Occurrence and Removal of Antibiotics in Eight Sewage Treatment Plants in Beijing, China

Supplementary Data for

Occurrence and Distribution of Antibiotics in Urban Soils in Beijing and Shanghai, China

Lihong Gaoa,b,Yali Shib, Wenhui Lia, Jiemin Liua,*, Yaqi Caib,*

aSchool of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing100083, China.

bState Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Centerfor Eco-Environmental Sciences, Chinese Academy of Sciences,Beijing 100085, China.

*Corresponding author

Jiemin Liu:

Tel: +86 10 62333095; fax: +86 10 62333095.

E-mail:

Yaqi Cai:

Tel: +86 10 62849182; fax: +86 10 62849182.

E-mail:

Table S1Experimental conditions of electrospray ionization tandem massspectrometry for the determination of 22 antibiotics and 7 surrogates

Table S2Correlation coefficients (R), linear range, limits of detection (LODs，S/N=3) and recovery rates of 22 antibiotics

Table S3 Concentrations of antibiotics in Beijing urban soil samples

Table S4Concentrations of antibiotics in Shanghai urban soil samples

Table S5 Characterization of urban soil samples in Beijing

Table S6Characterization of urban soil samples in Shanghai

Analysis methods of HPLC-MS/MS

Separation of analytes was carried out on a XTerra MS C18 column (2.1 mm×100 mm i.d., 3.5 μm) with mobile phase of A, methanol: acetonitrile (1:1, V/V), and B, 0.3% formic acid/water (containing 0.1% ammonium formate, V/V，pH=2.9). The gradient elution was performed as follows: A 10% in the first 2 min,10-70% in 10 min, thenincreased to 100 % in 4 min and maintained for 3 min,after that, the mobile phase was returned to the initial conditions in 0.1 min and maintained for 13.9 min. The flow rate of the mobile phase was 0.2 mL min-1, and the column temperature was 25 °C.The injection volume was 15μL. The MS/MS parameters for the instrument were optimized. Curtain gas pressure: 0.14 MPa, Collision gas pressure: nd2 MPa, Ion spray voltage: 5000 V, Tempreture: 600°C, Gas1: 0.38MPa, Gas2: 0.45 MPa. The detailed parameters of MS/MS and ion pair of the analytes are shown in Table S1.

Table S1Experimental conditions of electrospray ionization tandem mass spectrometry for thedetermination of 22 antibiotics and 7 surrogates

Groups / Analytes / Parent
ion(m/z) / Daughter
ion(m/z) / Declustering
Potential/V / Entrance
Potential/V / Collision cell
ent potential/V / Collision
Energy/eV / Collision cell
exit potential/V
QNs / NOR / 320.1 / 276.3 / 45 / 8.0 / 11 / 23 / 10.0
302.2a / 40 / 8.0 / 11 / 28 / 10.0
CIP / 332.1 / 231.1 / 58 / 4.5 / 14 / 49 / 9.5
314.3a / 55 / 5.0 / 11 / 28 / 6.0
DIF / 400.0 / 299.1 / 60 / 4.0 / 13 / 41 / 12.0
356.2a / 60 / 4.0 / 13 / 28 / 13.0
ENR / 360.0 / 245.2 / 55 / 5.0 / 12 / 39 / 9.5
316.2a / 58 / 5.0 / 11 / 28 / 11.0
FLE / 370.0 / 269.2 / 45 / 4.5 / 20 / 34 / 10.0
326.2a / 45 / 4.5 / 12 / 27 / 12.0
OFL / 362.2 / 261.2 / 55 / 5.0 / 24 / 38 / 10.0
318.2a / 55 / 5.0 / 12 / 27 / 11.0
LOM / 352.0 / 265.2a / 53 / 5.0 / 12 / 34 / 10.0
308.2 / 55 / 4.0 / 37 / 32 / 12.0
SAR / 386.0 / 299.2 / 65 / 4.5 / 13 / 37 / 6.5
368.2a / 60 / 4.5 / 14 / 31 / 7.0
NOR-d5 / 325.3 / 281.4 / 50 / 8.5 / 11 / 23 / 6.0
307.3a / 40 / 7.5 / 11 / 27 / 6.5
OFL-d3 / 365.2 / 261.2 / 55 / 6.0 / 12 / 39 / 10.0
321.2a / 55 / 6.0 / 12 / 28 / 11.5
SAR-d8 / 394.2 / 350.3 / 60 / 6.0 / 13 / 28 / 12.0
376.2a / 59 / 6.0 / 12 / 33 / 14.0
SAs / STZ / 256.0 / 108.0 / 43 / 4.5 / 10 / 36 / 4.5
156.0a / 42 / 4.2 / 10 / 21 / 4.5
SMX / 254.0 / 156.0a / 45 / 4.0 / 9 / 23 / 5.2
160.1 / 47 / 4.5 / 9 / 27 / 6.0
SIA / 268.1 / 108.0 / 46 / 4.5 / 12 / 37 / 4.5
156.0a / 46 / 4.5 / 9 / 21 / 5.0
SPD / 250.1 / 108.0 / 38 / 7.0 / 11 / 36 / 4.5
156.0a / 41 / 4.7 / 9 / 24 / 5.5
SDM / 311.2 / 108.0 / 55 / 4.5 / 12 / 41 / 4.5
156.1a / 57 / 4.0 / 12 / 30 / 6.0
SMZ / 279.2 / 156.0 / 47 / 4.5 / 9 / 27 / 6.0
186.1a / 49 / 4.0 / 10 / 25 / 6.5

Table S1Experimental conditions of electrospray ionization tandem mass spectrometry for the determination of 22 antibiotics and 7 surrogates(continued)

