Supplement

Supplemental information for:
“Positive matrix factorization of PM2.5 – Eliminating the effects of
gas/particle partitioning of semivolatile organic compounds”
M. Xie1, K. C. Barsanti2, M. P. Hannigan1, S. J. Dutton3, S. Vedal4
1
Department of Mechanical Engineering, College of Engineering and Applied Science,
University of Colorado, Boulder, CO 80309, USA
2
Department of Civil and Environmental Engineering, Portland State University, PO Box 751,
Portland, OR 97207, USA
3
National Center for Environmental Assessment, U.S. Environmental Protection Agency,
Research Triangle Park, NC 27711, USA
4
Department of Environmental and Occupational Health Sciences, School of Public Health,
University of Washington, Seattle, WA 98195, USA
Correspondence to: M. Xie ([email protected]) and M.P. Hannigan
([email protected])
Mailing Address:
Department of Mechanical Engineering, Engineering Center, 427 UCB
Boulder, CO 80309-0427
1
Table S1.
Statistics for the total (gas + particle phase) concentration of each SVOC
estimated from January 27, 2003 – October 2, 2005 (Full data set).
Abbreviation
Mean
Median
8.05
1.00
1.18
0.56
0.51
1.28
0.65
0.43
0.03
0.38
7.03
0.22
0.97
0.43
0.43
1.20
0.59
0.41
0.01
0.28
Organic molecular makers (ng m-3)
Alkanes
docosane
C22
tricosane
C23
tetracosane
C24
pentacosane
C25
hexacosane
C26
heptacosane
C27
octacosane
C28
nonacosane
C29
triacontane
C30
hentriacontane
C31
dotriacontane*
C32
tritriacontane
C33
tetratriacontane
C34
pentatriacontane
C35
hexatriacontane
C36
heptatriacontane
C37
octatriacontane
C38
nonatriacontane*
C39
tetracontane*
C40
pentadecylcyclohexane
cycC21
nonadecylcyclohexane*
cycC25
32.8
23.7
5.50
3.73
1.14
1.27
0.79
1.72
0.64
1.78
0.51
0.62
0.45
0.38
0.20
0.16
0.13
0.12
0.09
8.07
0.26
15.1
7.40
2.27
2.02
0.94
1.09
0.54
1.40
0.39
1.30
0.23
0.47
0.31
0.27
0.12
0.08
0.05
0.06
0.04
3.62
0.21
PAHs
fluoranthene
pyrene
benzo[ghi]fluoranthene
cyclopenta[cd]pyrene
benz[a]anthracene
chrysene/triphenylene*
benzo[b&k]fluoranthene
benzo[j]fluoranthene*
benz[a&e]pyrene
perylene*
indeno[1,2,3-cd]pyrene
benzo[ghi]perylene
dibenz[ah]anthracene*
picene*
coronene
methyl-202-PAH sum
retene*
methyl-228-PAH sum
11.2
1.48
0.19
0.06
0.12
0.48
0.27
0.01
0.20
0.02
0.07
0.18
0.02
0.02
0.11
8.70
1.98
0.19
7.33
1.08
0.15
0.03
0.08
0.38
0.16
0.01
0.09
0.01
0.04
0.11
0.01
0.01
0.06
6.67
1.17
0.13
Bulk species (μg m-3)g
Mass*
Nitrate
Sulfate
Ammonium*
EC
OC1*
OC2
OC3
OC4*
PC
a
Nitr
Sulf
Ammo
Flu
Pyr
BghiF
C-pyr
BaA
CT
BbkF
BjF
BaeP
Per
IP
BP
DahA
Pic
Cor
M-202
Ret
M-228
b
Mean fraction
(%)a
p°L (atm,
298K)d
ΔHvap (kJ mol-1,
298K)e
Kp,om (m3 μg-1)f
2.48
2.38
1.83
2.21
2.14
2.48
2.28
2.37
1.89
1.10
0.70
1.95
2.01
2.02
1.75
1.54
1.36
1.32
1.14
2.01
1.86
3.2E-08
1.2E-08
4.6E-09
1.7E-09
6.5E-10
2.5E-10
9.3E-11
3.5E-11
1.3E-11
4.9E-12
1.9E-12
7.0E-13
2.6E-13
9.9E-14
3.7E-14
1.4E-14
5.3E-15
2.0E-15
7.5E-16
8.2E-08
1.6E-09
115
120
124
129
133
137
142
146
151
155
160
164
169
173
177
182
186
191
195
107
124
8.73E-02
2.76E-01
8.72E-01
2.77E+00
8.83E+00
2.82E+01
9.05E+01
2.91E+02
9.39E+02
3.04E+03
9.86E+03
3.21E+04
1.05E+05
3.42E+05
1.12E+06
3.69E+06
1.22E+07
4.02E+07
1.33E+08
2.50E-02
2.47E+00
1.74
1.78
2.16
2.10
2.12
2.65
2.18
0.91
2.25
1.28
2.42
2.60
1.76
1.45
1.53
1.70
1.54
2.26
1.1E-07
2.4E-08
3.3E-09
2.5E-09
3.4E-09
3.4E-09
4.6E-10
4.6E-10
1.0E-10
1.0E-10
1.4E-11
3.2E-12
1.5E-11
1.5E-11
9.7E-14
4.0E-08
1.6E-08
1.3E-09
92.2
98.9
104
103
108
108
113
113
119
119
124
132
128
128
142
96.6
105
112
1.14E-02
6.40E-02
5.64E-01
6.94E-01
6.24E-01
6.24E-01
5.54E+00
5.54E+00
3.18E+01
3.18E+01
2.85E+02
1.65E+03
3.19E+02
3.19E+02
8.79E+04
3.54E-02
1.22E-01
1.96E+00
S/Nb
CVc
3.89
6.53
13.3
14.2
6.53
4.58
4.32
2.39
1.00
2.46
0.61
1.73
0.88
1.04
0.69
0.43
0.50
0.43
2.30
0.94
16.1
28.6
44.3
61.3
76.9
88.3
94.8
97.9
99.2
99.7
99.9
100
100
100
100
100
100
100
100
7.30
61.3
1.46
1.60
1.63
1.36
0.77
0.67
0.93
0.77
1.04
1.17
1.61
0.88
1.01
0.96
1.19
1.30
1.32
1.23
1.29
1.67
0.77
4.12
14.7
44.3
48.5
44.6
44.6
79.3
79.3
93.7
93.7
99.1
99.8
99.0
99.0
100
9.90
20.9
63.0
1.16
1.04
0.74
1.38
1.16
1.06
1.15
3.62
1.35
1.66
1.17
1.14
1.47
3.70
1.27
0.93
1.40
0.99
c
mean fraction of particle-phase SVOC; signal to noise ratio = mean concentration/mean uncertainty; coefficient of
d
e
variation = standard deviation/mean concentration; pure compound vapor pressure at 298.15 K; enthalpy of vaporization of
f
g
the liquid; average value; obtained from filter measurement, not including gas phase; * species not included for PMF
analysis.
