Supporting Information for
Concentrations and inhalation risk assessment of short-chain polychlorinated paraffins in the urban air of Dalian, China
Xiuhua Zhu1,*, Hao Bai1, Yuan Gao2, Jiping Chen2,*, Heping Yuan2, Longxing Wang2, Wei Wang1, Xuewei Dong1, Xiaoxiao Li 3
1 School of Environmental and Chemical Engineering, Dalian Jiaotong University, Dalian 116028, China
2 Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China
3 Dalian Meteorological Observatory, Dalian 116001, China
*Corresponding authors.
Xiuhua Zhu:
Tel.: +86-411-84109335
E-mail address:
Jiping Chen:
Tel.: +86-411-84379562
E-mail address:
Summary
Ten pages, 8 Table and 2 Description.
Detailed description about the sampling surrounding environment
DJU is located in the campus of Dalian Jiaotong University which is close to the residential buildings, research institutes, university’s restaurants, barbecue stall street and adjacent to two roads with heavy traffic (Xinan road and Huanghe road are about 0.12 and 0.09 km from the DJU sampling site, respectively). In the campus of Dalian Jiaotong University there is a coal-fired boiler house, the chimney of that is about 0.12 km from DJU sampling site. A coal-fired power plant at the southwest of DJU is about 1.08 km from the sampling site. DJU is about 3.3 km from DICP.
The sampling site of DICP is located on a hillside. The surroundings of this site include the exhausted air outlet of the central air – conditioning of the building (about 20 m from the sampling device), residential buildings, a light traffic road and a vast expanse of mountain with many trees and plants on it.
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Detailed description on the preparation of anhydrous sodium sulfate, acid gel, and basic alumina
Prior to use, anhydrous sodium sulfate (Damao, China) was put into the crucible and baked at 400 0C in the muffle furnace for 4 h，which was stirred once every hour until it was free of lumps.
Both the silica gel and basic alumina (Activity Super I, 63–200 μm, pH 10) were precleaned with dichloromethane (DCM) by accelerated solvent extraction (ASE 350, Dionex, USA) at 120 0C for three cycles at 10 min per cycle, and then activated at 130 0C for 10 h after solvent volatilized.
Acid silica gel (44% w/w) was prepared by mixing 200 g of activated silica gel with 157 g of concentrated sulfuric acid, after which a high-speed shaking process for at least 2 h was performed to smash the aggregation.
Table S1 Congener groups and the two most abundant [M−Cl]- isotope fragment ions of SCCPs
Congener / Cl% / monitored quantitative ions m/z / monitored qualitative ions m/zC10H17Cl5 / 56.4 / 279 / 277
C11H19Cl5 / 54.0 / 293 / 291