Groups / Analytes / Parent
ion
(m/z) / Daughter
ion
(m/z) / Declustering
Potential/
V / Entrance
Potential/
V / Collision cell
ent potential/
V / Collision
Energy/
eV / Collision cell
exit potential/
V
SAs / SDZ / 251.1 / 108.0 / 42 / 4.3 / 11 / 35 / 4.2
156.0a / 43 / 3.5 / 9 / 23 / 5.0
SMR / 265.2 / 107.9a / 47 / 4.5 / 11 / 37 / 4.5
156.0 / 48 / 5.0 / 10 / 24 / 5.5
SMM / 281.2 / 156.0a / 50 / 5.0 / 10 / 26 / 5.5
215.1 / 48 / 5.0 / 9 / 25 / 7.0
SMZ-d4 / 283.1 / 160.0a / 48 / 4.5 / 10 / 28 / 6.0
186.0 / 48 / 4.5 / 10 / 26 / 6.5
SMX-d4 / 257.9 / 112.0 / 44 / 4.5 / 11 / 36 / 4.8
160.0a / 44 / 4.5 / 9 / 25 / 5.5
MLs / SPI / 843.4 / 174.1a / 87 / 10.0 / 30 / 50 / 8.0
318.3 / 85 / 9.5 / 30 / 42 / 8.0
JOS / 828.3 / 174.2a / 79 / 10.0 / 30 / 47 / 7.5
229.1 / 77 / 10.0 / 28 / 43 / 8.5
TYL / 916.3 / 174.0a / 83 / 10.0 / 33 / 55 / 8.0
772.3 / 85 / 9.0 / 29 / 43 / 17.0
ERY / 734.3 / 158.2a / 60 / 4.8 / 27 / 41 / 6.0
576.3 / 58 / 4.8 / 23 / 28 / 12.0
ROX / 837.4 / 158.1a / 62 / 7.0 / 30 / 48 / 7.0
679.4 / 62 / 6.5 / 26 / 30 / 14.0
SPI I-d3 / 846.4 / 174.1a / 85 / 10.0 / 30 / 52 / 8.0
432.3 / 30 / 4.5 / 27 / 18 / 15.0
ERY-13C,d3 / 738.0 / 162.1a / 55 / 5.0 / 25 / 45 / 7.0
580.3 / 55 / 5.0 / 23 / 28 / 12.0

a quantitative ion.

Table S2Correlation coefficients (R), linear range, limits of detection (LODs，S/N=3) and recovery rates of 22 antibiotics

Groups / Analytes / Surrogates / R / Linearity range (μgL-1) / LODs
(μgL-1) / Recovery
±SD(%)
QNs / NOR / NOR-d5 / 0.9968 / 0.1-1000 / 0.05 / 80.5±7.0
CIP / NOR-d5 / 0.9958 / 0.1-1000 / 0.02 / 101.7±13.3
DIF / OFL-d3 / 0.9934 / 0.05-1000 / 0.02 / 89.4±7.9
ENR / OFL-d3 / 0.9936 / 0.05-1000 / 0.02 / 94.2±11.8
FLE / OFL-d3 / 0.9955 / 0.1-1000 / 0.03 / 99.0±5.1
OFL / OFL-d3 / 0.9961 / 0.1-1000 / 0.04 / 75.1±10.4
LOM / OFL-d3 / 0.9949 / 0.05-1000 / 0.02 / 112.3±3.1
SAR / SAR-d8 / 0.9989 / 0.05-1000 / 0.02 / 83.8±2.5
SAs / STZ / SMX-d4 / 0.9912 / 0.05-500 / 0.003 / 96.2±10.5
SMX / SMX-d4 / 0.9991 / 0.05-500 / 0.03 / 85.6±6.1
SIA / SMX-d4 / 0.9947 / 0.05-500 / 0.01 / 68.3±7.2
SPD / SDMD-d4 / 0.9943 / 0.05-500 / 0.009 / 79.5±11.3
SDM / SDMD-d4 / 0.9987 / 0.05-500 / 0.002 / 53.3±7.6
SMZ / SDMD-d4 / 0.9975 / 0.05-500 / 0.004 / 88.0±5.3
SDZ / SDMD-d4 / 0.9975 / 0.05-500 / 0.03 / 88.1±10.4
SMR / SDMD-d4 / 0.9966 / 0.05-500 / 0.01 / 85.7±11.7
SMM / SDMD-d4 / 0.9982 / 0.05-500 / 0.02 / 61.4±6.2
MLs / SPI / SPI I-d3 / 0.9960 / 0.1-100 / 0.02 / 85.7±9.5
JOS / SPI I-d3 / 0.9915 / 0.1-100 / 0.01 / 66.0±4.2
TYL / SPI I-d3 / 0.9908 / 0.1-100 / 0.01 / 98.3±13.6
ROX / SPI I-d3 / 0.9847 / 0.1-100 / 0.02 / 69.1±16.7
ERY / ERY-13C, d3 / 0.9963 / 0.1-100 / 0.03 / 62.9±2.5

Table S3 Concentrations of antibiotics in Beijing urban soil samples (μg kg-1, dw)