2
Table S1. Continued
Abbreviation
Mean
Median
S/N
CV
p°L (atm)
@ 298K
ΔHvap (kJ mol-1)
@ 298K
Kp, om (m3 μg-1)
Oxy-PAHs
acenaphthenone*
fluorenone*
1H-phenalen-1-one*
xanthone*
1,8-naphthalic anhydride
anthracene-9,10-dione
benz[de]anthracene-7-one
Mean
fraction (%)
Ace-O
Flu-O
Phe-O
Xan
Nap-DO
Ant-DO
BaA-O
440
467
303
44.9
64.7
21.1
0.22
146
226
145
26.2
41.7
11.4
0.18
0.09
0.29
0.35
1.52
1.61
6.04
35.8
2.15
2.23
1.65
1.17
1.11
1.25
0.71
0.73
0.88
1.48
2.03
2.00
2.01
2.43
2.9E-06
1.1E-06
8.4E-07
2.3E-07
1.9E-07
4.7E-08
4.7E-09
71.4
75.8
74.7
81.8
76.9
79.9
96.2
2.17E-04
6.61E-04
8.19E-04
3.70E-03
3.92E-03
1.73E-02
3.02E-01
Steranes
20R-abb & 20S-aaa-cholestane
20R & S-abb-methylcholestane
20R & S-abb-ethylcholestane
a-22,29,30-trisnorhopane
ba-30-norhopane
ab-hopane
22S-ab-30-homohopane
22R-ab-30-homohopane
22S-ab-30-bishomohopane
22R-ab-30-bishomohopane
27-RS-C
28-RS-M
29-RS-E
TS
ba-N
ab-H
31abS
31abR
32abS
32abR
0.19
0.13
0.14
0.11
0.38
0.27
0.12
0.09
0.07
0.06
0.15
0.08
0.09
0.09
0.25
0.16
0.07
0.05
0.05
0.04
89.3
95.4
98.2
89.5
98.3
99.3
99.8
99.8
99.9
99.9
0.93
1.25
1.13
0.84
1.16
1.30
1.31
1.30
1.24
1.16
2.44
2.47
2.62
2.64
2.50
2.42
2.45
2.39
2.37
2.31
2.0E-10
7.5E-11
2.8E-11
1.9E-10
2.7E-11
1.0E-11
3.8E-12
3.8E-12
1.4E-12
1.4E-12
121
125
130
117
126
130
134
134
139
139
1.77E+01
5.59E+01
1.78E+02
1.58E+01
1.58E+02
5.03E+02
1.61E+03
1.61E+03
5.14E+03
5.14E+03
C12:0
C13:0
C14:0
C15:0
C16:0
C17:0
C18:0
C18:1
710
30.9
160
14.0
90.6
2.18
17.6
2.59
336
6.76
60.5
5.57
44.6
1.35
11.5
0.18
2.81
7.08
15.4
28.5
45.3
63.3
79.2
82.3
1.63
1.89
1.60
1.63
1.44
1.33
1.13
2.67
1.70
0.86
1.86
1.43
1.60
0.71
1.55
1.91
1.8E-07
6.6E-08
2.5E-08
9.3E-09
3.5E-09
1.3E-09
5.0E-10
3.9E-10
93.6
98.1
103
107
111
116
120
119
7.36E-03
2.29E-02
7.12E-02
2.23E-01
6.98E-01
2.20E+00
6.94E+00
8.51E+00
Cho
Sti
Van
Acv
Con
Syr
Ace
0.39
0.49
271
67.3
11.7
5.55
1.88
0.17
0.22
163
32.1
5.55
2.64
0.46
99.9
100
1.58
1.45
12.3
26.1
25.6
1.51
1.43
1.43
1.42
1.66
2.13
1.79
1.13
1.35
1.28
0.83
1.44
1.43
0.78
1.0E-12
1.1E-13
2.2E-07
2.0E-07
2.4E-08
8.0E-09
7.2E-09
136
144
80.7
74.7
88.4
92.0
86.0
6.52E+03
8.20E+04
3.84E-03
3.51E-03
4.50E-02
1.53E-01
1.38E-01
Alkanoic acids
dodecanoic acid
tridecanoic acid*
tetradecanoic acid*
pentadecanoic acid*
hexadecanoic acid
heptadecanoic acid*
octadecanoic acid
oleic acid*
Sterols and methoxyphenols
cholesterol*
stigmasterol*
vanillin*
acetovanillone*
coniferaldehyde*
syringaldehyde*
acetosyringone*
3
Table S2.
Statistics for the total (gas + particle phase) concentration of each SVOC
estimated for sampling days with ambient temperature lower than 10 °C (Cold
period).
Abbreviation
Bulk species (μg m-3)
Mass*
Nitrate
Sulfate
Ammonium*
EC
OC1*
OC2
OC3
OC4*
PC
Nitr
Sulf
Ammo
Mean
Median
9.57
2.23
1.30
0.88
0.61
1.29
0.56
0.40
0.04
0.42
7.64
1.41
0.79
0.56
0.48
1.13
0.48
0.35
0.01
0.30
Mean fraction
(%)
CV
S/N
0.70
1.04
1.13
1.02
0.75
0.55
0.54
0.53
2.27
1.03
4.13
12.2
13.5
21.0
7.20
4.64
4.61
2.51
1.00
2.60
Kp, om (m3 μg-1)
Organic molecular makers (ng m-3)
Alkanes
docosane
tricosane
tetracosane
pentacosane
hexacosane
heptacosane
octacosane
nonacosane
triacontane
hentriacontane
dotriacontane*
tritriacontane
tetratriacontane
pentatriacontane
hexatriacontane
heptatriacontane
octatriacontane
nonatriacontane
tetracontane*
pentadecylcyclohexane
nonadecylcyclohexane*
C22
C23
C24
C25
C26
C27
C28
C29
C30
C31
C32
C33
C34
C35
C36
C37
C38
C39
C40
cycC21
cycC25
6.31
3.11
1.56
1.59
1.22
1.37
1.17
1.41
0.98
1.43
0.49
0.73
0.58
0.55
0.32
0.27
0.22
0.20
0.15
1.93
0.22
4.89
2.54
1.43
1.39
1.07
1.19
1.00
1.21
0.89
1.23
0.32
0.55
0.43
0.42
0.22
0.18
0.15
0.14
0.10
1.30
0.18
35.5
57.8
77.7
90.4
96.4
98.7
99.6
99.9
100
100
100
100
100
100
100
100
100
100
100
16.7
89.9
2.75
2.45
1.53
2.35
2.50
2.60
2.72
2.62
2.25
2.13
1.09
2.04
2.12
2.22
2.01
1.85
1.68
1.60
1.40
1.92
1.98
0.82
0.69
0.54
0.60
0.66
0.69
0.73
0.70
0.78
0.76
1.14
0.90
0.91
0.85
0.96
0.99
0.99
0.96
1.00
1.06
0.71
2.12E-01
6.76E-01
2.16E+00
6.92E+00
2.22E+01
7.15E+01
2.31E+02
7.46E+02
2.42E+03
7.86E+03
2.56E+04
8.36E+04
2.73E+05
8.97E+05
2.95E+06
9.72E+06
3.21E+07
1.06E+08
3.52E+08
5.93E-02
6.11E+00
PAHs
fluoranthene
pyrene
benzo[ghi]fluoranthene
cyclopenta[cd]pyrene
benz[a]anthracene
chrysene/triphenylene*
benzo[b&k]fluoranthene
benzo[j]fluoranthene*
benz[a&e]pyrene
perylene*
indeno[1,2,3-cd]pyrene
benzo[ghi]perylene
dibenz[ah]anthracene*
picene*
coronene
methyl-202-PAH sum
retene*
methyl-228-PAH sum
Flu
Pyr
BghiF
C-pyr
BaA
CT
BbkF
BjF
BaeP
Per
IP
BP
DahA
Pic
Cor
M-202
Ret
M-228
4.15
0.81
0.22
0.09
0.15
0.42
0.42
0.02
0.36
0.03
0.13
0.32
0.04
0.03
0.18
5.85
2.44
0.26
3.08
0.70
0.19
0.06
0.11
0.33
0.31
0.01
0.24
0.02
0.11
0.25
0.03
0.02
0.13
4.89
1.74
0.18
9.18
31.1
73.7
77.2
74.9
74.9
95.6
95.6
99.1
99.1
99.9
100
99.9
99.9
100
21.5
43.1
89.0
1.69
1.84
2.38
2.61
2.58
2.86
2.42
1.44
2.47
1.62
2.58
2.85
2.25
2.05
1.50
1.80
1.81
2.49
0.84
0.72
0.67
1.03
0.89
0.74
0.78
3.53
0.93
1.19
0.76
0.80
0.92
0.95
0.91
0.71
1.22
0.91
2.58E-02
1.48E-01
1.33E+00
1.63E+00
1.48E+00
1.48E+00
1.34E+01
1.34E+01
7.79E+01
7.79E+01
7.05E+02
4.15E+03
7.97E+02
7.97E+02
2.24E+05
8.13E-02
2.87E-01
4.72E+00
* Species not included for PMF analysis.
