OtherThis article was published in 'Atmospheric chemistry and physics'. The published version is available at http://www.atmos-chem-phys.net/14/2155/2014

Aalto, J

Fuller, SJ

Giorio, Chiara

Healy, RM

Jones, Roderic

Kalberer, Markus

Kourtchev, Ivan

Kulmala, M

Maenhaut, W

McLeod, M

O'Connor, I

Ruuskanen, TM

Sodeau, JR

Venables, DS

Wenger, JC

Wilson, E

Atmospheric Chemistry and Physics

Apollo (Cambridge)

English

Molecular composition of biogenic secondary organic aerosols using ultrahigh resolution mass spectrometry: comparing laboratory and field studies

Abstract. Numerous laboratory experiments have been performed in an attempt to mimic atmospheric secondary organic aerosol (SOA) formation. However, it is still unclear how close the aerosol particles generated in laboratory experiments resemble atmospheric SOA with respect to their detailed chemical composition. In this study, we generated SOA in a simulation chamber from the ozonolysis of α-pinene and a biogenic volatile organic compound (BVOC) mixture containing α- and β-pinene, Δ3-carene, and isoprene. The detailed molecular composition of laboratory-generated SOA was compared with that of background ambient aerosol collected at a boreal forest site (Hyytiälä, Finland) and an urban location (Cork, Ireland) using direct infusion nanoelectrospray ultrahigh-resolution mass spectrometry. Kendrick mass defect and van Krevelen approaches were used to identify and compare compound classes and distributions of the detected species. The laboratory-generated SOA contained a distinguishable group of dimers that was not observed in the ambient samples. The presence of dimers was found to be less pronounced in the SOA from the BVOC mixtures when compared to the one component precursor system. The molecular composition of SOA from both the BVOC mixture and α-pinene represented the overall composition of the ambient sample from the boreal forest site reasonably well, with 72.3 ± 2.5% (n = 3) and 69.1 ± 3.0% (n = 3) common ions, respectively. In contrast, large differences were found between the laboratory-generated BVOC samples and the ambient urban sample. To our knowledge this is the first direct comparison of molecular composition of laboratory-generated SOA from BVOC mixtures and ambient samples.
                    </jats:p

I. Kourtchev

S. J. Fuller

C. Giorio

R. M. Healy

E. Wilson

I. O'Connor

J. C. Wenger

M. McLeod

J. Aalto

T. M. Ruuskanen

W. Maenhaut

R. Jones

D. S. Venables

J. R. Sodeau

M. Kulmala

M. Kalberer

Crossref

Molecular composition of biogenic secondary organic aerosols using ultrahigh-resolution mass spectrometry: comparing laboratory and field studies

Numerous laboratory experiments have been performed in an attempt to mimic atmospheric secondary organic aerosol (SOA) formation. However, it is still unclear how close the aerosol particles generated in laboratory experiments resemble atmospheric SOA with respect to their detailed chemical composition. In this study, we generated SOA in a simulation chamber from the ozonolysis of alpha-pinene and a biogenic volatile organic compound (BVOC) mixture containing alpha- and beta-pinene, Delta(3)-carene, and isoprene. The detailed molecular composition of laboratory-generated SOA was compared with that of background ambient aerosol collected at a boreal forest site (Hyytiala, Finland) and an urban location (Cork, Ireland) using direct infusion nanoelectrospray ultrahigh-resolution mass spectrometry. Kendrick mass defect and van Krevelen approaches were used to identify and compare compound classes and distributions of the detected species. The laboratory-generated SOA contained a distinguishable group of dimers that was not observed in the ambient samples. The presence of dimers was found to be less pronounced in the SOA from the BVOC mixtures when compared to the one component precursor system. The molecular composition of SOA from both the BVOC mixture and alpha-pinene represented the overall composition of the ambient sample from the boreal forest site reasonably well, with 72.3 +/- 2.5% (n = 3) and 69.1 +/- 3.0% (n = 3) common ions, respectively. In contrast, large differences were found between the laboratory-generated BVOC samples and the ambient urban sample. To our knowledge this is the first direct comparison of molecular composition of laboratory-generated SOA from BVOC mixtures and ambient samples

