Organochlorine Pesticides and Their Metabolites in Human Breast Milk from Shanghai, China

Organochlorine pesticides and their metabolites in human breast milk from Shanghai, China

Dasheng Lua, b†, Dongli Wangc†, Rong Nid, Yuanjie Linb, Chao Fengb, Qian Xub, Xiaodong Jiab, Guoquan Wang*b, Zhijun Zhou*a

aSchool of Public Health/ MOE Key Lab for Public Health, Fudan University, Shanghai 200032, China.

b Shanghai Municipal Center for Disease Control and Prevention, 1380 Zhongshan West Road, Shanghai 200336, China.

c California Department of Public Health, Richmond, CA 94804, USA.

d Xuhui District Center for Disease Control and Prevention, Shanghai 200237, China.

† These authors contributed equally to this work.

* Corresponding author. Tel.: +862162758710 (G. Wang);+862154237675(Z. Zhou).E-mail address: (G. Wang); (Z. Zhou).

Table S1. GC-MS/MS parameters.

RT channels (min) / Analytes / Precursor ions (m/z) / Product ions (m/z) / Dwell time (ms) / Collision energy
(ev)
15.00 / 13C-HCB
HCB
13C–HCH
HCH / 290
290
284
284
225
223
219
217 / 255
220
249
214
189
187
183
181 / 36
36
36
36
36
36
36
36 / 20
35
20
35
5
5
5
5
17.25 / Endosulfan ether
p,p’-DDM
13C -HCH
HCH / 307
241
236
236
225
223
219
217 / 69
260
201
166
189
187
183
181 / 37
37
37
37
37
37
37
37 / 16
16
12
25
5
5
5
5
18.3 / 13C-Heptachlor
Heptachlor / 282
280
274
272 / 247
245
239
237 / 70
70
70
70 / 16
16
16
16
18.80 / 13C-Aldrin
Aldrin
p,p’-DBP / 270
267
263
255
250
139 / 198
232
193
220
139
111 / 50
50
50
50
50
50 / 35
16
35
16
20
16
20.00 / 13C-Oxychlordane
Oxychlordane
13C-Heptachlor epoxide
Heptachlor epoxide
Endosulfan lactone / 399
397
387
185
363
261
289
253
321
321 / 272
270
263
149
292
226
219
218
263
206 / 30
30
30
30
30
30
30
30
30
30 / 16
16
16
16
25
25
25
25
25
25
20.60 / Chlordane
13C-Chlordane
p,p’-DDMU
Endosulfan I / 383
383
373
373
282
282
267
241 / 266
264
273
271
246.9
212
196
206 / 30
30
30
30
30
30
30
30 / 20
20
20
20
12
25
25
16
21.50 / 13C-DDE
p,p’-DDE
13C-Dieldrin
Dieldrin
p,p’-DDOH / 330
258
318
246
287
274
277
263
235
235 / 251
188
248
176
251
204
241
193
199.
165 / 30
30
30
30
30
30
30
30
30
30 / 30
30
30
30
10
35
10
35
20
20
22.20 / 13C-Endrin
Endrin
Endosulfan II
13C-p,p’-DDD/
13C-o,p’-DDT
p,p’-DDD/o,p’-DDT / 290
274
279
263
267
241
249
247
237
235 / 254
204
243
193
196
206
177
177
165
165 / 30
30
30
30
30
30
30
30
30
30 / 12
35
12
35
12
16
25
20
25
20
23.30 / 13C-p,p’-DDT
p,p’-DDT
Endosulfan sulfate
Methoxychlor
PCB-198 / 249
247
237
235
387
239
227
227
430
428 / 177
177
165
165
289
204
169
141
358
358 / 30
30
30
30
30
30
30
30
30
30 / 20
25
20
25
5
20
25
35
30
30

Table S2. Model distributions and inputs for OCPs exposure assessment.