4
Table S2. Continued
Abbreviation
Mean
Median
CV
S/N
Kp, om (m3 μg-1)
Oxy-PAHs
acenaphthenone*
fluorenone*
1H-phenalen-1-one*
xanthone*
1,8-naphthalic anhydride
anthracene-9,10-dione
benz[de]anthracene-7-one
Mean fraction
(%)
Ace-O
Flu-O
Phe-O
Xan
Nap-DO
Ant-DO
BaA-O
463
455
204
9.07
15.9
4.53
0.23
176
162
89.8
7.31
12.8
3.54
0.19
0.20
0.61
0.75
3.31
3.41
12.6
62.9
1.18
1.16
1.11
1.98
2.00
2.00
2.77
2.88
3.25
1.82
0.87
0.70
0.76
0.63
4.42E-04
1.38E-03
1.70E-03
7.98E-03
8.23E-03
3.68E-02
6.92E-01
Steranes
20R-abb & 20S-aaa-cholestane
20R & S-abb-methylcholestane
20R & S-abb-ethylcholestane
a-22,29,30-trisnorhopane
ba-30-norhopane
ab-hopane
22S-ab-30-homohopane
22R-ab-30-homohopane
22S-ab-30-bishomohopane
22R-ab-30-bishomohopane
27-RS-C
28-RS-M
29-RS-E
TS
ba-N
ab-H
31abS
31abR
32abS
32abR
0.24
0.20
0.22
0.13
0.59
0.43
0.19
0.14
0.11
0.09
0.15
0.11
0.14
0.09
0.37
0.27
0.12
0.09
0.07
0.05
98.4
99.5
99.8
98.3
99.8
99.9
100
100
100
100
2.62
2.42
2.92
2.96
2.68
2.63
2.66
2.65
2.64
2.60
1.07
1.18
1.02
0.97
1.07
1.12
1.11
1.12
1.12
1.05
4.34E+01
1.39E+02
4.45E+02
3.85E+01
3.93E+02
1.26E+03
4.05E+03
4.05E+03
1.30E+04
1.30E+04
C12:0
C13:0
C14:0
C15:0
C16:0
C17:0
C18:0
C18:1
108
4.06
19.0
2.33
34.0
1.18
15.5
5.39
63.8
1.42
11.5
1.66
25.1
0.74
10.5
0.60
6.35
15.8
32.8
55.4
76.2
89.7
96.1
96.8
1.97
0.77
1.50
1.38
1.96
1.04
1.74
2.33
1.32
1.90
1.14
0.89
0.93
1.00
0.96
1.87
1.67E-02
5.27E-02
1.67E-01
5.28E-01
1.68E+00
5.34E+00
1.70E+01
2.09E+01
Cho
Sti
Van
Acv
Con
Syr
Ace
0.60
0.77
328
76.0
15.9
7.95
1.98
0.28
0.49
224
55.7
10.1
5.05
1.19
100
100
3.41
3.04
25.3
49.0
47.1
1.46
2.27
1.51
1.04
1.79
1.75
1.80
1.37
1.13
1.13
0.95
1.21
1.28
1.20
1.65E+04
2.10E+05
8.23E-03
7.28E-03
9.98E-02
3.45E-01
3.03E-01
Alkanoic acids
dodecanoic acid
tridecanoic acid*
tetradecanoic acid*
pentadecanoic acid*
hexadecanoic acid
heptadecanoic acid*
octadecanoic acid
oleic acid*
Sterols and methoxyphenols
cholesterol*
stigmasterol*
vanillin*
acetovanillone*
coniferaldehyde*
syringaldehyde*
acetosyringone*
5
Table S3.
Statistics for the total (gas + particle phase) concentration of each SVOC
estimated for sampling days with ambient temperature between 10 °C and 20 °C
(Warm period).
Abbreviation
Bulk species (μg m-3)
Mass*
Nitrate
Sulfate
Ammonium*
EC
OC1*
OC2
OC3
OC4*
PC
Nitr
Sulf
Ammo
Mean
Median
6.54
0.37
1.01
0.32
0.43
1.08
0.57
0.39
0.03
0.28
6.18
0.17
0.90
0.23
0.36
1.05
0.54
0.38
0.01
0.22
Mean fraction
(%)
CV
S/N
0.44
1.58
0.67
0.96
0.62
0.33
0.46
0.38
2.23
0.78
3.26
2.56
12.4
14.0
6.35
4.67
4.76
2.64
1.00
2.57
Kp, om (m3 μg-1)
Organic molecular makers (ng m-3)
Alkanes
docosane
tricosane
tetracosane
pentacosane
hexacosane
heptacosane
octacosane
nonacosane
triacontane
hentriacontane
dotriacontane*
tritriacontane
tetratriacontane
pentatriacontane
hexatriacontane
heptatriacontane
octatriacontane
nonatriacontane
tetracontane*
pentadecylcyclohexane
nonadecylcyclohexane*
C22
C23
C24
C25
C26
C27
C28
C29
C30
C31
C32
C33
C34
C35
C36
C37
C38
C39
C40
cycC21
cycC25
23.2
12.2
2.56
1.86
0.81
0.98
0.61
1.49
0.49
1.50
0.39
0.51
0.37
0.28
0.14
0.11
0.09
0.09
0.06
7.11
0.18
18.0
8.53
2.15
1.63
0.61
0.84
0.36
1.19
0.27
1.09
0.21
0.41
0.28
0.23
0.09
0.05
0.04
0.05
0.04
4.84
0.16
6.42
15.9
33.7
57.1
77.8
90.3
96.2
98.6
99.5
99.8
99.9
100
100
100
100
100
100
100
100
2.36
57.0
2.40
2.33
1.41
2.07
1.94
2.25
1.94
2.22
1.59
1.19
0.65
1.84
1.84
1.76
1.48
1.27
1.12
1.12
0.96
1.99
1.83
0.84
0.91
0.80
0.66
0.86
0.70
0.99
0.75
1.07
0.88
1.66
0.84
0.98
0.86
1.09
1.22
1.19
1.16
1.16
1.00
0.65
1.97E-02
5.62E-02
1.60E-01
4.56E-01
1.30E+00
3.71E+00
1.06E+01
3.02E+01
8.61E+01
2.46E+02
7.02E+02
2.00E+03
5.73E+03
1.64E+04
4.68E+04
1.34E+05
3.82E+05
1.09E+06
3.13E+06
6.85E-03
4.50E-01
PAHs
fluoranthene
pyrene
benzo[ghi]fluoranthene
cyclopenta[cd]pyrene
benz[a]anthracene
chrysene/triphenylene*
benzo[b&k]fluoranthene
benzo[j]fluoranthene*
benz[a&e]pyrene
perylene*
indeno[1,2,3-cd]pyrene
benzo[ghi]perylene
dibenz[ah]anthracene*
picene*
coronene
methyl-202-PAH sum
retene*
methyl-228-PAH sum
Flu
Pyr
BghiF
C-pyr
BaA
CT
BbkF
BjF
BaeP
Per
IP
BP
DahA
Pic
Cor
M-202
Ret
M-228
10.8
1.32
0.16
0.04
0.09
0.39
0.20
0.01
0.13
0.01
0.05
0.12
0.01
0.01
0.07
8.83
1.80
0.15
8.22
1.05
0.13
0.03
0.05
0.33
0.14
0.01
0.08
0.00
0.04
0.09
0.01
0.01
0.05
6.78
0.91
0.11
1.46
6.70
34.8
39.9
34.9
34.9
79.1
79.1
94.6
94.6
99.3
99.8
99.3
99.3
100
4.02
10.6
58.8
1.73
1.76
2.12
1.89
2.05
2.50
2.03
0.60
2.05
1.06
2.24
2.30
1.35
1.13
1.59
1.70
1.54
2.14
0.95
0.79
0.70
1.20
1.17
0.67
1.01
1.26
1.26
1.48
0.84
0.84
1.28
1.26
0.95
0.82
1.52
0.95
4.18E-03
2.05E-02
1.64E-01
2.07E-01
1.66E-01
1.66E-01
1.33E+00
1.33E+00
6.52E+00
6.52E+00
5.22E+01
2.57E+02
5.29E+01
5.29E+01
1.01E+04
1.19E-02
3.43E-02
4.72E-01
* Species not included for PMF analysis.
