abstraction of H atom from the p‐Benzylphenol and Dimethyl Phthalate

Occurrence and Risk Assessment of Personal PM2.5-Bound Phthalates Exposure for Adults in Hong Kong

Contamination levels and ecological risk assessment of phthalate esters (PAEs) in the aquatic environment of Chaohu Lake

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The values of Δ_fH^o_298.15 and S^o_298.15 of the radicals formed by the abstraction of H atom from the p‐Benzylphenol and Dimethyl Phthalate

The values of Δ_fH^o_298.15 and S^o_298.15 of the radicals formed by the abstraction of H atom from the p‐Benzylphenol and Dimethyl Phthalate