Description / Distribution / Parameter
Contaminant concentration (Ci, ng/g) / α-HCH / Lognormal / Mean=0.01658, Std. Dev.=0.01791, Location=-0.00126
β-HCH / Lognormal / Mean=0.51209, Std. Dev.=0.77779, Location=-0.04664
δ-HCH / Gamma / Location=0, Scale=0.07303, Shape=0.21886
∑HCH / Lognormal / Mean=0.9894, Std. Dev.=1.5767, Location=-0.00423
HCB / Lognormal / Mean=1.06506, Std. Dev.=1.37135, Location=-0.02468
o,p'-DDT / Maximum extreme / Likeliest=0.04806, Scale=0.05982
p,p'-DDT / Lognormal / Mean=0.26802, Std. Dev.=0.25596, Location=-0.01408
p,p'-DDE / Lognormal / Mean=7.19518, Std. Dev.=7.11226, Location=0.24408
p,p'-DDD / Lognormal / Mean=0.07036, Std. Dev.=0.11074, Location=-0.00604
p,p'-DDMU / Lognormal / Mean=0.01134, Std. Dev.=0.00561, Location=0
p,p'-DDOH / Lognormal / Mean=0.02707, Std. Dev.=0.0444, Location=-0.00049
p,p'-DDM / Lognormal / Mean=0.01277, Std. Dev.=0.01157, Location=0.00081
p,p'-DBP / Lognormal / Mean=0.04754, Std. Dev.=0.05054, Location=-0.0015
∑DDT / Lognormal / Mean=7.74577, Std. Dev.=7.24035, Location=0.53724
Endosulfan-I / Lognormal / Mean=0.02041, Std. Dev.=0.0308, Location=-0.00031
Endosulfan-II / Lognormal / Mean=0.01019, Std. Dev.=0.01124, Location=-0.0004
Endosulfan sulfate / Lognormal / Mean=0.01548, Std. Dev.=0.01824, Location=-0.00029
Endosulfan lactone / Lognormal / Mean=0.01069, Std. Dev.=0.01409, Location=-0.00037
Endosulfan ester / Lognormal / Mean=0.00513, Std. Dev.=0.00368, Location=0.00165
∑Endosulfan / Lognormal / Mean=0.07429, Std. Dev.=0.14984, Location=0.01825
Aldrin / Lognormal / Mean=0.01499, Std. Dev.=0.04224, Location=-0.00012
Dieldrin / Lognormal / Mean=0.02254, Std. Dev.=0.05166, Location=-0.00063
Endrin / Lognormal / Mean=0.01344, Std. Dev.=0.02064, Location=-0.00054
∑Drins / Lognormal / Mean=0.0509, Std. Dev.=0.09116, Location=0
Heptachlor / Lognormal / Mean=0.01455, Std. Dev.=0.04246, Location=-0.00024
Heptachlor expoxide / Lognormal / Mean=0.01344, Std. Dev.=0.02796, Location=-0.00017
∑Heptachlor / Lognormal / Mean=0.02758, Std. Dev.=0.05157, Location=0
cis-Chlordane / Lognormal / Mean=0.00915, Std. Dev.=0.0173, Location=-0.00012
trans-Chlordane / Lognormal / Mean=0.01904, Std. Dev.=0.0718, Location=0
Oxychlordane / Lognormal / Mean=0.05971, Std. Dev.=0.09891, Location=-0.00298
∑Chlordane / Lognormal / Mean=0.08921, Std. Dev.=0.133, Location=-0.00129
Methoxychlor / Lognormal / Mean=0.01397, Std. Dev.=0.0368, Location=-0.00009
∑OCPs / Lognormal / Mean=10.12777, Std. Dev.=7.76759, Location=0
Daily breast milk consumption (V, g/d) / Normal / Mean=776.60, td. Dev.=141.50
Neonate body weight (W, Kg) / Normal / 50th centile: 3.32/3.21(Male/Female), 97th centile: 4.14/4.04 (Male/Female)

Table S3.Percentage distribution of OCPs and their metabolites in ∑OCPs.

Analytes / Mean
Percentage (%) / Standard deviation (%) / min (%) / max (%)
α-HCH / 0.24 / 0.56 / 0.0 / 6.2
β-HCH / 5.3 / 4.2 / 0.0 / 18
ϒ-HCH / 4.2 / 5.9 / 0.0 / 24
δ-HCH / 0.22 / 0.84 / 0.0 / 8.7
∑HCH / 10.0 / 8.0 / 0.25 / 38
HCB / 12.1 / 12.7 / 0.0 / 80
o,p'-DDT / 0.99 / 1.0 / 0.0 / 4.8
p,p'-DDT / 3.1 / 2.9 / 0.0 / 19
p,p'-DDE / 67.8 / 17 / 16 / 94
p,p'-DDD / 0.75 / 0.80 / 0.0 / 4.5
p,p'-DDMU / 0.15 / 0.11 / 0.017 / 0.80
p,p'-DDOH / 0.50 / 1.7 / 0.0 / 18
p,p'-DDM / 0.19 / 0.25 / 0.015 / 1.7
p,p'-DBP / 0.69 / 1.1 / 0.0 / 11
∑DDT / 74 / 15 / 17 / 95
Endosulfan-I / 0.29 / 0.50 / 0.0 / 4.8
Endosulfan-II / 0.15 / 0.22 / 0.0 / 1.8
Endosulfan sulfate / 0.36 / 1.6 / 0.0 / 14
Endosulfan lactone / 0.18 / 0.40 / 0.0 / 3.1
Endosulfan ester / 0.08 / 0.11 / 0.010 / 0.93
∑Endosulfan / 1.1 / 1.9 / 0.075 / 14
Aldrin / 0.23 / 0.55 / 0.0 / 4.2
Dieldrin / 0.29 / 0.58 / 0.0 / 4.8
Endrin / 0.20 / 0.35 / 0.0 / 2.3
∑Drins / 0.72 / 1.2 / 0.0 / 6.7
Heptachlor / 0.19 / 0.46 / 0.0 / 4.0
Heptachlor expoxide / 0.16 / 0.26 / 0.0 / 1.7
∑Heptachlor / 0.35 / 0.60 / 0.006 / 4.0
cis-Chlordane / 0.14 / 0.34 / 0.0 / 3.3
trans-Chlordane / 0.27 / 0.66 / 0.0 / 4.0
Oxychlordane / 0.91 / 2.1 / 0.0 / 16
∑Chlordane / 1.3 / 2.6 / 0.0 / 19
Methoxychlor / 0.25 / 0.76 / 0.0 / 7.6

Table S4. Levels (ng/g, lipid) of OCPs among three BMI categories.