6
Table S3. Continued
Abbreviation
Mean
Median
CV
S/N
Kp, om (m3 μg-1)
Oxy-PAHs
acenaphthenone*
fluorenone*
1H-phenalen-1-one*
xanthone*
1,8-naphthalic anhydride
anthracene-9,10-dione
benz[de]anthracene-7-one
Mean fraction
(%)
Ace-O
Flu-O
Phe-O
Xan
Nap-DO
Ant-DO
BaA-O
411
433
283
43.6
54.2
18.2
0.20
194
312
161
34.1
46.9
13.8
0.16
0.04
0.12
0.15
0.58
0.67
2.73
25.5
0.63
0.83
1.66
2.02
2.02
2.01
2.32
1.13
0.97
1.21
0.82
0.57
0.85
0.78
1.14E-04
3.24E-04
4.09E-04
1.64E-03
1.88E-03
7.90E-03
1.02E-01
Steranes
20R-abb & 20S-aaa-cholestane
20R & S-abb-methylcholestane
20R & S-abb-ethylcholestane
a-22,29,30-trisnorhopane
ba-30-norhopane
ab-hopane
22S-ab-30-homohopane
22R-ab-30-homohopane
22S-ab-30-bishomohopane
22R-ab-30-bishomohopane
27-RS-C
28-RS-M
29-RS-E
TS
ba-N
ab-H
31abS
31abR
32abS
32abR
0.14
0.09
0.11
0.08
0.27
0.19
0.08
0.06
0.05
0.04
0.11
0.07
0.08
0.07
0.21
0.14
0.06
0.04
0.04
0.03
90.4
96.3
98.6
90.4
98.6
99.5
99.8
99.8
99.9
99.9
2.40
2.52
2.44
2.50
2.33
2.20
2.26
2.17
2.16
2.10
0.72
0.96
0.99
0.79
0.98
1.17
1.23
1.13
1.08
1.09
3.50E+00
9.98E+00
2.84E+01
3.46E+00
2.80E+01
7.99E+01
2.28E+02
2.28E+02
6.50E+02
6.50E+02
C12:0
C13:0
C14:0
C15:0
C16:0
C17:0
C18:0
C18:1
536
24.8
96.4
8.74
66.8
1.34
16.4
1.14
405
13.3
66.4
6.16
40.5
0.94
9.48
0.16
0.92
2.57
6.89
17.0
35.6
59.3
79.5
82.9
1.73
0.93
1.68
1.36
1.65
0.73
1.47
1.42
0.83
1.14
1.14
1.06
1.25
1.09
1.49
2.88
2.62E-03
7.46E-03
2.12E-02
6.03E-02
1.72E-01
4.89E-01
1.39E+00
1.75E+00
Cho
Sti
Van
Acv
Con
Syr
Ace
0.30
0.32
275
70.8
10.5
4.43
1.07
0.13
0.17
151
30.3
3.68
0.99
0.23
100
100
0.62
0.62
5.86
16.2
16.4
0.96
1.13
1.33
0.96
1.47
1.37
0.72
1.27
1.44
1.60
1.56
2.29
2.65
2.12
8.77E+02
8.99E+03
1.74E-03
1.75E-03
1.77E-02
5.63E-02
5.67E-02
Alkanoic acids
dodecanoic acid
tridecanoic acid*
tetradecanoic acid*
pentadecanoic acid*
hexadecanoic acid
heptadecanoic acid*
octadecanoic acid
oleic acid*
Sterols and methoxyphenols
cholesterol*
stigmasterol*
vanillin*
acetovanillone*
coniferaldehyde*
syringaldehyde*
acetosyringone*
7
Table S4.
Statistics for the total (gas + particle phase) concentration of each SVOC
estimated for sampling days with ambient temperature above 20 °C (Hot period).