C12H21Cl5 / 51.7 / 307 / 305
C10H16Cl6 / 61.0 / 313 / 315
C13H23Cl5 / 49.7 / 321 / 323
C11H18Cl6 / 58.6 / 327 / 329
C12H20Cl6 / 56.4 / 341 / 343
C10H15Cl7 / 64.7 / 347 / 349
C13H22Cl6 / 54.4 / 355 / 357
C11H17Cl7 / 62.4 / 361 / 363
C12H19Cl7 / 60.3 / 375 / 377
C10H14Cl8 / 67.9 / 381 / 383
C13H21Cl7 / 58.3 / 389 / 391
C11H16Cl8 / 65.7 / 395 / 397
C12H18Cl8 / 63.6 / 409 / 411
C10H13Cl9 / 70.5 / 415 / 417
C13H20Cl8 / 61.7 / 423 / 425
C11H15Cl9 / 68.4 / 429 / 431
C12H17Cl9 / 66.4 / 443 / 445
C10H12Cl10 / 72.8 / 449 / 451
C13H19Cl9 / 64.5 / 459 / 457
C11H14Cl10 / 70.8 / 463 / 465
C12H16Cl10 / 68.9 / 479 / 477
C13H18Cl10 / 67.0 / 493 / 491
Table S2 The total concentration (C, ng · m-3) of SCCPs and the relative abundances of their homologue groups in gas-phase and particulate-phase samples at DJU in 2010
Gas phase / March / April / May / July / August / September / OctoberC10H17Cl5 / 4.14% / 2.72% / 2.90% / 1.10% / 1.03% / 1.01% / 2.08%
C11H19Cl5 / 9.14% / 8.70% / 5.81% / 5.43% / 9.01% / 6.54% / 6.40%
C12H21Cl5 / 7.38% / 7.08% / 4.34% / 2.55% / 4.83% / 3.15% / 4.38%
C10H16Cl6 / 38.14% / 37.55% / 32.55% / 35.67% / 39.93% / 39.31% / 36.66%
C13H23Cl5 / 3.18% / 3.40% / 2.36% / 1.55% / 2.70% / 1.78% / 2.95%
C11H18Cl6 / 8.12% / 8.73% / 8.62% / 8.68% / 9.35% / 9.63% / 10.02%
C12H20Cl6 / 3.51% / 4.25% / 4.35% / 3.41% / 3.93% / 3.81% / 5.70%
C10H15Cl7 / 5.39% / 6.33% / 8.77% / 9.27% / 7.55% / 8.00% / 8.04%
C13H22Cl6 / 2.88% / 3.43% / 3.56% / 3.23% / 3.20% / 3.21% / 5.14%
C11H17Cl7 / 3.30% / 4.27% / 7.06% / 7.79% / 5.77% / 7.12% / 5.45%
C12H19Cl7 / 2.08% / 2.19% / 3.33% / 3.69% / 2.59% / 3.53% / 2.18%
C10H14Cl8 / 1.98% / 3.56% / 4.37% / 3.87% / 2.85% / 2.92% / 2.89%
C13H21Cl7 / 2.35% / 1.62% / 2.18% / 2.88% / 1.54% / 2.40% / 1.60%
C11H16Cl8 / 2.36% / 2.62% / 4.67% / 5.94% / 3.53% / 4.34% / 3.14%
C12H18Cl8 / 0.81% / 0.69% / 1.06% / 1.47% / 0.67% / 0.98% / 0.74%
C10H13Cl9 / 0.77% / 0.55% / 0.76% / 0.76% / 0.36% / 0.46% / 0.41%
C13H20Cl8 / 1.02% / 0.66% / 0.88% / 0.84% / 0.37% / 0.71% / 0.67%
C11H15Cl9 / 0.66% / 0.41% / 0.63% / 0.67% / 0.30% / 0.42% / 0.36%
C12H17Cl9 / 0.40% / 0.22% / 0.35% / 0.40% / 0.13% / 0.20% / 0.24%
C10H12Cl10 / 0.69% / 0.35% / 0.41% / 0.22% / 0.12% / 0.12% / 0.25%
C13H19Cl9 / 0.85% / 0.39% / 0.62% / 0.39% / 0.15% / 0.28% / 0.43%
C11H14Cl10 / 0.44% / 0.16% / 0.23% / 0.12% / 0.05% / 0.07% / 0.14%
C12H16Cl10 / 0.18% / 0.07% / 0.10% / 0.04% / 0.02% / 0.02% / 0.06%
C13H18Cl10 / 0.22% / 0.05% / 0.08% / 0.03% / 0.02% / 0.01% / 0.05%
C (ng m-3) / 6.12 / 30.18 / 13.57 / 17.79 / 64.26 / 42.85 / 13.41
Particulate phase / March / April / May / July / August / September / October
C10H17Cl5 / 0.15% / 0.29% / 0.19% / 0.29% / 0.07% / 0.09% / 0.22%
