Supplementary Material (ESI) for Journal of Environmental Monitoring
This journal is © The Royal Society of Chemistry 2010
Table 1supp: List of compounds analysed and their abbreviations, also used in the text and figures.
Compound name Abbreviation
Organochlorines
2,4,4’-Trichlorobiphenyl CB-28
2,4’,5-Trichlorobiphenyl CB-31
2,2’,5,5’-Tetrachlorobiphenyl CB-52
2,2’,4,4’,5-Pentachlorobiphenyl CB-99
2,2’,4,5,5’-Pentachlorobiphenyl CB-101
2,3,3’,4,4’-Pentachlorobiphenyl CB-105
2,3,3’,4’,6-Pentachlorobiphenyl CB-110
2,3’,4,4’,5-Pentachlorobiphenyl CB-118
2,2’,3,3’,4,4’-Hexachlorobiphenyl CB-128
2,2’,3,4,4’,5’-Hexachlorobiphenyl CB-138
2,2’,3,4’,5’,6-Hexachlorobiphenyl CB-149
2,2’,3,5,5’,6-Hexachlorobiphenyl CB-151
2,2’,4,4’,5,5-Hexachlorobiphenyl CB-153
2,3,3’,4,4’,5-Hexachlorobiphenyl CB-156
2,2’,3,3’4,4’,5-Heptachlorobiphenyl CB-170
2,2’,3,4,4’,5,5’-Heptachlorobiphenyl CB-180
2,2’,3,4’,5,5’,6-Heptachlorobiphenyl CB-187
2,2’,3,4’,5,6,6’-Heptachlorobiphenyl CB-188
2,2’,3,3’,4,4’,5,5’-Octachlorobiphenyl CB-194
Decachlorobiphenyl CB-209
α-Hexachlorocyclohexane α-HCH Supplementary Material (ESI) for Journal of Environmental Monitoring
This journal is © The Royal Society of Chemistry 2010
β-Hexachlorocyclohexane β-HCH
γ-Hexachlorocyclohexane γ-HCH
Hexachlorobenzene HCB
Trans-nonachlor TNC p,p’-dichloro-diphenyl-trichloroethane p,p’-DDT p,p’-dichloro-diphenyl-dichloroethylene p,p’-DDE p,p’-dichloro-diphenyl-dichloroethane p,p’-DDD o,p’-dichloro-diphenyl-trichloroethane o,p’-DDT o,p’-dichloro-diphenyl-dichloroethylene o,p’-DDE
PAHs
Naphthalene N
1-Methylnaphthalene 1-MN
2-Methylnaphthalene 2-MN
C2-Naphthalenes C2N
C3-Naphthalenes C3N
Acenaphthylene Acy
Acenaphthene Ace
Fluorene F
Dibenzothiophene DBT
C1-Dibenzothiophenes C1DBT
C2-Dibenzothiophenes C2DBT
Phenanthrene P
2-Methylphenanthrene 2MP
C1-Phenanthrenes C1P
C2-Phenanthrenes C2P
C3-Phenanthrenes C3P Supplementary Material (ESI) for Journal of Environmental Monitoring
This journal is © The Royal Society of Chemistry 2010
Anthracene Ant
Benzo[a]fluorene BaF
Fluoranthene Fl
Pyrene Pyr
1-Methylpyrene 1MPyr
Benzo[a]anthracene BaAnt
Chrysene/Triphenylene Chr/Trp
Benzo[b+j+k]fluoranthene BbjkFl
Benzo[e]pyrene BePyr
Benzo[a]pyrene BaPyr
Perylene Per
Indeno[1,2,3-cd]pyrene Ipyr
Benzo[g,h,i]perylene BghiPer
Dibenzo[ah]anthracene DBahAnt
Supplementary Material (ESI) for Journal of Environmental Monitoring
This journal is © The Royal Society of Chemistry 2010
PCAHeaviness Loadings yoei s Ptoei for PAHs 4-ring vs. Petrogenic Pyrogenic 0.8
0.6 Pyr
0.4
C2P 0.2 BePyr BaF C3N 1MPyrC3P Acy 0 BaAnt 1MNPer Ipyr BaPyr 2MP 2MNDBTAnt C1DBT BghiPer BbjkFl N C2N -0.2 C2DBT Loadings PC#4 (0.959%) C1P P Chr/Trp -0.4 Fl
-0.6
-0.4 -0.2 0 0.2 0.4 0.6 0.8 1 Loadings PC#3 (8.890%)
Figure 1supp: Loading plot of PC3 vs. PC4 for the PCA model based on the mean-centred training set consisting of 40 samples and 27 PAH concentrations.
Supplementary Material (ESI) for Journal of Environmental Monitoring
This journal is © The Royal Society of Chemistry 2010
PC1 (5 x) 30 10 PC#4 25 PC#3 8 PC#2 20 PC#1 6 15 4 10 2 5 PC scores 0 0 -2 -5
-10 -4 PC2 (5 x)
-15 Bos1_MYT_C Bos3_MYT_H Grl6_MYT_H Syd3_SAC_C Bos2_MYT_C Syd3_MYT_C Far3_MYT_C Tas3_MYT_H Rar3_SAC_H Tas2_MYT_C Syd2_MYT_C CaT2_MYT_C USV2_ISO_H NZ3_MYT_C CaT3_MYT_C Chi1_MYT_R CaT1_MYT_R Gha1_MYT_R Per7_MYT_H Grl7_MYT_C Chi2_MYT_R Rar1_GEL_R DK9_MYT_H Syd1_SAC_R OW2_CHL_R USV1_MYT_R USV1_ISO_R NZ2_MYT_C OW1_CHL_R USV3_ISO_C NZ1_MYT_R Tas1_MYT_R Rar2_GEL_R Tas2_SAC_C Grl2_MYT_R Per2_MYT_R Far1_CHL_R Grl2_MYT_C Grl1_CHL_R Grl3_MYT_R -6
Sample identity
Supplementary Material (ESI) for Journal of Environmental Monitoring
This journal is © The Royal Society of Chemistry 2010
Figure 2supp: Score plots of PC1 (line with markers) and PC2 to PC4 (cumulative bar plot) for the PCA model based on the mean-centred training set consisting of 40 samples and 27 PAH concentrations. The PC1 scores for the six samples with large ∑PAH27 have been scaled down with a factor of five, while the PC2 scores for Grl6_MYT_H have been scaled up with 5.