Sites / NOR / OFL / CIP / DIF / ENR / FLE / LOM / SAR / SMX / SPD / SMZ / SDZ / SMM / SPI / JOS / TYL / ROX / ERY
B1 / 8.8 / 2.7 / 1.4 / nd / 0.5 / nd / 0.4 / nd / nd / nd / nd / 0.1 / nd / nd / nd / nd / 0.1 / nd
B2 / 31.4 / 54.8 / 3.2 / nd / 1.5 / 559 / 6.0 / nd / 0.2 / nd / nd / 0.5 / nd / nd / nd / nd / nd / nd
B3 / 36.5 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B4 / 18.0 / 2.8 / 0.4 / 0.8 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B5 / 30.1 / 3.4 / 0.2 / nd / 1.1 / 14.5 / 11.1 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B6 / 151 / 51.1 / 6.0 / nd / 2.7 / 3.9 / 2.6 / nd / 0.2 / nd / 0.1 / 0.4 / nd / nd / nd / nd / nd / nd
B7 / 71.2 / 8.0 / 1.6 / nd / nd / nd / nd / nd / nd / nd / nd / 0.3 / nd / nd / nd / nd / nd / nd
B8 / 81.5 / 14.1 / 1.2 / nd / nd / nd / nd / nd / 0.1 / nd / nd / 0.5 / nd / nd / nd / nd / 0.4 / nd
B9 / 22.7 / 4.1 / 0.5 / nd / 0.7 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B10 / 18.9 / 40.1 / 0.7 / nd / 0.5 / nd / nd / nd / nd / nd / 0.2 / nd / nd / nd / nd / nd / nd / nd
B11 / 630 / 507 / 1.2 / nd / 1.4 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B12 / 29.7 / 8.3 / 3.9 / nd / nd / nd / nd / nd / 0.2 / nd / nd / nd / nd / nd / nd / nd / nd / nd
B13 / 23.8 / 3.4 / 0.4 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B14 / 110 / 8.9 / 0.9 / nd / nd / nd / nd / nd / nd / nd / nd / 5.4 / nd / nd / nd / nd / 0.1 / nd
B15 / 67.4 / 898 / 8.1 / nd / 0.6 / nd / nd / nd / 0.7 / nd / nd / 0.8 / nd / nd / nd / nd / nd / nd
B16 / 32.9 / 21.4 / 2.1 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B17 / 10.4 / 4.8 / 1.4 / nd / 1.1 / nd / 1.4 / 0.7 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B18 / 14.8 / 5.8 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B19 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B20 / 15.8 / 7.7 / 0.3 / 0.5 / nd / nd / nd / nd / nd / nd / nd / 0.1 / nd / nd / nd / nd / nd / nd
B21 / 17.1 / 0.8 / 0.6 / nd / 1.2 / nd / nd / nd / nd / nd / 0.1 / nd / nd / nd / nd / nd / nd / nd
B22 / 24.8 / 42.8 / 0.4 / nd / nd / 8.1 / 0.8 / nd / nd / nd / nd / 0.1 / nd / 1.1 / nd / nd / nd / nd
B23 / 166 / 30.7 / 0.3 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / 0.1 / nd
B24 / 185 / 14.8 / 2.8 / nd / nd / nd / nd / nd / 0.1 / nd / nd / nd / nd / nd / nd / nd / 0.1 / nd
B25 / 51.2 / 14.6 / 1.4 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B26 / 17.0 / 1.8 / 2.0 / nd / 0.3 / nd / 0.8 / 0.4 / 0.4 / nd / nd / nd / nd / nd / nd / nd / nd / nd
B27 / 10.5 / 1.9 / 0.6 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B28 / 16.5 / 1.0 / 1.1 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B29 / 19.4 / 4.2 / 1.0 / nd / 0.7 / nd / nd / nd / nd / nd / 0.1 / 0.5 / nd / nd / nd / nd / nd / nd
B30 / 14.5 / 5.7 / 2.5 / nd / nd / nd / nd / nd / nd / nd / nd / 0.3 / nd / nd / nd / nd / nd / nd
B31 / nd / 7.2 / 3.8 / nd / nd / nd / nd / nd / 0.7 / nd / nd / 0.3 / nd / nd / nd / nd / 0.1 / nd
B32 / 5.7 / 0.5 / 0.2 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B33 / 74.7 / 2.6 / 1.7 / nd / nd / nd / nd / nd / 7.5 / nd / nd / nd / nd / nd / nd / nd / 0.2 / nd
B34 / 893 / 63.4 / 3.5 / nd / nd / 16.9 / 3.8 / nd / 0.2 / nd / nd / 0.4 / nd / nd / nd / nd / nd / nd
B35 / 23.1 / 5.3 / 2.2 / nd / 0.5 / nd / 1.0 / 0.3 / nd / nd / nd / nd / nd / nd / nd / nd / 0.2 / nd