Analytes / underweight
(BMI:16-18.49; n=26) / normal weight (BMI:18.59-22.86;n=89) / overweight
(BMI: 23.15-27.06; n=27)
mean / sd / mean / sd / mean / sd
α-HCH / 0.84 / 1.1 / 1.0 / 3.3 / 0.96 / 2.8
β-HCH / 18.2 / 19 / 19.4 / 27.5 / 26.5 / 22.4
ϒ-HCH / 17.7 / 35 / 18 / 42.4 / 24.8 / 37.6
δ-HCH / 0.50 / 0.75 / 0.7 / 2.3 / 1.1 / 3.4
∑HCH / 37.3 / 50 / 39 / 66 / 53.5 / 51.4
HCB / 45.1 / 53 / 58.4 / 143.5 / 25.9 / 21.5
o,p'-DDT / 4.2 / 3.8 / 3.9 / 6.8 / 4.8 / 11.1
p,p'-DDT / 10.7 / 7.2 / 13.2 / 23.9 / 9.2 / 8.8
p,p'-DDE / 320 / 321 / 271 / 230 / 335 / 316
p,p'-DDD / 3.4 / 3.7 / 2.8 / 4.5 / 3.5 / 7.2
p,p'-DDMU / 0.50 / 0.28 / 0.49 / 0.39 / 0.55 / 0.48
p,p'-DDOH / 2.2 / 4.8 / 1.2 / 2.5 / 2.0 / 5.7
p,p'-DDM / 0.84 / 1.2 / 0.71 / 1.3 / 1.3 / 4.6
p,p'-DBP / 2.3 / 2.2 / 2.3 / 3.5 / 3.0 / 10.1
∑DDT / 344 / 325 / 295 / 242 / 360 / 344
Endosulfan-I / 0.81 / 0.86 / 1.5 / 3.8 / 1.0 / 3.0
Endosulfan-II / 0.38 / 0.35 / 0.68 / 1.4 / 0.56 / 1.6
Endosulfan sulfate / 0.53 / 0.39 / 1.8 / 9.0 / 0.63 / 1.5
Endosulfan lactone / 0.93 / 2.5 / 0.83 / 2.6 / 0.59 / 1.8
Endosulfan ester / 0.35 / 0.72 / 0.26 / 0.42 / 0.63 / 2.4
∑Endosulfan / 3.0 / 3.8 / 5.1 / 11.3 / 3.4 / 10.2
Aldrin / 0.67 / 1.4 / 1.2 / 2.7 / 0.35 / 0.88
Dieldrin / 0.81 / 1.1 / 1.2 / 2.4 / 0.65 / 1.6
Endrin / 0.76 / 1.3 / 0.9 / 2.2 / 0.65 / 1.5
∑Drins / 2.3 / 3.1 / 3.3 / 6.5 / 1.7 / 3.9
Heptachlor / 0.59 / 1.1 / 0.67 / 1.7 / 1.2 / 4.9
Heptachlor epoxide / 0.72 / 0.91 / 0.57 / 1.1 / 0.91 / 3.2
∑Heptachlor / 1.3 / 1.9 / 1.2 / 2.6 / 2.1 / 8.1
cis-Chlordane / 0.62 / 1.0 / 0.55 / 1.3 / 0.29 / 0.73
trans-Chlordane / 1.3 / 2.8 / 1.2 / 2.7 / 0.3 / 0.67
Oxychlordane / 2.7 / 6.6 / 4.7 / 16.4 / 3.3 / 8.0
∑Chlordane / 4.6 / 9.1 / 6.4 / 18.8 / 3.9 / 9.4
Methoxychlor / 1.6 / 4.7 / 0.71 / 1.5 / 0.72 / 2.7
∑OCPs / 439 / 354 / 409 / 344 / 451 / 411

Table S5. The TDIs (µg/kg bw/day) established/proposed by FAO/WHO, Canada and China

Analytes / TDI (FAO/WHO) / TDI (Canada) / TDI (China) / Analytes / TDI (FAO/WHO) / TDI (Canada) / TDI (China)
Lindane (ϒ-HCH) / 5.0 (2002) / NA / 5 (2012) / Aldrin / 0.1 (1994) / NA / 0.1 (2012)
∑HCH / NA / 0.3 (1996) / 5 (2012) / Dieldrin / NA / NA / 0.1 (2012)
HCB / NA / 0.27 (1996) / NA / Endrin / 0.2 (1994) / NA / 0.2 (2012)
∑DDT / 10.0 (2000) / 20.0 (1996) / 10 (2012) / ∑Heptachlor / 0.1 (1994) / 0.1 (1996) / 0.1 (2012)
∑Endosulfan / NA / NA / 6 (2012) / ∑Chlordane / 0.5 (1994) / 0.05 (1996) / 0.5 (2012)

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