C11H19Cl5 / 3.37% / 2.12% / 3.00% / 3.43% / 3.22% / 2.47% / 3.34%
C12H21Cl5 / 2.27% / 1.68% / 2.43% / 2.48% / 2.32% / 1.65% / 2.42%
C10H16Cl6 / 5.46% / 6.28% / 8.73% / 9.44% / 7.23% / 6.00% / 8.61%
C13H23Cl5 / 2.01% / 1.54% / 1.87% / 1.76% / 1.90% / 1.38% / 1.93%
C11H18Cl6 / 2.44% / 2.90% / 3.12% / 2.66% / 2.23% / 2.18% / 3.41%
C12H20Cl6 / 4.17% / 2.44% / 2.87% / 2.12% / 1.99% / 1.89% / 2.69%
C10H15Cl7 / 2.80% / 3.81% / 4.22% / 3.15% / 3.02% / 2.89% / 5.48%
C13H22Cl6 / 8.65% / 4.51% / 4.61% / 3.97% / 3.97% / 3.37% / 4.29%
C11H17Cl7 / 3.72% / 6.09% / 7.32% / 4.12% / 4.68% / 5.01% / 7.89%
C12H19Cl7 / 6.47% / 5.87% / 7.50% / 5.06% / 5.55% / 5.72% / 6.32%
C10H14Cl8 / 5.91% / 6.82% / 5.31% / 4.05% / 4.33% / 4.82% / 5.49%
C13H21Cl7 / 12.35% / 8.08% / 7.45% / 8.48% / 8.82% / 7.84% / 6.50%
C11H16Cl8 / 8.11% / 11.28% / 13.42% / 9.16% / 11.92% / 12.18% / 13.35%
C12H18Cl8 / 3.61% / 4.97% / 4.96% / 5.69% / 6.03% / 6.34% / 4.65%
C10H13Cl9 / 5.69% / 5.83% / 3.08% / 3.70% / 3.49% / 4.11% / 2.85%
C13H20Cl8 / 5.37% / 5.10% / 4.24% / 6.99% / 6.67% / 6.94% / 4.26%
C11H15Cl9 / 4.04% / 4.19% / 3.68% / 3.82% / 4.34% / 4.67% / 3.47%
C12H17Cl9 / 2.23% / 2.84% / 2.64% / 4.01% / 4.03% / 4.44% / 2.92%
C10H12Cl10 / 4.10% / 4.65% / 2.06% / 3.43% / 2.97% / 3.46% / 2.05%
C13H19Cl9 / 3.63% / 4.76% / 4.63% / 7.85% / 7.17% / 8.01% / 5.01%
C11H14Cl10 / 2.12% / 2.24% / 1.45% / 2.20% / 2.02% / 2.35% / 1.44%
C12H16Cl10 / 0.83% / 0.99% / 0.63% / 1.12% / 1.08% / 1.18% / 0.74%
C13H18Cl10 / 0.49% / 0.71% / 0.58% / 1.04% / 0.96% / 1.00% / 0.68%
C (ng m-3) / 10.47 / 4.46 / 1.55 / 0.52 / 2.18 / 1.65 / 2.83
Table S3 The total concentration (C, ng · m-3) of SCCPs and the relative abundances of their homologue groups in gas-phase and particulate-phase samples at DICP in 2016
/ Gas phase / Particulate phaseSeptember / October / September / October
C10H17Cl5 / 5.99% / 7.01% / 1.23% / 1.64%
C11H19Cl5 / 1.69% / 2.15% / 0.64% / 0.74%
C12H21Cl5 / 1.57% / 2.16% / 0.96% / 1.38%
C10H16Cl6 / 37.30% / 33.90% / 7.94% / 8.40%
C13H23Cl5 / 2.63% / 4.39% / 1.81% / 3.04%
C11H18Cl6 / 8.30% / 8.27% / 3.40% / 3.21%
C12H20Cl6 / 5.10% / 7.09% / 3.40% / 3.09%
C10H15Cl7 / 11.25% / 8.74% / 5.31% / 5.31%
C13H22Cl6 / 3.67% / 5.56% / 4.91% / 4.29%
C11H17Cl7 / 7.85% / 6.96% / 8.64% / 7.75%
C12H19Cl7 / 3.30% / 3.17% / 8.25% / 6.53%
C10H14Cl8 / 3.07% / 2.70% / 4.53% / 4.82%
C13H21Cl7 / 1.48% / 1.49% / 8.71% / 7.38%
C11H16Cl8 / 3.90% / 3.11% / 10.53% / 10.32%
C12H18Cl8 / 0.88% / 0.71% / 5.95% / 4.92%
C10H13Cl9 / 0.59% / 0.60% / 3.35% / 3.61%
C13H20Cl8 / 0.56% / 0.62% / 7.92% / 7.45%
C11H15Cl9 / 0.42% / 0.49% / 3.46% / 3.92%
C12H17Cl9 / 0.16% / 0.21% / 2.23% / 2.58%
C10H12Cl10 / 0.09% / 0.19% / 1.77% / 2.52%