B36 / 2.7 / 0.7 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B37 / 6.7 / 10.6 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B38 / 37.8 / 126 / nd / nd / 0.9 / nd / 5.0 / nd / 7.1 / nd / 0.1 / 2.7 / nd / nd / nd / nd / nd / nd
B39 / nd / 5.5 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B40 / 281 / 9.8 / nd / nd / nd / nd / nd / nd / 0.1 / nd / nd / 0.2 / nd / nd / nd / nd / 0.3 / nd
B41 / 29.2 / 3.0 / 0.8 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B42 / 38.5 / 32.3 / nd / nd / 1.1 / nd / 1.9 / nd / 3.5 / nd / 0.1 / 7.1 / 0.1 / nd / nd / nd / 0.2 / nd
B43 / 35.9 / 6.8 / nd / nd / nd / nd / nd / nd / 0.2 / nd / nd / 0.8 / 0.1 / nd / nd / nd / 0.1 / nd
B44 / 24.2 / 4.3 / 0.5 / nd / 0.5 / nd / nd / nd / 0.1 / nd / nd / nd / nd / nd / nd / nd / nd / nd
B45 / 32.3 / 11.5 / 9.2 / 1.4 / 5.6 / nd / 2.0 / 2.8 / 0.6 / nd / nd / 2.3 / nd / nd / nd / nd / nd / nd
B46 / 2160 / 338 / 0.9 / nd / nd / nd / 93.6 / nd / 22.9 / nd / nd / 0.7 / nd / nd / nd / nd / 0.1 / nd
B47 / 9.3 / 1.2 / 0.3 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B48 / 17.0 / 3.0 / 0.3 / nd / nd / nd / nd / nd / nd / nd / nd / 0.2 / nd / nd / nd / nd / nd / nd
B49 / 9.4 / 2.0 / 0.4 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B50 / 25.8 / 31.2 / 1.3 / nd / 1.3 / nd / nd / nd / 0.1 / nd / 0.2 / 0.2 / nd / nd / nd / nd / 0.3 / nd
B51 / 51.6 / 9.1 / 0.6 / nd / 1.2 / nd / nd / nd / 0.1 / nd / nd / 0.2 / nd / 0.2 / nd / nd / 0.1 / 0.9
B52 / 17.0 / 32.2 / 0.7 / nd / nd / nd / 1.6 / nd / 0.4 / nd / nd / 2.2 / nd / nd / nd / nd / 0.1 / nd
B53 / 50.7 / 11.6 / nd / nd / nd / 8.3 / 1.3 / nd / nd / nd / nd / nd / nd / nd / nd / nd / 2.2 / nd
B54 / 39.8 / 4.7 / nd / nd / nd / nd / nd / nd / 0.1 / nd / nd / 0.3 / nd / nd / nd / nd / 0.1 / nd
B55 / 15.8 / 9.6 / 1.0 / nd / nd / nd / nd / nd / 0.2 / nd / nd / 1.0 / nd / nd / nd / nd / nd / nd
B56 / 140 / 5.1 / 0.5 / nd / 0.3 / nd / nd / nd / 0.1 / nd / nd / 0.3 / nd / nd / nd / nd / 0.1 / nd
B57 / 45.0 / 6.8 / 0.7 / nd / 0.4 / nd / 0.5 / nd / 0.2 / nd / 0.2 / 0.4 / nd / nd / nd / nd / 0.1 / nd
B58 / 78.6 / 6.8 / nd / nd / nd / nd / nd / nd / 0.1 / nd / nd / 0.3 / nd / nd / nd / nd / 0.2 / nd
B59 / 38.1 / 11.2 / 1.3 / nd / nd / nd / nd / nd / 0.3 / nd / nd / 0.3 / nd / nd / nd / nd / nd / nd
B60 / 26.3 / 4.8 / 0.2 / nd / nd / nd / nd / nd / 0.1 / nd / nd / 0.2 / nd / nd / nd / nd / nd / nd
B61 / 16.2 / 4.4 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B62 / 10.2 / 10.0 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
B63 / 62.9 / 5.0 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / 0.1 / nd / nd / nd / nd / nd
B64 / 268 / 87.1 / 29.7 / 1.8 / 5.4 / 9.0 / 2.9 / 4.1 / 0.2 / nd / 0.1 / 0.6 / nd / nd / nd / nd / nd / nd
B65 / 38.1 / 7.7 / 1.3 / nd / nd / nd / 0.4 / nd / nd / nd / 0.1 / 0.2 / nd / nd / nd / nd / nd / nd
B66 / 48.5 / 15.6 / 1.7 / nd / nd / nd / 0.9 / nd / nd / nd / nd / 0.4 / nd / nd / nd / nd / 0.3 / nd
B67 / 75.9 / 16.1 / 1.9 / nd / nd / nd / 0.8 / nd / nd / nd / 0.2 / 0.4 / nd / nd / nd / 0.4 / 0.3 / 3.8
B68 / 86.1 / 139 / 3.6 / nd / 1.1 / nd / 1.1 / nd / 0.4 / 0.7 / 0.1 / 1.2 / nd / nd / nd / nd / 0.3 / nd
B69 / 2.9 / 2.0 / nd / nd / nd / nd / 0.3 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd

