Polycyclic Aromatic Hydrocarbons (PAHs) and their Derivatives (O-PAHs, N-PAHs, OH-PAHs): Determination in Suspended Particulate Matter (SPM) – a Review
Abstract:The aim of this paper is the presentation of the current state-of-the-art about the determination of polycyclic aromatic hydrocarbons (PAHs) and their oxidized forms originating from Suspended Particulate Matter (SPM) samples. The influence of SPM on health is twofold. SPM, as composed of small particles, is dangerous for the respiratory system. Additionally, SPM is a carrier of many hazardous compounds, particularly PAHs. Recently, several researches focus on the derivatives of PAHs, particularly nitro-, oxy-… Show more
“…A for all systems in the particle phase, f 0 A , one of three forms of the condensed Fukui function as shown in Eqs. (5)(6)(7), is chosen to predict the active sites for the OH-radical addition reaction in the gas phase. The reaction active sites of eight PAHs predicted with f 0 A are marked with red circles and are shown in Figure 3.…”
Section: Because Of the Excellent Performance Of F àmentioning
confidence: 99%
“…The analysis of TPPs present in complex environmental matrices and mixtures is laborious, time-consuming and challenging because of their low concentrations in the atmosphere. [6] PAHs initially exist in gaseous form, some of which coalesce into the particle phase or are adsorbed onto the particle phase. At ambient temperature, two-and three-ring PAHs primarily exist in the gas phase; four-and five-ring PAHs occur in both the gas and particle phases; and PAHs containing six or more rings principally adsorb onto particles.…”
Polycyclic aromatic hydrocarbons (PAHs) are widely present in the environment as toxic pollutants. In this study, quantum chemistry methods are used to study reactions of PAHs in both particle and gas phases. Seven theoretical methods are exploited to predict the reactive sites of 15 PAHs in the particle phase. Among these methods, the performance of the condensed Fukui function (CFF) is optimum. The gas-phase reactions of eight PAHs are also investigated. Except for fluorene, CFF predicts correctly the gas-phase mono-nitro products for seven systems. The products of fluorene predicted by CFF are 1-nitrofluorene and 3-nitrofluorene, which is however inconsistent with the experimental results. Transition state theory is then used to investigate the reaction mechanism of fluorene. Calculated rate constants for 3-nitrofluorene and 2nitrofluorene formation are much bigger than that for 1nitrofluorene formation, which is in agreement with the experimental results.
“…A for all systems in the particle phase, f 0 A , one of three forms of the condensed Fukui function as shown in Eqs. (5)(6)(7), is chosen to predict the active sites for the OH-radical addition reaction in the gas phase. The reaction active sites of eight PAHs predicted with f 0 A are marked with red circles and are shown in Figure 3.…”
Section: Because Of the Excellent Performance Of F àmentioning
confidence: 99%
“…The analysis of TPPs present in complex environmental matrices and mixtures is laborious, time-consuming and challenging because of their low concentrations in the atmosphere. [6] PAHs initially exist in gaseous form, some of which coalesce into the particle phase or are adsorbed onto the particle phase. At ambient temperature, two-and three-ring PAHs primarily exist in the gas phase; four-and five-ring PAHs occur in both the gas and particle phases; and PAHs containing six or more rings principally adsorb onto particles.…”
Polycyclic aromatic hydrocarbons (PAHs) are widely present in the environment as toxic pollutants. In this study, quantum chemistry methods are used to study reactions of PAHs in both particle and gas phases. Seven theoretical methods are exploited to predict the reactive sites of 15 PAHs in the particle phase. Among these methods, the performance of the condensed Fukui function (CFF) is optimum. The gas-phase reactions of eight PAHs are also investigated. Except for fluorene, CFF predicts correctly the gas-phase mono-nitro products for seven systems. The products of fluorene predicted by CFF are 1-nitrofluorene and 3-nitrofluorene, which is however inconsistent with the experimental results. Transition state theory is then used to investigate the reaction mechanism of fluorene. Calculated rate constants for 3-nitrofluorene and 2nitrofluorene formation are much bigger than that for 1nitrofluorene formation, which is in agreement with the experimental results.
