Electronic Supplementary Material - Royal Society of Chemistry

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Response (peak area counts) x. 10. 6 g. 1 Peak area c different templ. Effect of stirring . Physicochemi. MW. 128.16. 166 ne. 178.24. 202.26. 92 y carcinogenic to.
Electronic Supplementary Material (ESI) for Analytical Methods. This journal is © The Royal Society of Chemistry 2015

Electronic Supplementary Material S- Table 1. PAHs and MIP components structures

naphthalene

fluorene

phenanthrene

pyrene

4-vinyl pyridine (4-VP)

ethylene glycol dimethacrylate (EGDMA)

toluene

2,2-dimethoxy-2phenylacetophenone (DMPA)

S-Table 2. MIP and NIP composition Pre-polymer component

MIP

NIP

toluene

4.25 µL (0.0405 mmol)

_

4-VP

17.0 µL (0.158 mmol)

17.0 µL (0.158 mmol)

EGDMA

151 µL (0.801 mmol)

151 µL (0.801 mmol)

DMPA

3.20 mg (0.0125 mmol)

3.20 mg (0.0125 mmol)

1-octanol

200 µL (1.26 mmol)

204 µL (1.28 mmol)

S-Table 3. GC-MS settings: Quantifier and qualifier ions used to identify the PAHs Quantifier (m/z)

Qualifier (m/z)

naphthalene

128

127

fluorene

165

166

phenanthrene

178

176

pyrene

202

200

octane

114

85

octanol

97

84

p- cresol

108

107

acenaphthene d10

162

158

1

3))  peak area (x 10 p (

200 150 100 50 0 toluene

naphthalene

fluorrene

phenanthrene

pyrine

Imprinting molecule used

S-Figg. 1 Peak area corresponding c too total PAH uplload from 0.1 µgg L-1 for two hoours PAHs, for M MIPs with different templates; GC-MS inn SIM mode 1.8 Response (peak area counts) x 106

1.6 1.4 1.2 1.0 0.8 0.6 0.4 0.2 0.0 static

dynamic

S-Fig. 2. Effect E of stirringg over the total P PAH uptake of the MIP over 18 h, expressed iin terms of the ddetector signal

S-Table 4.. Physicochemical properties aand carcinogenicc potency of thee PAHs studied Compound

MW

Log Kow

Water

Melting

Vapour

Carcinogennic

Cooncentration in

solubility at

point

pressure at 255

potency (IA ARC/US

produced water

25°C (mg L--1)

(°C)

°C (mPa)

EPA classiification)

µg L-1), [29] (µ

naphthalene

128.166

3.5

31.7

80.5

11960

5.33-394

fluorine

166

4.18

1.98

116.5

94.7

0.006- 21.7

phenanthrenne

178.244

4.5

1.29

101

90.7

3

0.11- 32.0

pyrene

202.266

4.9

0.135

156

91.3x10-6

3

0.001- 1.9

toluene

92

2.69

_

2.8-3.15

_

1-octanol

3-possiblyy carcinogenic too human

2

(a)

7.0

mip naphthalene

6.0

nip naphthalene

Peak area (x 106)

5.0

mip fluorene nip fluorene

4.0

R² = 0.981 R² = 0.995

3.0 2.0 R² = 0.991

1.0

R² = 0.998

0.0 0

50

100 Upload concentration, µg L‐1

150

200

7.0

(b)

6.0

mip phenanthrene

R² = 0.977

nip phenanthrene mip pyrene

Peak area (x106)

5.0

nip pyrene

R² = 0.982

4.0 3.0

R² = 0.986

2.0

R² = 0.991

1.0 0.0 0

50

100 Upload concentration, µg L‐1

150

200

S-Fig. 3. Increase in detector response with the concentration in the upload solution: (a) for naphthalene and fluorene (b) for phenanthrene and pyrene; experimental conditions of 80.0 mL sample for two hours, GC-MS in SIM mode. Bars represent standard deviation.

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