nd: not detected.

Table S4 Concentrations of antibiotics in Shanghai urban soil samples (μg kg-1, dw)

Sites / NOR / OFL / CIP / DIF / ENR / FLE / LOM / SAR / SMX / SMZ / SDZ / SMM / SPI / ROX / ERY
S1 / 18.6 / 1.0 / 0.4 / nd / nd / nd / nd / nd / nd / 0.1 / nd / 0.1 / nd / nd / nd
S2 / 186 / 80.3 / 43.0 / nd / nd / nd / 1.9 / nd / 0.7 / 0.1 / nd / nd / nd / 0.1 / nd
S3 / 431 / 10.7 / 0.5 / nd / nd / nd / nd / nd / nd / 0.1 / nd / nd / nd / nd / nd
S4 / 19.9 / 5.5 / 1.0 / nd / nd / nd / 0.3 / nd / nd / nd / nd / nd / nd / nd / nd
S5 / 81.7 / 6.9 / 18.0 / nd / 3.3 / nd / 0.5 / nd / nd / 2.8 / nd / 0.2 / nd / nd / nd
S6 / 22.2 / 8.0 / 2.2 / nd / nd / nd / 0.4 / nd / nd / 0.1 / nd / nd / nd / nd / nd
S7 / 30.1 / 13.4 / 2.3 / nd / nd / nd / 1.0 / nd / nd / nd / nd / nd / nd / 0.2 / nd
S8 / 130 / 85.3 / 6.3 / nd / nd / nd / 0.7 / nd / 0.2 / nd / nd / nd / nd / nd / nd
S9 / 38.3 / 11.7 / 1.2 / nd / nd / nd / 0.3 / nd / nd / nd / nd / nd / nd / nd / nd
S10 / 51.1 / 12.6 / 4.9 / nd / nd / nd / 0.1 / nd / nd / nd / nd / nd / nd / nd / nd
S11 / 15.3 / 1.4 / 1.0 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
S12 / 591 / 30.6 / 3.8 / nd / nd / nd / nd / nd / 0.5 / nd / 0.7 / nd / 0.1 / nd / 0.6
S13 / 104 / 0.9 / 1.4 / nd / 1.6 / nd / nd / nd / nd / 0.1 / nd / nd / nd / nd / nd
S14 / 52.6 / 16.6 / 3.5 / nd / 0.7 / nd / 0.9 / nd / nd / nd / nd / nd / nd / nd / nd
S15 / 203 / 9.3 / 0.6 / nd / nd / nd / nd / nd / 3.0 / nd / nd / nd / nd / nd / nd
S16 / 44.2 / 1.8 / 1.0 / nd / nd / nd / nd / nd / nd / nd / 0.3 / nd / nd / nd / nd
S17 / 24.0 / 26.2 / 1.9 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / 0.1 / nd
S18 / 94.1 / 33.5 / 17.4 / nd / nd / nd / nd / nd / 0.6 / nd / nd / nd / nd / 0.1 / nd
S19 / 3.3 / 10.7 / nd / nd / nd / nd / 79.9 / nd / 1.5 / nd / 0.1 / nd / nd / nd / nd
S20 / 500 / 106 / 158 / nd / nd / nd / 1.5 / nd / 3.0 / nd / nd / nd / nd / 0.1 / nd
S21 / 31.4 / 2.0 / 0.9 / nd / nd / nd / 0.2 / nd / nd / nd / nd / nd / nd / 0.3 / nd
S22 / 79.6 / 17.1 / 1.1 / nd / nd / nd / nd / nd / 0.6 / nd / nd / nd / nd / 0.1 / nd
S23 / 34.4 / 67.6 / 1.5 / nd / nd / nd / 4.4 / nd / 0.3 / 0.1 / nd / nd / nd / nd / nd
S24 / 431 / 97.1 / 287 / nd / nd / nd / nd / nd / 0.2 / nd / nd / nd / nd / 0.1 / nd
S25 / 6.1 / 3.3 / 9.5 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
S26 / 61.2 / 1.7 / nd / nd / nd / nd / 0.1 / nd / 0.1 / nd / nd / nd / nd / nd / nd
S27 / 315 / 85.0 / 105 / 16.0 / 128 / 61.5 / 13.9 / 9.1 / nd / nd / nd / nd / nd / nd / nd
S28 / 41.8 / 1.8 / 1.7 / nd / nd / nd / nd / nd / 0.1 / nd / nd / nd / nd / nd / nd
S29 / 58.7 / 17.8 / 0.4 / nd / nd / nd / 0.6 / nd / 0.6 / nd / nd / nd / nd / nd / 0.5
S30 / 13.1 / 0.5 / 0.8 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
S31 / 12.5 / 6.4 / 0.9 / nd / nd / nd / nd / nd / 0.2 / nd / nd / nd / 0.1 / nd / nd
S32 / 92.5 / 64.4 / 2.6 / nd / 1.0 / nd / 1.2 / nd / 0.9 / nd / nd / nd / nd / nd / nd
S33 / 4.1 / 49.3 / nd / nd / nd / nd / 9.6 / nd / 3.4 / 0.1 / nd / nd / 0.1 / nd / nd
S34 / 14.0 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
S35 / 310 / 66.8 / 1.6 / nd / 1.7 / nd / 0.7 / nd / 0.2 / 0.1 / nd / nd / nd / nd / nd
S36 / nd / nd / nd / nd / nd / nd / nd / nd / 0.4 / 0.1 / nd / nd / nd / nd / nd
S37 / 51.0 / 3.8 / 3.9 / nd / nd / nd / nd / nd / nd / 0.1 / 0.2 / nd / 0.1 / nd / nd
S38 / 110 / 11.7 / 3.2 / nd / nd / nd / 0.7 / nd / nd / nd / nd / nd / 0.1 / nd / nd
S39 / 20.2 / 2.0 / nd / nd / 0.6 / nd / nd / nd / nd / nd / 0.7 / nd / nd / nd / nd
S40 / 102 / 551 / 16.0 / nd / 28.5 / nd / 2.2 / nd / 0.1 / 0.2 / nd / nd / nd / nd / 0.1
S41 / 71.8 / 6.1 / 1.1 / nd / nd / nd / nd / nd / 6.1 / 0.1 / nd / nd / nd / 0.2 / nd
S42 / 33.4 / 3.2 / 0.9 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
S43 / 37.9 / 2.4 / 1.9 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
S44 / 19.4 / 0.5 / 0.4 / nd / nd / nd / nd / nd / nd / 0.1 / 0.7 / nd / nd / nd / nd
S45 / 11.2 / 2.1 / 0.7 / nd / 1.1 / nd / 0.9 / nd / nd / nd / nd / nd / nd / nd / nd
S46 / 61.8 / 114 / 33.2 / 21.5 / 49.0 / 64.8 / 20.4 / 8.6 / 0.1 / nd / nd / nd / nd / nd / nd
S47 / 104 / 6.9 / 236 / nd / 20.9 / nd / 0.7 / nd / 0.3 / 0.2 / nd / 0.1 / 0.1 / nd / nd
S48 / 24.1 / 22.3 / 4.9 / nd / 7.7 / nd / nd / nd / 0.3 / 0.1 / nd / nd / nd / nd / nd
S49 / 77.5 / 4.3 / 4.0 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
S50 / 15.2 / 3.0 / 1.0 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
S51 / 38.8 / 21.2 / 62.5 / 4.1 / 15.0 / nd / 4.5 / 1.9 / 0.6 / nd / nd / nd / nd / nd / nd
S52 / 13.4 / 1.9 / 1.3 / nd / 0.9 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
S53 / 20.9 / 3.3 / 3.1 / nd / nd / nd / nd / nd / 0.1 / nd / nd / nd / nd / nd / nd
S54 / 26.9 / 5.2 / 1.8 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd
S55 / 4.8 / nd / 0.5 / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd / nd

nd: not detected.