“…Several analytical methods have been employed for the determination of PAH derivatives [ 20 ]. In the case of NPAH measurements, gas chromatography (GC) combined with various detection methods such as electron capture detection [ 21 , 22 ], nitrogen selective detection [ 23 , 24 ], reductive electro-chemical detection [ 25 , 26 ], and negative and positive chemical ionization (NCI and PCI) mass spectrometry (MS) have been reported [ 27 , 28 , 29 , 30 ].…”
The concentration of polycyclic aromatic hydrocarbons (PAHs) in the atmosphere has been continually monitored since their toxicity became known, whereas nitro-PAHs (NPAHs) and oxy-PAHs (OPAHs), which are derivatives of PAHs by primary emissions or secondary formations in the atmosphere, have gained attention more recently. In this study, a method for the quantification of 18 NPAH and OPAH congeners in the atmosphere based on combined applications of gas chromatography coupled with chemical ionization mass spectrometry is presented. A high sensitivity and selectivity for the quantification of individual NPAH and OPAH congeners without sample preparations from the extract of aerosol samples were achieved using negative chemical ionization (NCI/MS) or positive chemical ionization tandem mass spectrometry (PCI-MS/MS). This analytical method was validated and applied to the aerosol samples collected from three regions in Northeast Asia—namely, Noto, Seoul, and Ulaanbaatar—from 15 December 2020 to 17 January 2021. The ranges of the method detection limits (MDLs) of the NPAHs and OPAHs for the analytical method were from 0.272 to 3.494 pg/m3 and 0.977 to 13.345 pg/m3, respectively. Among the three regions, Ulaanbaatar had the highest total mean concentration of NPAHs and OPAHs at 313.803 ± 176.349 ng/m3. The contribution of individual NPAHs and OPAHs in the total concentration differed according to the regional emission characteristics. As a result of the aerosol samples when the developed method was applied, the concentrations of NPAHs and OPAHs were quantified in the ranges of 0.016~3.659 ng/m3 and 0.002~201.704 ng/m3, respectively. It was concluded that the method could be utilized for the quantification of NPAHs and OPAHs over a wide concentration range.
“…The sensitivity of quadrupole GC–MS and high-performance liquid chromatography (HPLC) techniques is suitable for high exposure PAH concentrations, but large sample volumes and sampling times are necessary to be able to detect the ambient air levels between few pg/m 3 and several ng/m 3 . This often results in limits of quantification that are too high to be suitable for personal exposure monitoring of PAHs, especially the particle bounded high molecular compounds (Cherry et al, 2021 ; Maitre et al, 2018 ; Navarro et al, 2017 ; Nowakowski et al, 2022 ).…”
A method based on the use of GC coupled to Q-exactive Orbitrap mass spectrometry (GC-Orbitrap-MS) has been developed for the analysis of polycyclic aromatic hydrocarbons (PAHs) at sub-picogram levels. Outdoor ambient air particulate matter (PM2.5) and standard reference materials (SRM2260a) were analyzed in full scan mode showing low instrumental uncertainties (1–22%) and high linearity over a wide concentration range (0.5 pg and 500 pg/μL). Good reproducibility was obtained compared to the use of conventional single quadrupole GC–MS of PM samples. The quantification limit of the GC-Orbitrap-MS method for full scan analysis of PAHs in outdoor ambient air PM samples was 0.5 pg/μL. This low limit allowed the analysis of PAHs in samples collected with low volumes (< 0.5 m3), such as punch samples from whole filters or filter strips from personal exposure monitoring equipment. PAHs were successfully analyzed in filter strips from real-time Aethalometer AE51 equivalent black carbon (eBC) analyzers used in urban and rural sites, and in personal exposure monitors of firefighters during prescribed burns. The correlations between PAHs and eBC in these analyses were very strong (r2 ≥ 0.93). However, the equations obtained reflected the dominance of different emission sources, such as traffic in urban areas, wood burning for domestic heating, or wildfires. The method reported here affords the analyses of PAHs in high precision studies of atmospheric PM samples, e.g., high frequency sampling of low volumes, affording personal exposure monitoring assessments.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.