Appendix S1. GCMS parameters for analysis of SPME and

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S

UPPORTING INFORMATION FOR

Accumulation of gas-phase methamphetamine on clothing, toy fabrics and skin oil

3 Glenn Morrison 1,* , Nishanthini Vijayakumar Shakila, Kristia Parker

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A

PPENDIX

S1.

GCMS

PARAMETERS FOR ANALYSIS OF

SPME

AND

LIQUID INJECTIONS

SPME/GC/MS

All SPME samples were analyzed immediately after collection using an Agilent gas chromatograph with mass spectrometry (GC/MS) using manual injections and the following operating conditions:

Inlet: Temperature - 260  C

Constant Pressure of 6.37psi

Split Ratio of 10:1

Carrier Gas: Helium

Column: HP-5MS (5% Phenyl Methyl Siloxane - 0.25mm x 30m x 0.25

 m)

Oven: Initial temperature 100  C with a ramp of 20  C/min to a final temperature of 280  C for a total run time of 9 minutes

Detector: MS - Transfer line at 280  C, Quad at 150  C, Source at 230  C in single ion mode

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22 The fiber was left in the injection port for 5 minutes for each sample.

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S

UBSTRATE ANALYSIS BY LIQUID EXTRACTION AND CALIBRATION

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Immediately upon being removed from the chamber the samples were placed into a 7.0mL vial and then 6.5mL of ethylacetate was added to the vial. The vial was sonicated for 20 minutes before the extract was filtered through a nylon 0.2

 m syringe filter into a separate

7.0mL vial. A 1.0mL aliquot of the extracts along with 10  L of a 1,000ppm BFB solution in ethyl acetate was transferred to a 2.0mL GC vial. Each sample was analyzed immediately after sample extraction using an Agilent GCMS with the following operating conditions:

Inlet: Injection volume – 1  L

Temperature - 250  C

Constant Pressure of 3.94psi

Split Ratio of 40:1

Carrier Gas: Helium

Column: HP-5MS (5% Phenyl Methyl Siloxane – 0.25mm x 30m x 0.25

 m)

Oven: Initial temperature of 50  C – hold for 4 minutes and then ramp at a rate of 20  C/min to a final temperature of 250  C for a total run time of

14 minutes

Detector: MS – Transfer line at 280  C, Quad at 150  C, Source at 230  C in single ion mode

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A

PPENDIX

S2.

CHARACTERISTIC TIME DISCUSSION

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We believe most of the materials are nearly at equilibrium by the end of these experimental exposures, even though it may not be obvious from the dynamic charts (Figures 2a, 2b and

S.2). The system is somewhat complex because the chamber concentration is initially lower than the inlet concentration, due to flux to the material surfaces. Over time, the chamber concentration rises as the materials approach the limit of their capacity to sorb methamphetamine. An estimate of the characteristic time to reach equilibrium is given, again, by equation 5. We estimate the deposition velocity, v t

, from the slope of Ac area,2

vs t for the first two points (at 3 and 6 days) of materials that had the highest area-normalized partition coefficients (upholstery and baby book). The deposition velocity estimate for methamphetamine deposition to fabrics in this chamber was 2.2 m h -1 . The characteristic times are shown in Table 1, with  ranging from 1.9 to 29 days. For most materials, 60 days should be sufficient to approach equilibrium under these conditions. The chamber deposition velocity is consistent with measurements in buildings for ozone (v t

of ~1-4 m h -1

; Morrison et al., 2006). Therefore, our observed dynamic accumulation is likely to be representative of how these fabrics would behave in a home contaminated with methamphetamine. An estimate of the dynamic air and surface concentrations in residences (e.g. using modeling methods of Guo, 2013) is not yet possible due to limited data on methamphetamine interactions with building materials and furnishings. An estimate of the residence time, and a post-remediation testing duration, may eventually be possible using the approach of Shin et al. (2013).

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T

ABLES

Table S1. Exposure factors used for inhalation and mouthing dose 1

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Exposure factor

A mouth

(cm 2 )

BM (kg)

BR (m 3 day -1 )

CF (  g m -3 ppb -1 at 25°C) 

C

meth

(ppb) f hand f home

K area,1

K mass

(

 g (g ppb) -1 )

 m dust

(g)

n (# day -1 ) n hand

(# day -1 )

Child

(1-2 years old)

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11.4

8

6.094

1

0.058

0.74

2

290

0.06

124 4

178 5

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1 All factors taken from USEPA, 2011 with the exception of K area,1

and K mass

which are taken from results of this research

2 see text for description of values used for different exposure routes

3 assumed to be the average of values obtained from this research from all materials (as though dust were an equal admixture of various fabrics and skin oil)

4 based on a mean of 14 contacts/hour * 24 h*f home

*1/2 of time awake

5 based on a mean of 20 contacts/hour * 24 h*f home

*1/2 of time awake

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Table S2. Physical properties of methamphetamine at

25°C

Molecular weight (g mol -1 )

Vapor pressure (mmHg)

Formula log K ow

(experimental) log K oa

(estimate) pKa

Henry’s constant, H (atm L mol -1 )

1 ACD Labs, 2013

2 EPI Suite, 2013

3 Estimated using SPARC 4.6

4 Chemaxon, 2013

149.23

0.147

1 , 1.51

2

C

10

H

15

N

2.07

2

6.084

2 , 6.48

3

10.21

4

0.00170

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F

IGURES

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91 mass flow controllers pump heated (35 º C) diffusion vial

(methamphetamine)

SPME sampler humidifier

(water)

10 L exposure chamber substrates clean air generator

Figure S1. Experimental apparatus used to expose substrate samples to methamphetamine vapor. Entire apparatus is enclosed in a temperature controlled cabinet (25 º C).

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Figure S2. Dynamic results for the accumulation of methamphetamine in skin oil.

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R

EFERENCES

ACD/Labs (2013) Methamphetamine Predicted Properties [WWW Document]. ChemSpider ,

URL http://www.chemspider.com/Chemical-Structure.1169.html (accessed 11.18.13).

Chemaxon (2013) Methamphetamine [WWW Document], ChemSpider , URL chemspider.com/Chemical-Structure.1169.html, (accessed 11.21.13).

EPISuite/USEPA (2013) Methamphetamine [WWW Document], ChemSpider . URL chemspider.com/Chemical-Structure.1169.html, (accessed 11.18.13).

Guo, Z., 2013. A framework for modelling non-steady-state concentrations of semivolatile organic compounds Indoors - I: Emissions from diffusional sources and sorption by interior surfaces. Indoor and Built Environment 22, 685–700.

Morrison, G.C., Zhao, P., Kasthuri, L., 2006. The spatial distribution of pollutant transport to indoor surfaces. Atmospheric Environment 40, 3389–3395.

Shin, H.-M., McKone, T.E., Tulve, N.S., Clifton, M.S., Bennett, D.H., 2013. Indoor residence times of semivolatile organic compounds: Model estimation and field evaluation.

Environmental Science and Technology 47, 859–867.

USEPA (2011) Exposure Factors Handbook: 2011 Edition ( No. EPA/600/R-090/052F), US

Environmental Protection Agency, Washington D.C.

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