Table S5 Characterization ofurban soil samplesin Beijing

Sites / pH / TOC
(%) / Fe
(μg/g) / Ti
(μg/g) / Mn
(μg/g) / Zn
(μg/g) / V
(μg/g) / Cu
(μg/g) / Cd
(μg/g) / Pb
(μg/g)
B1 / 7.59 / 2.04 / 7839 / 482 / 135 / nd / 9.63 / 5.70 / nd / 1.19
B2 / 7.21 / 3.09 / 8924 / 474 / 158 / 42.68 / 9.65 / 17.56 / 0.07 / 17.84
B3 / 7.03 / 1.65 / 8498 / 493 / 119 / 9.66 / 10.15 / 6.27 / 0.01 / 3.25
B4 / 7.65 / 2.67 / 6938 / 286 / 108 / 18.25 / 5.41 / 6.24 / 0.02 / 3.33
B5 / 7.48 / 1.80 / 9148 / 363 / 151 / 18.05 / 9.11 / 7.17 / 0.02 / 3.83
B6 / 7.37 / 1.42 / 9291 / 393 / 150 / 22.30 / 10.75 / 7.73 / 0.04 / 5.31
B7 / 7.27 / 2.32 / 8651 / 357 / 133 / 54.65 / 9.76 / 8.69 / 0.09 / 11.16
B8 / 7.09 / 3.31 / 8868 / 365 / 142 / 45.75 / 11.37 / 9.58 / 0.08 / 8.91
B9 / 7.32 / 2.54 / 8541 / 399 / 146 / 39.38 / 10.16 / 8.61 / 0.04 / 7.75
B10 / 7.36 / 2.17 / 9753 / 458 / 151 / 33.18 / 12.20 / 27.98 / 0.04 / 5.89
B11 / 7.25 / 2.59 / 9261 / 429 / 182 / 83.35 / 10.51 / 10.77 / 0.09 / 13.63
B12 / 7.91 / 1.44 / 8433 / 401 / 142 / 33.60 / 10.19 / 9.39 / 0.01 / 6.50
B13 / 7.70 / 1.76 / 8568 / 435 / 133 / 23.40 / 10.17 / 7.90 / 0.00 / 5.38
B14 / 7.51 / 3.58 / 9698 / 368 / 188 / 39.93 / 11.15 / 10.93 / 0.09 / 11.06
B15 / 7.49 / 2.04 / 8578 / 526 / 121 / 29.98 / 12.77 / 6.40 / 0.43 / 4.78
B16 / 7.56 / 2.23 / 8838 / 424 / 135 / 38.45 / 13.18 / 7.30 / 0.04 / 7.54
B17 / 7.48 / 1.73 / 7226 / 437 / 114 / nd / 8.60 / 5.95 / nd / 0.63
B18 / 7.84 / 1.03 / 9113 / 402 / 153 / 18.23 / 11.42 / 6.73 / nd / 2.12
B19 / 7.73 / 0.98 / 9276 / 415 / 154 / 17.48 / 10.56 / 6.62 / nd / 2.36
B20 / 7.60 / 2.13 / 8808 / 439 / 147 / 28.45 / 11.06 / 9.20 / 0.03 / 5.36
B21 / 7.39 / 3.06 / 9598 / 401 / 160 / 21.03 / 10.38 / 8.62 / 0.04 / 5.28
B22 / 7.19 / 1.44 / 8661 / 473 / 125 / 24.15 / 12.33 / 6.11 / 0.00 / 3.37
B23 / 7.37 / 1.47 / 8121 / 492 / 146 / 31.40 / 9.81 / 7.09 / 0.01 / 4.42
B24 / 7.69 / 1.78 / 8848 / 458 / 130 / 17.38 / 11.67 / 6.04 / 0.00 / 3.08
B25 / 7.82 / 4.01 / 10103 / 431 / 154 / 128.25 / 9.85 / 9.84 / 0.08 / 10.40
B26 / 7.64 / 1.58 / 8329 / 448 / 140 / nd / 10.44 / 6.24 / nd / 0.91
B27 / 7.36 / 1.80 / 9085 / 435 / 156 / 24.33 / 8.37 / 7.23 / 0.03 / 3.17
B28 / 7.10 / 3.03 / 8298 / 340 / 157 / 20.68 / 6.44 / 9.53 / 0.04 / 5.27
B29 / 7.48 / 2.83 / 9210 / 449 / 152 / 43.18 / 9.53 / 11.72 / 0.05 / 6.65
B30 / 7.56 / 3.05 / 7861 / 420 / 135 / 3.28 / 9.33 / 7.89 / nd / 4.48
B31 / 7.83 / 4.55 / 9135 / 425 / 153 / 78.93 / 8.81 / 19.28 / 0.10 / 18.77
B32 / 7.78 / 1.68 / 8648 / 495 / 148 / 17.70 / 8.94 / 6.46 / 0.01 / 1.41
B33 / 7.12 / 2.24 / 9203 / 456 / 146 / 15.83 / 9.82 / 7.86 / 0.01 / 2.56
B34 / 7.56 / 4.64 / 13265 / 516 / 185 / 95.53 / 9.67 / 13.63 / 0.10 / 11.23