C13H19Cl9 / 0.14% / 0.31% / 3.41% / 4.42%
C11H14Cl10 / 0.04% / 0.09% / 0.79% / 1.20%
C12H16Cl10 / 0.02% / 0.05% / 0.49% / 0.81%
C13H18Cl10 / 0.01% / 0.05% / 0.39% / 0.66%
C (ng m-3) / 63.58 / 89.05 / 1.72 / 1.95
Table S4 The distribution patterns of the SCCP congeners with different amount of carbon atoms in autumn
/ Gas phase / Particulate phase2010 / 2016 / 2010 / 2016
∑C10-SCCPs / 51.08% / 55.71% / 23.04% / 25.22%
∑C11-SCCPs / 26.82% / 21.63% / 30.88% / 27.30%
∑C12-SCCPs / 12.48% / 12.21% / 20.48% / 20.29%
∑C13-SCCPs / 9.62% / 10.45% / 25.60% / 27.19%
Table S5 The distribution patterns of the SCCP congeners with different amount of chlorine atoms in autumn
/ Gas phase / Particulate phase2010 / 2016 / 2010 / 2016
∑Cl5-SCCPs / 14.14% / 13.79% / 6.75% / 5.73%
∑Cl6-SCCPs / 56.74% / 54.60% / 16.23% / 19.32%
∑Cl7-SCCPs / 19.15% / 22.12% / 23.82% / 28.94%
∑Cl8-SCCPs / 8.20% / 7.77% / 29.01% / 28.21%
∑Cl9-SCCPs / 1.40% / 1.46% / 17.74% / 13.49%
∑Cl10-SCCPs / 0.36% / 0.27% / 6.45% / 4.31%
Table S6 Air concentrations (ng · m-3) of SCCPs in autumn
2010 / 2016Gas phase / 28.13 / 76.32
Particulate phase / 2.24 / 1.84
Total / 30.37 / 78.15
Table S7 Concentration levels of short chain chlorinated paraffin in the atmosphere of different countries and regions
Countries/areas / Sampling time / Analytical techniques / Average ConcentrationsDalian, China [This study] / 9-10, 2016 / GC-ECNI-LRMS / autumn： / 78.2 ng · m-3
Dalian, China [This study] / 3-10, 2010 / GC-ECNI-LRMS / spring：
summer：
autumn：
winter： / 16.2–66.4 ng · m-3
24.9 ng · m-3
42.1 ng · m-3
30.4 ng · m-3
16.6 ng · m-3
Beijing, China [1] / 6-7, 2011
1-2, 2011 / GC-ECNI-HRMS / summer：
winter： / 112-332 ng · m-3
1.85-33.0 ng · m-3
Lancaster, UK [2] / 5, 1997 – 4,1998 / GC-ECNI-HRMS / 5.4–1085 pg · m-3
Lancaster, UK [3] / 5, 1997–1, 1998 / GC-ECNI-HRMS / 99 (± 101) pg · m-3
S. Ontario, Canada [3] / summer,1990 / GC-ECNI-HRMS / 543 (± 318) pg · m-3
Alert, Canada [3] / 9 and 12, 1992 / GC-ECNI-HRMS / 20 (± 32) pg · m-3
Alert, Canada [4] / autum and
winter, 1992 / GC-ECNI-HRMS / PUF: / <1–8.5 pg · m-3
Egbert, ON, Canada [4] / summer，1990 / GC-ECNI-HRMS / PUF: / 65–924 pg · m-3
Antarctic[5] / 1-2, 2013 / GC-ECNI-LRMS / 9.6-20.8 pg · m-3
Mt. Zeppelin, Svalbard, Norway [6] / 3–6, 1999 / GC-ECNI-HRMS / 9.0–57 pg · m-3
Bear Island, Norway [7] / 5–11, 2000 / GC-ECNI-HRMS / 1.8–10.6 ng · m-3
Hazelrigg field station, UK [8] / 4–5, 2003 / GC-ECNI-HRMS / <180–3400 pg · m-3
Note: * n.d. not detected out; Sampling methods in Table S7 were all used high-volume active sampler, particle fraction was collected by a glass microfiber filter (GFF) , and gas phase was collected by polyurethane foam (PUF) plug.