Abbreviation
Mean
Median
7.79
0.16
1.22
0.51
0.46
1.48
0.86
0.52
0.02
0.45
7.53
0.14
1.11
0.48
0.44
1.46
0.84
0.50
0.01
0.33
-3
Bulk species (μg m )
Mass*
Nitrate*
Sulfate
Ammonium*
EC
OC1*
OC2
OC3
OC4*
PC
Nitr
Sulf
Ammo
Mean fraction
(%)
CV
S/N
0.38
0.76
0.46
0.54
0.42
0.25
0.38
0.30
0.86
0.79
4.28
1.27
14.0
10.3
5.81
4.45
3.85
2.13
1.00
2.24
Kp, om (m3 μg-1)
Organic molecular makers (ng m-3)
Alkanes
docosane
tricosane
tetracosane*
pentacosane
hexacosane
heptacosane
octacosane
nonacosane
triacontane*
hentriacontane*
dotriacontane*
tritriacontane
tetratriacontane
pentatriacontane
hexatriacontane*
heptatriacontane*
octatriacontane*
nonatriacontane*
tetracontane*
pentadecylcyclohexane
nonadecylcyclohexane*
C22
C23
C24
C25
C26
C27
C28
C29
C30
C31
C32
C33
C34
C35
C36
C37
C38
C39
C40
cycC21
cycC25
76.8
62.5
13.7
8.50
1.41
1.44
0.52
2.38
0.36
2.53
0.67
0.59
0.37
0.26
0.11
0.07
0.06
0.06
0.04
16.9
0.41
58.4
47.8
9.13
5.80
1.11
1.26
0.40
1.99
0.24
1.60
0.21
0.49
0.24
0.23
0.09
0.05
0.03
0.04
0.03
9.94
0.36
2.21
5.67
13.7
29.2
51.2
72.8
87.3
94.7
97.9
99.2
99.7
99.9
100
100
100
100
100
100
100
0.88
30.1
2.48
2.39
2.01
2.22
1.97
2.55
1.85
2.30
1.48
0.78
0.54
1.93
1.98
1.91
1.43
1.10
0.87
0.89
0.76
2.03
1.80
0.85
0.81
0.94
0.84
0.74
0.54
0.85
0.70
1.14
1.27
1.76
0.78
1.06
0.78
1.08
1.38
1.41
1.06
1.16
1.22
0.62
4.49E-03
1.21E-02
3.24E-02
8.69E-02
2.33E-01
6.26E-01
1.68E+00
4.52E+00
1.21E+01
3.26E+01
8.77E+01
2.36E+02
6.34E+02
1.70E+03
4.59E+03
1.23E+04
3.32E+04
8.94E+04
2.41E+05
1.75E-03
9.06E-02
PAHs
fluoranthene
pyrene
benzo[ghi]fluoranthene
cyclopenta[cd]pyrene*
benz[a]anthracene
chrysene/triphenylene*
benzo[b&k]fluoranthene
benzo[j]fluoranthene*
benz[a&e]pyrene
perylene*
indeno[1,2,3-cd]pyrene
benzo[ghi]perylene
dibenz[ah]anthracene*
picene*
coronene
methyl-202-PAH sum
retene*
methyl-228-PAH sum*
Flu
Pyr
BghiF
C-pyr
BaA
CT
BbkF
BjF
BaeP
Per
IP
BP
DahA
Pic
Cor
M-202
Ret
M-228
20.4
2.49
0.17
0.04
0.12
0.65
0.16
0.01
0.07
0.01
0.03
0.07
0.01
0.01
0.04
12.2
1.59
0.16
15.6
1.92
0.13
0.02
0.07
0.49
0.11
0.01
0.05
0.01
0.02
0.05
0.00
0.00
0.03
9.23
0.81
0.13
0.65
2.85
17.7
21.5
17.0
17.0
59.0
59.0
85.9
85.9
97.8
99.5
97.7
97.7
100
1.73
4.28
34.8
1.76
1.76
1.89
1.51
1.70
2.61
1.78
0.55
1.68
0.78
1.95
2.09
0.88
0.92
1.57
1.64
1.21
2.00
0.82
0.87
0.81
2.04
1.45
1.22
1.97
1.20
1.80
2.86
2.11
1.44
3.33
8.60
1.95
0.90
1.52
0.97
1.29E-03
5.80E-03
4.35E-02
5.57E-02
4.17E-02
4.17E-02
3.13E-01
3.13E-01
1.40E+00
1.40E+00
1.05E+01
4.74E+01
1.01E+01
1.01E+01
1.60E+03
3.47E-03
8.91E-03
1.12E-01
* Species not included for PMF analysis.
8
Table S4. Continued
Abbreviation
Mean
Median
CV
S/N
Kp, om (m3 μg-1)
Oxy-PAHs
acenaphthenone*
fluorenone*
1H-phenalen-1-one*
xanthone*
1,8-naphthalic anhydride*
anthracene-9,10-dione
benz[de]anthracene-7-one*
Mean fraction
(%)
Ace-O
Flu-O
Phe-O
Xan
Nap-DO
Ant-DO
BaA-O
442
518
451
91.5
138
45.4
0.22
91.0
220
198
78.5
114
36.9
0.18
0.02
0.06
0.08
0.30
0.36
1.45
13.0
0.55
0.73
1.68
2.05
1.99
2.00
2.18
1.62
1.60
1.58
0.69
0.63
0.74
0.74
4.65E-05
1.24E-04
1.59E-04
5.83E-04
7.13E-04
2.88E-03
3.00E-02
Steranes
20R-abb & 20S-aaa-cholestane
20R & S-abb-methylcholestane
20R & S-abb-ethylcholestane
a-22,29,30-trisnorhopane
ba-30-norhopane
ab-hopane
22S-ab-30-homohopane
22R-ab-30-homohopane
22S-ab-30-bishomohopane
22R-ab-30-bishomohopane
27-RS-C
28-RS-M
29-RS-E
TS
ba-N
ab-H
31abS
31abR
32abS
32abR
0.19
0.08
0.09
0.11
0.25
0.15
0.06
0.05
0.04
0.04
0.18
0.08
0.08
0.10
0.23
0.14
0.06
0.04
0.04
0.03
76.5
89.4
95.7
77.4
95.9
98.4
99.4
99.4
99.8
99.8
2.23
2.56
2.14
2.37
2.22
2.07
2.09
1.96
1.99
1.92
0.44
0.43
0.44
0.43
0.42
0.44
0.46
0.50
0.49
0.53
7.40E-01
1.99E+00
5.33E+00
7.72E-01
5.56E+00
1.49E+01
4.01E+01
4.01E+01
1.08E+02
1.08E+02
C12:0
C13:0
C14:0
C15:0
C16:0
C17:0
C18:0
C18:1
1662
71.5
407
34.7
188
4.38
21.6
0.64
1180
36.6
301
23.7
120
3.00
14.9
0.24
0.40
1.07
2.80
7.12
16.8
34.4
57.4
63.1
1.67
0.84
1.94
1.45
1.51
0.64
1.47
0.86
1.02
1.25
0.84
0.93
0.98
0.95
0.88
2.91
7.96E-04
2.13E-03
5.72E-03
1.53E-02
4.11E-02
1.10E-01
2.96E-01
3.79E-01
Cho
Sti
Van
Acv
Con
Syr
Ace
0.24
0.33
194
52.7
7.81
3.76
2.66
0.13
0.13
123
8.50
3.24
0.68
0.28
99.8
100
0.32
0.35
2.83
8.08
8.75
0.78
0.69
0.93
0.53
0.94
0.99
0.52
1.29
1.70
1.71
1.94
1.45
3.53
1.85
1.50E+02
1.38E+03
6.26E-04
6.82E-04
5.75E-03
1.75E-02
1.90E-02
Alkanoic acids
dodecanoic acid*
tridecanoic acid*
tetradecanoic acid*
pentadecanoic acid*
hexadecanoic acid*
heptadecanoic acid*
octadecanoic acid*
oleic acid*
Sterols and methoxyphenols
cholesterol*
stigmasterol*
vanillin*
acetovanillone*
coniferaldehyde*
syringaldehyde*
acetosyringone*
9
Table S5. Mean particle-phase fractions of selected SVOCs and data from other field studies.
Fraser et al. (1997,1998)
(PM1.6)
This study (PM2.5)
Simcik et al. (1997, 1998) (TSP)
Tsapakis and Stephanou
(2005) (TSP)
Mandalakis et al.
(2002) (TSP)
Whole
Cold
Warm
Hot
Los Angeles,
Summer
Chicago,
Winter
Chicago,
Summer
Lake Michigan,
Summer
Heraklion (Greece),
Annual
Athens (Greece),
Summer
Average Temp. (°C)
Sample No.