Kourtchev, I

Giorio, C

Maenhaut, Willy

Jones, R

Kalberer, M

Ghent University Academic Bibliography

Supporting information  Molecular composition of biogenic secondary aerosols using ultrahigh resolution mass spectrometry: comparing laboratory and field studies  Ivan Kourtchev1*, Stephen Fuller1, Chiara Giorio1, Robert M. Healy2, Eoin Wilson2, Ian O’Connor2, John Wenger2, Matthew McLeod1, Juho Aalto3,4,5, Taina M. Ruuskanen5, Willy Maenhaut6,7, Rod Jones1, Dean S. Venables2, John Sodeau2, Markku Kulmala5, Markus Kalberer1*  1Department of Chemistry, University of Cambridge, Cambridge, CB2 1EW, UK 2Department of Chemistry and Environmental Research Institute, University College Cork, Cork, Ireland 3Department of Forest Sciences, University of Helsinki, P.O.Box 27, Helsinki, Finland 4Hyytiälä Forestry Field Station, Hyytiäläntie 124, Korkeakoski, FI 35500, Finland 5Department of Physics, University of Helsinki, P.O. Box 64, Helsinki, Finland  6Department of Analytical Chemistry, Ghent University, Krijgslaan 281, S12, BE-9000 Ghent, Belgium 7Department of Pharmaceutical Sciences, University of Antwerp, Universiteitsplein 1, BE-2610 Antwerp, Belgium   2 pages 1 figure (Figure S1)  Figure S1. Direct infusion negative-nanoESI-Orbitrap mass spectra obtained for laboratory generated sample from ozionolysis of α-pinene: (a) control sample (b) extract mixed with 30% aqueous solution of ammonium sulphate. Abbreviation: NL normalization level.     

Molecular composition of biogenic secondary organic aerosols using ultrahigh-resolution mass spectrometry : comparing laboratory and field studies

Abstract. Numerous laboratory experiments have been performed in an attempt to mimic atmospheric secondary organic aerosol (SOA) formation. However, it is still unclear how close the aerosol particles generated in laboratory experiments resemble atmospheric SOA with respect to their detailed chemical composition. In this study, we generated SOA in a simulation chamber from the ozonolysis of α-pinene and a biogenic volatile organic compound (BVOC) mixture containing α- and β-pinene, Δ3-carene, and isoprene. The detailed molecular composition of laboratory-generated SOA was compared with that of background ambient aerosol collected at a boreal forest site (Hyytiälä, Finland) and an urban location (Cork, Ireland) using direct infusion nanoelectrospray ultrahigh resolution mass spectrometry. Kendrick Mass Defect and Van Krevelen approaches were used to identify and compare compound classes and distributions of the detected species. The laboratory-generated SOA contained a distinguishable group of dimers that was not observed in the ambient samples. The presence of dimers was found to be less pronounced in the SOA from the VOC mixtures when compared to the one component precursor system. The elemental composition of the compounds identified in the monomeric region from the ozonolysis of both α-pinene and VOC mixtures represented the ambient organic composition of particles collected at the boreal forest site reasonably well, with about 70% of common molecular formulae. In contrast, large differences were found between the laboratory-generated BVOC samples and the ambient urban sample. To our knowledge this is the first direct comparison of molecular composition of laboratory-generated SOA from BVOC mixtures and ambient samples.
                        </jats:p

I. P. O'Connor

Abstract. Numerous laboratory experiments have been performed in an attempt to mimic atmospheric secondary organic aerosol (SOA) formation. However, it is still unclear how close the aerosol particles generated in laboratory experiments resemble atmospheric SOA with respect to their detailed chemical composition. In this study, we generated SOA in a simulation chamber from the ozonolysis of α-pinene and a biogenic volatile organic compound (BVOC) mixture containing α- and β-pinene, Δ3-carene, and isoprene. The detailed molecular composition of laboratory-generated SOA was compared with that of background ambient aerosol collected at a boreal forest site (Hyytiälä, Finland) and an urban location (Cork, Ireland) using direct infusion nanoelectrospray ultrahigh-resolution mass spectrometry. Kendrick mass defect and van Krevelen approaches were used to identify and compare compound classes and distributions of the detected species. The laboratory-generated SOA contained a distinguishable group of dimers that was not observed in the ambient samples. The presence of dimers was found to be less pronounced in the SOA from the BVOC mixtures when compared to the one component precursor system. The molecular composition of SOA from both the BVOC mixture and α-pinene represented the overall composition of the ambient sample from the boreal forest site reasonably well, with 72.3 ± 2.5% (n = 3) and 69.1 ± 3.0% (n = 3) common ions, respectively. In contrast, large differences were found between the laboratory-generated BVOC samples and the ambient urban sample. To our knowledge this is the first direct comparison of molecular composition of laboratory-generated SOA from BVOC mixtures and ambient samples