Table S8 The gas-particle partitioning coefficients, LogPL0 and LogKoa of SCCPs
C10H17Cl5 / 0.00071 / 0.00020 / 0.00012 / 0.00012 / 0.00003 / 0.00004 / 0.00042 / -2.3 / 8.5
C11H19Cl5 / 0.00703 / 0.00045 / 0.00092 / 0.00029 / 0.00017 / 0.00018 / 0.00204 / -2.7 / 8.9
C12H21Cl5 / 0.00586 / 0.00044 / 0.00100 / 0.00044 / 0.00022 / 0.00025 / 0.00217 / -3.0 / 9.4
C10H16Cl6 / 0.00273 / 0.00031 / 0.00048 / 0.00012 / 0.00008 / 0.00007 / 0.00092 / -2.9 / 9.2
C13H23Cl5 / 0.01208 / 0.00084 / 0.00142 / 0.00051 / 0.00033 / 0.00037 / 0.00257 / -3.4 / 9.8
C11H18Cl6 / 0.00573 / 0.00062 / 0.00065 / 0.00014 / 0.00011 / 0.00011 / 0.00134 / -3.3 / 9.6
C12H20Cl6 / 0.02263 / 0.00107 / 0.00118 / 0.00028 / 0.00024 / 0.00024 / 0.00186 / -3.6 / 10
C10H15Cl7 / 0.00991 / 0.00112 / 0.00086 / 0.00015 / 0.00019 / 0.00017 / 0.00268 / -3.6 / 9.8
C13H22Cl6 / 0.05729 / 0.00245 / 0.00232 / 0.00055 / 0.00058 / 0.00050 / 0.00328 / -4.0 / 10.5
C11H17Cl7 / 0.02150 / 0.00267 / 0.00186 / 0.00024 / 0.00038 / 0.00034 / 0.00568 / -3.9 / 10.3
C12H19Cl7 / 0.05935 / 0.00502 / 0.00404 / 0.00061 / 0.00100 / 0.00077 / 0.01140 / -4.3 / 10.7
C10H14Cl8 / 0.05683 / 0.00358 / 0.00218 / 0.00047 / 0.00071 / 0.00079 / 0.00745 / -4.2 / 10.5
C13H21Cl7 / 0.10018 / 0.00934 / 0.00613 / 0.00132 / 0.00267 / 0.00157 / 0.01594 / -4.6 / 11.2
C11H16Cl8 / 0.06563 / 0.00806 / 0.00515 / 0.00069 / 0.00158 / 0.00134 / 0.01666 / -4.6 / 10.9
C12H18Cl8 / 0.08533 / 0.01351 / 0.00842 / 0.00173 / 0.00421 / 0.00309 / 0.02453 / -4.9 / 11.4
C10H13Cl9 / 0.14109 / 0.01978 / 0.00722 / 0.00219 / 0.00458 / 0.00429 / 0.02724 / -4.9 / 11.2
C13H20Cl8 / 0.10007 / 0.01441 / 0.00858 / 0.00374 / 0.00841 / 0.00468 / 0.02483 / -5.3 / 11.8
C11H15Cl9 / 0.11596 / 0.01930 / 0.01046 / 0.00254 / 0.00685 / 0.00526 / 0.03765 / -5.2 / 11.6
C12H17Cl9 / 0.10514 / 0.02378 / 0.01337 / 0.00450 / 0.01479 / 0.01087 / 0.04845 / -5.6 / 12
C10H12Cl10 / 0.11261 / 0.02525 / 0.00889 / 0.00710 / 0.01141 / 0.01387 / 0.03174 / -5.5 / 11.9
C13H19Cl9 / 0.08127 / 0.02294 / 0.01341 / 0.00896 / 0.02303 / 0.01368 / 0.04532 / -5.9 / 12.5
C11H14Cl10 / 0.09160 / 0.02676 / 0.01148 / 0.00821 / 0.01731 / 0.01630 / 0.04097 / -5.9 / 12.2
C12H14Cl10 / 0.08613 / 0.02616 / 0.01166 / 0.01128 / 0.02458 / 0.02909 / 0.05295 / -6.2 / 12.7
C13H18Cl10 / 0.04342 / 0.02477 / 0.01252 / 0.01785 / 0.02820 / 0.03262 / 0.05076 / -6.6 / 13.1
andfrom Ref. [1, 5].