14
970
3.3
364
15
318
24
288
27
32
2.7
1-4
23
1-18
22
2-15
17
16
28
4
Alkanes
docosane
tricosane
tetracosane
pentacosane
hexacosane
heptacosane
octacosane
nonacosane
triacontane
hentriacontane
dotriacontane
tritriacontane
tetratriacontane
pentatriacontane
hexatriacontane
16
29
44
61
77
88
98
98
99
100
100
100
100
100
100
36
58
78
90
96
99
100
100
100
100
100
100
100
100
100
6.4
16
34
57
78
90
96
99
100
100
100
100
100
100
100
2.2
5.7
14
29
51
73
87
95
98
99
100
100
100
100
100
2.8
10
25
32
44
72
94
100
100
100
100
100
100
100
100
PAHs
fluoranthene
pyrene
benzo[ghi]fluoranthene
cyclopenta[cd]pyrene
benz[a]anthracene
chrysene/triphenylene
benzo[b&k]fluoranthene
benzo[j]fluoranthene
benz[a&e]pyrene
perylene
indeno[1,2,3-cd]pyrene
benzo[ghi]perylene
dibenz[ah]anthracene
coronene
retene
4.1
15
44
49
45
45
79
79
94
94
99
100
99
100
21
9.2
31
74
77
75
75
96
96
99
99
100
100
100
100
43
1.5
6.7
35
40
35
35
79
79
95
95
99
100
99
100
11
0.65
2.8
18
22
17
17
59
59
86
86
98
100
98
100
4.3
0.71
1.0
18
35
60
44
100
100
100
100
100
100
17
26
36
56
62
81
66
87
65
91
78
70
55
54
17
20
9.7
14
3.7
4.7
6.4
9.0
95
92
94
81
72
93
49
40
77
32
57
53
94
41
45
96
95
90
88
96
95
92
92
91
98
97
100
100
10
99
100
100
100
100
100
10
Table S5. Continued
This study (PM2.5)
Fraser et al. (1997,1998)
(PM1.6)
Mandalakis et al.
(2002) (TSP)
Whole
Cold
Warm
Hot
Los Angeles,
Summer
Athens (Greece),
Summer
Average Temp. (°C)
Sample No.
14
970
3.3
364
15
318
24
288
27
32
28
4
Sterane and hopanes
20R-abb & 20S-aaa-cholestane
a-22,29,30-trisnorhopane
ab-hopane
22S-ab-30-homohopane
22R-ab-30-homohopane
22S-ab-30-bishomohopane
22R-ab-30-bishomohopane
89
89
99
100
100
100
100
98
98
100
100
100
100
100
90
90
100
100
100
100
100
76
77
98
100
100
100
100
100
100
100
100
100
100
100
40
83
93
92
100
100
11
Table S6.
Correlation coefficients of factor contributions from full data set solution
versus meteorological and trace gas measurements.
Temperature
(°C)
Radiance
(KW-hr m-2)
RH
(%)
Ozone
(ppm)
NOX
(ppm)
CO
(ppm)
Whole period
Nitrate
Sulfate
n-Alkane
Sterane
Light SVOCs
PAH
Bulk carbon
-0.60
0.15
-0.28
-0.35
0.73
-0.39
0.39
-0.46
0.21
-0.22
-0.32
0.50
-0.34
0.33
0.49
0.31
0.10*
0.17
-0.48
0.05*
-0.22
-0.51
0.04*
-0.35
-0.47
0.34
-0.59
0.46
0.45
-0.07*
0.45
0.64
-0.30
0.65
-0.10*
0.39
-0.05*
0.43
0.58
-0.20
0.62
0.05*
Cold period
Nitrate
Sulfate
n-Alkane
Sterane
Light SVOCs
PAH
Bulk carbon
-0.38
-0.22
-0.19
-0.09*
0.61
0.03*
0.15
-0.10*
0.08*
-0.16
-0.28
0.15
-0.06*
0.14
0.40
0.40
-0.11*
-0.01*
-0.34
-0.30
-0.16
-0.40
-0.07*
-0.33
-0.50
0.24
-0.46
-0.15
0.31
-0.03*
0.47
0.57
-0.21
0.57
0.28
0.29
-0.04*
0.43
0.54
-0.15
0.60
0.33
Warm period
Nitrate
Sulfate
n-Alkane
Sterane
Light SVOCs
PAH
Bulk carbon
-0.20
0.16
-0.05*
-0.14*
0.35
-0.25
0.19
-0.18
0.16
-0.06*
-0.10*
0.23
-0.15*
0.09*
0.38
0.43
-0.03*
-0.01*
-0.33
-0.10*
0.28
-0.23
0.12*
-0.05*
-0.21
0.05*
-0.43
0.08*
0.23
-0.16
0.22
0.60
-0.08*
0.62
0.18
0.27
-0.04*
0.17
0.55
-0.06*
0.61
0.25
Factors
Hot period
Nitrate
-0.02*
-0.04*
0.03*
0.03*
0.08*
0.06*
Sulfate
0.07*
0.11*
0.26
0.18
-0.09*
-0.03*
n-Alkane
-0.01*
0.08*
-0.03*
0.05*
0.31
0.16
Sterane
0.01*
0.03*
0.01*
-0.00*
0.36
0.34
-0.45
-0.48
Light SVOCs
0.16
-0.06*
0.01*
0.03*
-0.46
0.44
PAH
-0.15*
-0.15*
-0.11*
0.31
Bulk carbon
0.21
0.17
0.10*
0.36
0.21
0.39
* Correlation is not significant at the 0.01 level (2-tailed), and the absolute r values equal or higher than 0.40 are in bold.
12
Table S7.
Correlation coefficients of factor contributions from sub-data set solutions
versus meteorological and trace gas measurements.
Temperature
(°C)
Radiance
(KW-hr m-2)
RH
(%)
Ozone
(ppm)
NOX
(ppm)
CO
(ppm)
Cold period
Nitrate
Sulfate
n-Alkane
Sterane
Light SVOCs
PAH
Bulk carbon
-0.43
-0.27
-0.22
-0.11*
0.61
-0.10*
-0.04*
-0.09*
0.07*
-0.11*
-0.28
0.17
-0.13*
0.03*
0.39
0.42
-0.09*
-0.00*
-0.40
-0.24
-0.14*
-0.40
-0.09*
-0.32
-0.48
0.26
-0.44
-0.51
0.32
-0.02*
0.43
0.53
-0.22
0.49
0.76
0.29
-0.03*
0.39
0.50
-0.15
0.52
0.76
Warm period
Nitrate
Sulfate
n-Alkane
Sterane
Light SVOCs
PAH
Bulk carbon
-0.06*
0.19
-0.04*
-0.12*
0.33
-0.27
0.23
-0.03*
0.21
-0.06*
-0.03*
0.19
-0.21
0.10*
0.37
0.40
-0.01*
-0.01*
-0.39
-0.12*
0.26
-0.23
0.16
-0.04*
-0.20
0.11*
-0.43
0.03*
0.24
-0.22
0.22
0.58
-0.17
0.61
0.22
0.29
-0.10*
0.16
0.53
-0.15
0.61
0.28
Factors
Hot period
Sulfate
0.08*
0.13*
0.29
0.23
-0.11*
-0.07*
n-Alkane
0.02*
0.11*
-0.01*
0.16
0.15*
0.16
Sterane
-0.02*
0.05*
0.16
0.13*
0.20
0.24
-0.46
Light SVOCs
0.07*
0.02*
-0.36
0.01*
-0.06*
-0.44
0.47
PAH
-0.19
-0.08*
-0.13*
0.32
0.47
Bulk carbon
0.14*
0.05*
0.07*
0.16
0.31
0.59
-0.45
Medium n-alkane
0.26
0.15*
-0.20
-0.04*
* Correlation is not significant at the 0.01 level (2-tailed), and the absolute r values equal or higher than 0.40 are in bold.
13
Figure Captions
Fig. S1 – Median PMF factor profiles for the full data set solution (shaded bars). The whiskers
represent the variability in factor profile derived from bootstrapped PMF solutions
(+ 1 SD). The bars are shaded to show compound class separations.