Numerous laboratory experiments have been performed in an attempt to mimic atmospheric secondary organic aerosol (SOA) formation. However, it is still unclear how close the aerosol particles generated in laboratory experiments resemble atmospheric SOA with respect to their detailed chemical composition. In this study, we generated SOA in a simulation chamber from the ozonolysis of α-pinene and a biogenic volatile organic compound (BVOC) mixture containing α- and β-pinene, Δ3-carene, and isoprene. The detailed molecular composition of laboratory-generated SOA was compared with that of background ambient aerosol collected at a boreal forest site (Hyytiälä, Finland) and an urban location (Cork, Ireland) using direct infusion nanoelectrospray ultrahigh resolution mass spectrometry. Kendrick Mass Defect and Van Krevelen approaches were used to identify and compare compound classes and distributions of the detected species. The laboratory-generated SOA contained a distinguishable group of dimers that was not observed in the ambient samples. The presence of dimers was found to be less pronounced in the SOA from the VOC mixtures when compared to the one component precursor system. The elemental composition of the compounds identified in the monomeric region from the ozonolysis of both α-pinene and VOC mixtures represented the ambient organic composition of particles collected at the boreal forest site reasonably well, with about 70% of common molecular formulae. In contrast, large differences were found between the laboratory-generated BVOC samples and the ambient urban sample. To our knowledge this is the first direct comparison of molecular composition of laboratory-generated SOA from BVOC mixtures and ambient samples

Fuller, S. J.

Healy, Robert M.

Wilson, Eoin

O'Connor, Ian P.

Wenger, John C.

McLeod, M.

Aalto, Juho

Ruuskanen, T. M.

Jones, R. L.

Venables, Dean S.

Sodeau, John R.

Cork Open Research Archive

Atmospheric Chemistry and Physics Discussions

Numerous laboratory experiments have been performed in an attempt to mimic
atmospheric secondary organic aerosol (SOA) formation. However, it is still
unclear how close the aerosol particles generated in laboratory experiments
resemble atmospheric SOA with respect to their detailed chemical
composition. In this study, we generated SOA in a simulation chamber from
the ozonolysis of α-pinene and a biogenic volatile organic compound
(BVOC) mixture containing α- and β-pinene, &Delta;3-carene, and isoprene. The detailed molecular composition of
laboratory-generated SOA was compared with that of background ambient
aerosol collected at a boreal forest site (Hyytiälä, Finland) and an
urban location (Cork, Ireland) using direct infusion nanoelectrospray
ultrahigh-resolution mass spectrometry. Kendrick mass defect and van
Krevelen approaches were used to identify and compare compound classes and
distributions of the detected species. The laboratory-generated SOA
contained a distinguishable group of dimers that was not observed in the
ambient samples. The presence of dimers was found to be less pronounced in
the SOA from the BVOC mixtures when compared to the one component precursor
system. The molecular composition of SOA from both the BVOC mixture and
α-pinene represented the overall composition of the ambient sample
from the boreal forest site reasonably well, with 72.3 ± 2.5%
(n = 3) and 69.1 ± 3.0% (n = 3) common ions, respectively. In
contrast, large differences were found between the laboratory-generated BVOC
samples and the ambient urban sample. To our knowledge this is the first
direct comparison of molecular composition of laboratory-generated SOA from
BVOC mixtures and ambient samples

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Molecular composition of biogenic secondary organic aerosols using ultrahigh resolution mass spectrometry: comparing laboratory and field studies

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