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List of Compounds Analysed and Their Abbreviations, Also Used in the Text and Figures

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List of Compounds Analysed and Their Abbreviations, Also Used in the Text and Figures 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 Pyrogenic Petrogenic vs. 4-ring PAHs for 0.8 0.6 Pyr 0.4 C2P 0.2 BePyr BaF C3N 1MPyrC3P Acy 0 BaAnt 1MNPer Ipyr BaPyr 2MP2MNDBTAnt 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. 10 8 6 4 2 0 -2 -4 -6 Grl3_MYT_R Grl1_CHL_R Grl2_MYT_C PC#4 PC#3 PC#2 PC#1 Far1_CHL_R Per2_MYT_R Grl2_MYT_R Tas2_SAC_C Rar2_GEL_R Tas1_MYT_R NZ1_MYT_R USV3_ISO_C OW1_CHL_R NZ2_MYT_C USV1_ISO_R USV1_MYT_R OW2_CHL_R Syd1_SAC_R DK9_MYT_H Rar1_GEL_R Chi2_MYT_R Grl7_MYT_C Per7_MYT_H Gha1_MYT_R Sample identitySample CaT1_MYT_R Chi1_MYT_R CaT3_MYT_C NZ3_MYT_C USV2_ISO_H CaT2_MYT_C Syd2_MYT_C Tas2_MYT_C Rar3_SAC_H urnal of Environmental Monitoring of Environmental urnal Tas3_MYT_H Far3_MYT_C Syd3_MYT_C Bos2_MYT_C Syd3_SAC_C PC1 (5 x) PC1 (5 x) Grl6_MYT_H Bos3_MYT_H PC2 (5 x) PC2 (5 x) Bos1_MYT_C 5 0 -5 30 25 20 15 10 -10 -15 PC scores PC Supplementary Material (ESI) for Jo for (ESI) Material Supplementary This journal is © The Royal Society of Chemistry 2010 2010 Chemistry of Society Royal The © is This journal 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. .
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