Fig. S2 – Median PMF factor contributions for the full data set solution (black points). The gray
bars represent the variability in the estimation of factor contribution from
bootstrapped PMF solutions (+/- 1 SD).
Fig. S3 – Day of the week box plots for the factor contributions of full data set solution. The
boxes depict the median (dark line), inner quartile range (shanded box), 10 th and 90th
percentiles (whiskers) and the mean (asterisk). The dashed line across the plot is the
overall median. The individual median values and the number of points contained
within each box are listed below the box.
Fig. S4 – Median PMF factor profiles for the cold period sub-data set solution (shaded bars). The
whiskers represent the variability in factor profile derived from bootstrapped PMF
solutions (+ 1 SD). The bars are shaded to show compound class separations.
Fig. S5 – Median PMF factor profiles for the warm period sub-data set solution (shaded bars).
The whiskers represent the variability in factor profile derived from bootstrapped
PMF solutions (+ 1 SD). The bars are shaded to show compound class separations.
Fig. S6 – Median PMF factor profiles for the hot period sub-data set solution (shaded bars). The
whiskers represent the variability in factor profile derived from bootstrapped PMF
solutions (+ 1 SD). The bars are shaded to show compound class separations.
14
percent of species
percent of species
percent of species
percent of species
percent of species
percent of species
1.0
1.2
1.0
1.2
1.0
1.2
1.0
1.2
1.0
1.2
1.0
1.2
1.0
Fig. S1
docosane
tricosane
tetracosane
pentacosane
hexacosane
heptacosane
octacosane
nonacosane
triacontane
hentriacontane
tritriacontane
tetratriacontane
pentatriacontane
hexatriacontane
heptatriacontane
octatriacontane
nonatriacontane
pentadecylcyclohexane
fluoranthene
pyrene
benzo[ghi]fluoranthene
cyclopenta[cd]pyrene
benz[a]anthracene
benzo[b&k]fluoranthene
benz[a&e]pyrene
indeno[1,2,3−cd]pyrene
benzo[ghi]perylene
coronene
methyl−202−PAH sum
methyl−228−PAH sum
1,8−naphthalic anhydride
anthracene−9,10−dione
benz[de]anthracene−7−one
20R−abb & 20S−aaa−cholestane
20R & S−abb−methylcholestane
20R & S−abb−ethylcholestane
a−22,29,30−trisnorhopane
ba−30−norhopane
ab−hopane
22S−ab−30−homohopane
22R−ab−30−homohopane
22S−ab−30−bishomohopane
22R−ab−30−bishomohopane
dodecanoic acid
hexadecanoic acid
octadecanoic acid
nitrate
sulfate
EC
OC_PK2
OC_PK3
PC
percent of species
1.2
a) Nitrate
0.8
0.6
0.4
0.2
0.0
b) Sulfate
0.8
0.6
0.4
0.2
0.0
c) n−Alkane
0.8
0.6
0.4
0.2
0.0
d) Sterane
0.8
0.6
0.4
0.2
0.0
e) Light SVOC
0.8
0.6
0.4
0.2
0.0
f) PAH
0.8
0.6
0.4
0.2
0.0
g) Bulk carbon
0.8
0.6
0.4
0.2
0.0
15
(ng/m³)
Contribution
a) Nitrate
15000
●
●
10000
5000
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
● ● ●
●●
●
● ●
●
●
●
●●
●
●● ● ●
●
●
●
●
●
●
●
(ng/m³)
Contribution
●
●
●
b) Sulfate
10000
8000
●
●
●
●
●
6000
●
●
●
4000
●
●
●
●
●
●
●
●
● ●
●
●
●
●
●
●
●●
●
●
●
●
●
●●
●
●
●
●●
●
● ●
●
● ●
●
● ●
●●
●
●
●●
●
●
●● ●
●
● ●
●
●
●
●
●
●
●
●
●●
●
●
●
●
●
●● ● ●
●
●
●
●
●
●
●●●●
●
●●
●
●
●
●
●
●
● ● ●
●
● ●
●
●●
●
●
●
●
●
● ●●
●
●●
●
●
●
●●
●
●● ● ● ●●
●
●
●
●
● ●●●●
●●
● ● ●●●
●
●
●●●
● ●● ●●●●●●
● ●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
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●
●
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●
●
●
●
●●
● ●●●●●
●
●●●●●● ●
● ●
●●●
●●
●●●● ●
●● ●●
●●
●● ● ● ●●
●
●
●
● ●●
●
●
●●
● ● ●● ●●●●●●●●● ●
●
● ●
●
●●
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●
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●●
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●
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●
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● ●●●●
● ●●
●
●
● ●
●●●● ●● ● ●●●● ●
●●● ●
●
● ●●●●● ●
● ●●
● ● ● ●●● ●
●●
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●●
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● ● ●
●●● ●●●●
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● ●
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●
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●● ●●
●
●●●● ● ●
●●●
●
●●
●●
●
●● ●
●
●
●
●●●● ●
●
●
●
●●
●●
●
● ●●●● ● ●
●
● ●●●
●
●
●
●●
●●
●
●●
●
●
●
●
●●
●
●
●
●
●
●●
●
● ●
●●
●
●
● ●●
●●
● ●●
●
●●
●●
●
●
●
●
●
●●
●●●●●●
●
●●●●●● ●
●●●
● ● ●
●
●
●●●●
●
●
●
●●●●●
●●
● ● ●●●
●
●
●●
●●●●●●●● ●●
●●
●
● ● ● ●● ●
●●
●
●
●
●
●
●●
● ●●
●●
●
●
● ●
●
●●●
●
●
●
●
●
●
●
●
●
●
●
●
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●
●●
●
●●
●
●●
● ●●●●
● ●
●●
●●
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●
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●
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●
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●
●●
●
●
●● ●●
●●
●
●
●●
●
2000
●
c) n−Alkane
2000
●
(ng/m³)
Contribution
●
●
●
●
●
●
●
●●
●
●
●
●●
●
●
● ●
●
●
●
●● ● ●
●
●
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●
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● ●
●
●
●
●
●
●
● ● ●
●
●
●
● ● ● ●
●●●● ●
●
●● ●
●● ●
● ●●
● ●
●
●
●
●●
●
●● ●
● ●
● ●
●
●
●●
●
●●
●
● ●
●
●
●
●● ● ● ●●
●
●●● ●
● ●
●●●
● ●
●
●
● ●●
●
●●● ●
●
●● ● ●
●
●● ●●
●●
● ● ●● ●● ● ●
●
●●
●
●
● ●●●● ●
●
●●
●
●
●●● ●●●
●
● ●● ● ●
●
●
●●
●● ●●●●
●
●●● ●
●
●
● ● ● ●● ●
● ●● ●● ● ● ● ● ●● ●
●
●
●
●
● ●
●●● ● ●● ● ●
● ● ●● ● ●
●●
●
●
●●●
●
●
●
●
●
●● ●
●
●
●●
●
●●
●
● ●
●●●● ●
●●
●●●
●
●●●●
●
●
●
● ●
●
●●● ● ●
●●
●● ● ●●
●● ●
●
●
●
●
●
● ●●● ●
●
●
●
●
●
●
●
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●
●
●
●
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●●
●
●
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●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
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●
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●
●
●
●
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●
●
●
●
●