B35 / 7.68 / 1.62 / 7896 / 383 / 142 / nd / 8.95 / 7.28 / nd / 1.10
B36 / 7.57 / 1.13 / 8895 / 456 / 145 / 16.55 / 9.46 / 6.18 / nd / 0.72
B37 / 7.34 / 1.98 / 9303 / 394 / 155 / 15.38 / 8.97 / 8.26 / 0.02 / 2.53
B38 / 7.33 / 1.91 / 9278 / 415 / 148 / 15.43 / 9.55 / 9.81 / 0.01 / 4.49
B39 / 7.63 / 1.82 / 8705 / 433 / 140 / 12.25 / 8.96 / 6.29 / 0.00 / 1.56
B40 / 7.48 / 2.13 / 8088 / 410 / 143 / 25.83 / 6.75 / 20.83 / 0.01 / 15.75
B41 / 7.16 / 1.89 / 8988 / 436 / 169 / 18.98 / 10.10 / 9.94 / 0.00 / 7.60
B42 / 7.12 / 2.84 / 9110 / 448 / 152 / 60.33 / 12.45 / 11.00 / 0.02 / 20.50
B43 / 7.84 / 3.49 / 9700 / 450 / 165 / 27.70 / 9.78 / 8.39 / 0.03 / 4.75
B44 / 7.72 / 2.31 / 10073 / 386 / 190 / 18.60 / 9.32 / 7.91 / 0.01 / 2.80
B45 / 7.18 / 2.23 / 8429 / 424 / 139 / nd / 10.12 / 10.46 / nd / 3.97
B46 / 7.07 / 2.38 / 9633 / 401 / 192 / 24.05 / 9.23 / 11.87 / 0.02 / 4.33
B47 / 7.90 / 1.74 / 8010 / 425 / 136 / 10.25 / 10.47 / 5.78 / 0.01 / 0.79
B48 / 7.48 / 2.05 / 9490 / 488 / 163 / 25.05 / 10.09 / 9.76 / 0.02 / 5.02
B49 / 7.76 / 2.50 / 9403 / 371 / 159 / 21.15 / 8.16 / 15.27 / 0.00 / 10.56
B50 / 7.48 / 2.79 / 9653 / 379 / 166 / 30.40 / 9.61 / 13.36 / 0.07 / 9.41
B51 / 7.04 / 2.41 / 9380 / 383 / 155 / 23.15 / 7.75 / 11.84 / 0.03 / 4.45
B52 / 7.15 / 2.22 / 8875 / 438 / 150 / 12.48 / 8.39 / 7.56 / 0.02 / 1.58
B53 / 7.36 / 3.61 / 11885 / 391 / 183 / 44.50 / 9.71 / 13.62 / 0.09 / 9.24
B54 / 7.37 / 2.78 / 9185 / 399 / 153 / 47.83 / 8.14 / 9.44 / 0.03 / 4.33
B55 / 7.15 / 2.06 / 8760 / 451 / 150 / 15.38 / 8.59 / 10.81 / 0.01 / 13.77
B56 / 7.70 / 2.00 / 8268 / 421 / 144 / 14.63 / 10.02 / 7.44 / 0.01 / 2.45
B57 / 7.47 / 2.30 / 9553 / 376 / 166 / 21.78 / 9.14 / 11.57 / 0.03 / 4.79
B58 / 7.53 / 2.81 / 9068 / 487 / 152 / 32.20 / 9.17 / 15.33 / 0.06 / 7.24
B59 / 7.43 / 2.91 / 11803 / 439 / 223 / 48.78 / 10.10 / 19.78 / 0.06 / 8.09
B60 / 7.64 / 2.70 / 9203 / 448 / 160 / 21.08 / 10.03 / 13.01 / 0.01 / 5.24
B61 / 7.47 / 1.46 / 9535 / 378 / 168 / 16.90 / 9.91 / 8.36 / 0.00 / 1.53
B62 / 7.54 / 1.81 / 8798 / 391 / 153 / 11.23 / 9.31 / 8.28 / 0.01 / 2.81
B63 / 7.57 / 1.56 / 8423 / 464 / 141 / 12.85 / 11.15 / 6.92 / 0.02 / 2.09
B64 / 7.24 / 3.25 / 8563 / 334 / 149 / 36.75 / 8.91 / 12.45 / 0.06 / 13.83
B65 / 7.37 / 2.31 / 9108 / 383 / 144 / 39.05 / 10.72 / 12.50 / 0.03 / 6.53
B66 / 7.60 / 3.78 / 11409 / 487 / 203 / 95.10 / 9.11 / 16.11 / 0.11 / 17.33
B67 / 7.68 / 3.41 / 12069 / 570 / 244 / 80.30 / 9.88 / 14.82 / 0.04 / 8.92
B68 / 7.23 / 5.74 / 16199 / 500 / 312 / 123.93 / 9.47 / 23.34 / 0.13 / 16.15
B69 / 7.58 / 3.31 / 9578 / 445 / 173 / 15.80 / 10.34 / 10.74 / 0.02 / 4.82

