Search results for "Polycyclic aromatic-hydrocarbon"
showing 8 items of 8 documents
The molecular identification of organic compounds in the atmosphere: state of the art and challenges.
2015
SSCI-VIDE+ATARI:CARE+BNO:BDA; International audience
Urban organic aerosol composition in eastern China differs from north to south:Molecular insight from a liquid chromatography-mass spectrometry (Orbi…
2021
Air pollution by particulate matter in China affects human health, the ecosystem and the climate. However, the chemical composition of particulate aerosol, especially of the organic fraction, is still not well understood. In this study, particulate aerosol samples with a diameter of ≤2.5 µm (PM2.5) were collected in January 2014 in three cities located in northeast, east and southeast China, namely Changchun, Shanghai and Guangzhou. Organic aerosol (OA) in the PM2.5 samples was analyzed by an ultrahigh-performance liquid chromatograph (UHPLC) coupled to a high-resolution Orbitrap mass spectrometer in both negative mode (ESI-) and positive mode electrospray ionization (ESI+). After non-targe…
Air Pollution During Pregnancy and Childhood Cognitive and Psychomotor Development: Six European Birth Cohorts
2014
Background: Accumulating evidence from laboratory animal and human studies suggests that air pollution exposure during pregnancy affects cognitive and psychomotor development in childhood. Methods: We analyzed data from 6 European population-based birth cohorts-GENERATI ON R (The Netherlands), DUISBURG (Germany), EDEN (France), GASPII (Italy), RHEA (Greece), and INMA (Spain)-that recruited mother-infant pairs from 1997 to 2008. Air pollution levels-nitrogen oxides (NO2, NOx) in all regions and particulate matter (PM) with diameters of <2.5, <10, and 2.5-10 mu m (PM2.5, PM10, and PMcoarse, respectively) and PM2.5 absorbance in a subgroup-at birth addresses were estimated by land-use regressi…
Occupational Exposure to Endocrine-Disrupting Chemicals and Birth Weight and Length of Gestation: A European Meta-Analysis
2016
BACKGROUND: Women of reproductive age can be exposed to endocrine-disrupting chemicals (EDCs) at work, and exposure to EDCs in pregnancy may affect fetal growth. OBJECTIVES: We assessed whether maternal occupational exposure to EDCs during pregnancy as classified by application of a job exposure matrix was associated with birth weight, term low birth weight (LBW), length of gestation, and preterm delivery. METHODS: Using individual participant data from 133,957 mother-child pairs in 13 European cohorts spanning births from 1994 through 2011, we linked maternal job titles with exposure to 10 EDC groups as assessed through a job exposure matrix. For each group, we combined the two levels of e…
Calculation of vibrationally resolved absorption and fluorescence spectra of the rylenes
2020
A generating function method was used to simulate the vibrationally resolved absorption and emission spectra of perylene, terrylene and quaterrylene. This method operates on the basis of adiabatic excitation energies and electronic ground and excited state vibrational frequencies. These parameters were calculated using density functional theory with the PBE0 functional for perylene and terrylene and with the BH-LYP functional for quaterrylene. The vertical excitation energies of the lower excited states were calculated using functionals with differing amounts of Hartree-Fock exchange. The optimal functional for each molecule was chosen by comparing these energies to literature excitation en…
Dibenzocycloheptatriene as end-group of Thiele and tetrabenzo-Chichibabin hydrocarbons
2020
The authors are grateful for the financial support from: MICIU/FEDER/AEI, Spain (PG2018-101181-B-I00, PGC2018-095808B-I00, MAT2016-80826-R, FIP-2018-HECTIC-PTM, Prometeo2019/076 and the "Severo Ochoa" Programme for Centres of Excellence in R & D; SEV-2015-0496), the European Research Council (ERC) (677023), DGR (Catalunya) (2017-SGR-918), and SNSF (Switzerland, TS., PZ00P2_174175). We thank the CSIRC-Alhambra and SciCore (Basel, Switzerland) for supercomputing facilities and the Servei de RMN, UAB, for instrument time.
Aqueous-phase reactive species formed by fine particulate matter from remote forests and polluted urban air
2021
In the aqueous phase, fine particulate matter can form reactive species (RS) that influence the aging, properties, and health effects of atmospheric aerosols. In this study, we explore the RS yields of aerosol samples from a remote forest (Hyytiälä, Finland) and polluted urban locations (Mainz, Germany; Beijing, China), and we relate the RS yields to different chemical constituents and reaction mechanisms. Ultra-high-resolution mass spectrometry was used to characterize organic aerosol composition, electron paramagnetic resonance (EPR) spectroscopy with a spin-trapping technique was applied to determine the concentrations of ⚫OH, O2⚫-, and carbon- or oxygen-centered organic radicals, and a …
The formation, properties and impact of secondary organic aerosol: Current and emerging issues
2009
Hallquist, M. Wenger, J. C. Baltensperger, U. Rudich, Y. Simpson, D. Claeys, M. Dommen, J. Donahue, N. M. George, C. Goldstein, A. H. Hamilton, J. F. Herrmann, H. Hoffmann, T. Iinuma, Y. Jang, M. Jenkin, M. E. Jimenez, J. L. Kiendler-Scharr, A. Maenhaut, W. McFiggans, G. Mentel, Th. F. Monod, A. Prevot, A. S. H. Seinfeld, J. H. Surratt, J. D. Szmigielski, R. Wildt, J.; Secondary organic aerosol (SOA) accounts for a significant fraction of ambient tropospheric aerosol and a detailed knowledge of the formation, properties and transformation of SOA is therefore required to evaluate its impact on atmospheric processes, climate and human health. The chemical and physical processes associated wit…