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●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
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1000
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500
●
g) Bulk carbon
●● ●
●●●
●
●
●
●
4000
(ng/m³)
● ●
●
0
Contribution
●
●
(ng/m³)
Contribution
f) PAH
●
●
●
●
●
●
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●
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●
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●
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●●
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●
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●
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● ● ● ● ● ●●
●
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●
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●
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●
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●
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●
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●
●
●
●
●
●
●
●
●
●
●
●
●
●
●
●● ● ● ●● ● ● ●
●
●
●
●
●
●
●●
●
● ●● ●●●●●
●
●● ●●●●
●
●●● ● ●● ●
●●
●
●
●●● ● ●
●
●●
●
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●
●● ●● ●
● ●●
●
●
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● ●● ●
●●
● ●
●
2000
0
−2000
Jan
Fig. S2
Mar
May
Jul
2003
Sep
Nov
Jan
Mar
May
Jul
2004
Sep
Nov
Jan
Mar
May
Jul
2005
Sep
Nov
16
Contribution (ng/m³)
5000
a) Nitrate
4000
3000
2000
1000
0
med:
n:
232
140
297
138
218
138
303
138
233
138
182
138
227
139
1015
138
961
138
909
138
878
138
851
138
879
139
97
138
99
138
93
138
109
138
139
138
141
139
108
138
97
138
103
138
100
138
89
138
75
139
95
140
87
138
98
138
86
138
83
138
102
138
87
139
127
140
153
138
133
138
137
138
172
138
133
138
85
139
814
140
912
138
919
138
898
138
906
138
744
138
686
139
Mon
Tue
Wed
Thu
Fri
Sat
Sun
Contribution (ng/m³)
Contribution (ng/m³)
Contribution (ng/m³)
Contribution (ng/m³)
3000
b) Sulfate
2500
2000
1500
1000
500
0
med:
n:
c) n−Alkane
600
400
200
0
med:
n:
Contribution (ng/m³)
102
140
d) Sterane
500
400
300
200
100
0
med:
n:
103
140
e) Light SVOC
500
400
300
200
100
0
med:
n:
800
f) PAH
600
400
200
0
med:
n:
2500
Contribution (ng/m³)
1042
140
g) Bulk carbon
2000
1500
1000
500
0
med:
n:
Fig. S3
17
percent of species
percent of species
percent of species
percent of species
percent of species
percent of species
1.0
1.2
1.0
1.2
1.0
1.2
1.0
1.2
1.0
1.2
1.0
1.2
1.0
Fig. S4
docosane
tricosane
tetracosane
pentacosane
hexacosane
heptacosane
octacosane
nonacosane
triacontane
hentriacontane
tritriacontane
tetratriacontane
pentatriacontane
hexatriacontane
heptatriacontane
octatriacontane
nonatriacontane
pentadecylcyclohexane
fluoranthene
pyrene
benzo[ghi]fluoranthene
cyclopenta[cd]pyrene
benz[a]anthracene
benzo[b&k]fluoranthene
benz[a&e]pyrene
indeno[1,2,3−cd]pyrene
benzo[ghi]perylene
coronene
methyl−202−PAH sum
methyl−228−PAH sum
1,8−naphthalic anhydride
anthracene−9,10−dione
benz[de]anthracene−7−one
20R−abb & 20S−aaa−cholestane
20R & S−abb−methylcholestane
20R & S−abb−ethylcholestane
a−22,29,30−trisnorhopane
ba−30−norhopane
ab−hopane
22S−ab−30−homohopane
22R−ab−30−homohopane
22S−ab−30−bishomohopane
22R−ab−30−bishomohopane
dodecanoic acid
hexadecanoic acid
octadecanoic acid
nitrate
sulfate
EC
OC_PK2
OC_PK3
PC
percent of species
1.2
a) Nitrate
0.8
0.6
0.4
0.2
0.0
b) Sulfate
0.8
0.6
0.4
0.2
0.0
c) n−Alkane
0.8
0.6
0.4
0.2
0.0
d) Sterane
0.8
0.6
0.4
0.2
0.0
e) Light SVOC
0.8
0.6
0.4
0.2
0.0
f) PAH
0.8
0.6
0.4
0.2
0.0
g) Bulk carbon
0.8
0.6
0.4
0.2
0.0
18
percent of species
percent of species
percent of species
percent of species
percent of species
percent of species
1.0
1.2
1.0
1.2
1.0
1.2
1.0
1.2
1.0
1.2
1.0
1.2
1.0
Fig. S5
docosane
tricosane
tetracosane
pentacosane
hexacosane
heptacosane
octacosane
nonacosane
triacontane
hentriacontane
tritriacontane
tetratriacontane
pentatriacontane
hexatriacontane
heptatriacontane
octatriacontane
nonatriacontane
pentadecylcyclohexane
fluoranthene
pyrene
benzo[ghi]fluoranthene
cyclopenta[cd]pyrene
benz[a]anthracene
benzo[b&k]fluoranthene
benz[a&e]pyrene
indeno[1,2,3−cd]pyrene
benzo[ghi]perylene
coronene
methyl−202−PAH sum
methyl−228−PAH sum
1,8−naphthalic anhydride
anthracene−9,10−dione
benz[de]anthracene−7−one
20R−abb & 20S−aaa−cholestane
20R & S−abb−methylcholestane
20R & S−abb−ethylcholestane
a−22,29,30−trisnorhopane
ba−30−norhopane
ab−hopane
22S−ab−30−homohopane
22R−ab−30−homohopane
22S−ab−30−bishomohopane
22R−ab−30−bishomohopane
dodecanoic acid
hexadecanoic acid
octadecanoic acid
nitrate
sulfate
EC
OC_PK2
OC_PK3
PC
percent of species
1.2
a) Nitrate
0.8
0.6
0.4
0.2
0.0
b) Sulfate
0.8
0.6
0.4
0.2
0.0
c) n−Alkane
0.8
0.6
0.4
0.2
0.0
d) Sterane
0.8
0.6
0.4
0.2
0.0
e) Light SVOC
0.8
0.6
0.4
0.2
0.0
f) PAH
0.8
0.6
0.4
0.2
0.0
g) Bulk carbon
0.8
0.6
0.4
0.2
0.0
19
anthracene−9,10−dione
methyl−202−PAH sum
coronene
benzo[ghi]perylene
indeno[1,2,3−cd]pyrene
benz[a&e]pyrene
benzo[b&k]fluoranthene
PC
OC_PK3
OC_PK2
EC
sulfate
22R−ab−30−bishomohopane
22S−ab−30−bishomohopane
22R−ab−30−homohopane
22S−ab−30−homohopane
ab−hopane
ba−30−norhopane
a−22,29,30−trisnorhopane
20R & S−abb−ethylcholestane
20R & S−abb−methylcholestane
20R−abb & 20S−aaa−cholestane
Fig. S6
benz[a]anthracene
1.0
pyrene
1.2
benzo[ghi]fluoranthene
1.0
fluoranthene
1.2
pentatriacontane
1.0
pentadecylcyclohexane
1.2
tetratriacontane
1.0
nonacosane
1.2
tritriacontane
1.0
octacosane
percent of species
1.2
hexacosane
percent of species
percent of species
1.0
heptacosane
percent of species
1.2
pentacosane
percent of species
percent of species
1.0
tricosane
docosane
percent of species
1.2
a) Sulfate
0.8
0.6
0.4
0.2
0.0
b) n−Alkane
0.8
0.6
0.4
0.2
0.0
c) Sterane
0.8
0.6
0.4
0.2
0.0
d) Light SVOC
0.8
0.6
0.4
0.2
0.0
e) PAH
0.8
0.6
0.4
0.2
0.0
f) Bulk carbon
0.8
0.6
0.4
0.2
0.0
g) Medium n−alkane
0.8
0.6
0.4
0.2
0.0
20
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