nd: not detected.

Table S6 Characterization ofurban soil samples in Shanghai

Sites / pH / TOC
(%) / Fe
(μg/g) / Ti
(μg/g) / Mn
(μg/g) / Zn
(μg/g) / V
(μg/g) / Cu
(μg/g) / Cd
(μg/g) / Pb
(μg/g)
S1 / 7.49 / 1.39 / 8878 / 368 / 191 / 25.02 / 6.24 / 6.44 / 0.01 / 10.41
S2 / 7.31 / 1.88 / 9305 / 412 / 190 / 15.77 / 8.26 / 6.76 / 0.01 / 4.57
S3 / 7.28 / 2.56 / 10301 / 346 / 229 / 33.60 / 10.68 / 10.07 / 0.06 / 8.88
S4 / 7.69 / 1.50 / 10455 / 373 / 212 / 26.19 / 8.30 / 7.29 / nd / 4.09
S5 / 7.43 / 2.18 / 9798 / 395 / 197 / 42.69 / 8.57 / 9.88 / 0.04 / 6.34
S6 / 7.68 / 3.04 / 12515 / 398 / 1770 / 108.1 / 13.10 / 13.25 / 0.59 / 61.59
S7 / 7.62 / 2.25 / 10888 / 417 / 216 / 28.12 / 9.59 / 7.55 / 0.02 / 13.06
S8 / 7.66 / 2.02 / 10900 / 409 / 216 / 43.99 / 9.31 / 9.16 / 0.01 / 6.39
S9 / 7.79 / 2.39 / 9910 / 405 / 199 / 63.82 / 8.61 / 12.22 / 0.04 / 9.12
S10 / 7.58 / 2.51 / 10385 / 377 / 203 / 49.37 / 7.91 / 12.60 / 0.05 / 14.93
S11 / 7.81 / 1.98 / 10331 / 396 / 204 / 49.85 / 8.71 / 12.14 / 0.11 / 12.90
S12 / 7.47 / 2.77 / 10253 / 356 / 193 / 67.74 / 6.25 / 18.55 / 0.06 / 17.61
S13 / 7.56 / 2.12 / 10933 / 396 / 247 / 54.55 / 10.06 / 15.78 / 0.05 / 16.47
S14 / 7.68 / 1.70 / 10105 / 381 / 210 / 25.04 / 8.99 / 6.94 / nd / 3.87
S15 / 7.55 / 2.28 / 10793 / 409 / 226 / 56.00 / 9.28 / 17.82 / 0.48 / 12.95
S16 / 7.46 / 1.97 / 9918 / 373 / 191 / 57.80 / 8.40 / 12.19 / 0.06 / 16.50
S17 / 7.38 / 2.53 / 10893 / 401 / 229 / 48.78 / 9.60 / 10.44 / 0.05 / 9.17
S18 / 7.17 / 2.04 / 11436 / 383 / 244 / 68.50 / 10.27 / 18.65 / 0.10 / 23.75
S19 / 7.67 / 1.50 / 9020 / 401 / 169 / 32.87 / 7.32 / 5.96 / nd / 5.15
S20 / 7.39 / 2.14 / 11008 / 433 / 205 / 72.30 / 11.52 / 15.37 / 0.05 / 14.01
S21 / 7.68 / 2.17 / 9125 / 347 / 166 / 21.37 / 6.19 / 8.45 / 0.02 / 7.47
S22 / 7.40 / 2.54 / 9693 / 378 / 192 / 13.82 / 9.20 / 7.75 / nd / 5.18
S23 / 7.56 / 1.62 / 9905 / 421 / 207 / 18.17 / 9.92 / 7.49 / nd / 5.90
S24 / 7.50 / 2.73 / 11893 / 387 / 197 / 47.54 / 8.22 / 28.12 / 0.05 / 14.14
S25 / 7.41 / 2.21 / 11471 / 419 / 224 / 41.60 / 11.34 / 14.43 / 0.04 / 12.48
S26 / 7.39 / 2.41 / 9615 / 400 / 189 / 31.69 / 8.85 / 14.81 / 0.04 / 10.79
S27 / 7.61 / 2.26 / 10093 / 356 / 188 / 39.12 / 7.66 / 27.26 / 0.07 / 15.46
S28 / 7.69 / 2.11 / 12023 / 410 / 296 / 40.95 / 12.53 / 9.59 / 0.02 / 7.99
S29 / 7.40 / 2.09 / 11863 / 393 / 244 / 21.19 / 10.10 / 12.30 / nd / 7.03
S30 / 7.76 / 1.40 / 9095 / 422 / 185 / 15.09 / 7.08 / 7.02 / 0.08 / 2.46
S31 / 7.58 / 1.94 / 10020 / 382 / 205 / 126.6 / 8.89 / 11.70 / 0.09 / 14.32
S32 / 7.76 / 2.69 / 9318 / 372 / 189 / 47.54 / 6.30 / 13.46 / 0.13 / 14.97
S33 / 7.12 / 2.29 / 11688 / 356 / 213 / 36.99 / 6.83 / 16.89 / 0.06 / 15.40
S34 / 7.75 / 1.76 / 10973 / 384 / 239 / 19.84 / 8.62 / 7.07 / nd / 4.03
S35 / 7.48 / 1.76 / 10673 / 431 / 234 / 21.12 / 10.64 / 6.79 / nd / 14.22
S36 / 7.60 / 2.11 / 8620 / 311 / 163 / 57.82 / 5.55 / 13.39 / 0.03 / 19.20
S37 / 7.67 / 2.38 / 10940 / 345 / 211 / 59.69 / 8.11 / 28.02 / 0.05 / 13.63
S38 / 7.30 / 3.75 / 10480 / 336 / 153 / 58.77 / 6.69 / 33.54 / 0.10 / 16.09
S39 / 7.59 / 1.75 / 9905 / 404 / 194 / 16.17 / 8.41 / 6.85 / nd / 6.48
S40 / 7.59 / 1.95 / 10298 / 406 / 194 / 25.27 / 10.22 / 8.16 / 0.01 / 6.04
S41 / 7.68 / 1.95 / 10661 / 403 / 224 / 52.15 / 9.18 / 14.14 / 0.05 / 13.18
S42 / 7.59 / 1.68 / 9353 / 395 / 189 / 29.80 / 7.13 / 8.24 / 0.01 / 5.87
S43 / 7.62 / 2.01 / 10051 / 414 / 200 / 52.08 / 9.27 / 16.88 / 0.04 / 131.7
S44 / 7.71 / 1.16 / 10393 / 415 / 202 / 37.58 / 9.32 / 14.22 / 0.01 / 4.84
S45 / 7.65 / 1.40 / 9073 / 422 / 179 / 2.79 / 7.95 / 4.35 / nd / 1.11
S46 / 7.66 / 1.48 / 10345 / 375 / 206 / 31.72 / 8.07 / 10.15 / nd / 4.27
S47 / 7.46 / 2.04 / 9050 / 379 / 164 / 27.94 / 7.32 / 11.60 / 0.11 / 16.57
S48 / 7.33 / 1.76 / 10130 / 363 / 193 / 53.97 / 7.40 / 15.41 / 0.06 / 8.58
S49 / 7.62 / 1.74 / 10048 / 354 / 197 / 16.72 / 6.83 / 7.10 / nd / 6.20
S50 / 7.95 / 1.51 / 11996 / 391 / 251 / 28.23 / 11.58 / 9.89 / 0.01 / 6.52
S51 / 7.44 / 2.07 / 9243 / 350 / 172 / 20.27 / 7.08 / 4.83 / 0.02 / 4.52
S52 / 7.47 / 1.41 / 12473 / 402 / 293 / 40.50 / 12.50 / 9.98 / 0.01 / 7.60
S53 / 7.75 / 2.27 / 9430 / 389 / 194 / 53.69 / 7.07 / 20.26 / 0.04 / 19.90
S54 / 7.73 / 2.20 / 9636 / 290 / 198 / 45.13 / 6.75 / 11.76 / 0.06 / 10.92
S55 / 7.65 / 2.01 / 10943 / 361 / 233 / 62.72 / 7.85 / 12.46 / 0.49 / 11.53

nd: not detected.