Occurrence of fluorotelomer alcohols at two Alpine summits: sources, transport and temporal trends
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1 Environ. Chem. 2017, 14, doi: /en16190_ac CSIRO 2017 Supplementry mteril Occurrence of fluorotelomer lcohols t two Alpine summits: sources, trnsport nd temporl trends Zhenln Xu, A,B,C,E Lingxingyu Li, D Bernhrd Henkelmnn B nd Krl-Werner Schrmm B,C,E A Institute of Qulity nd Stndrd of Agro-Products, Zhejing Acdemy of Agriculturl Sciences, Hngzhou , Chin. B Helmholtz Center Munich Ntionl Reserch Center for Environmentl Helth (GmbH), Moleculr EXposomics (MEX), Ingolstädter Lndstr.1, Neuherberg D85764, Germny. C Technische Universität München, Wissenschftszentrum Weihenstephn für Ernährung und Lndnutzung, Deprtment für Biowissenschften, Weihenstephner Steig 23, Freising D85350, Germny. D School of Sciences, Zhejing Sci-Tech University, Hngzhou , Chin. S1
2 Tble S1. Smpling schedule nd ir volumes (m 3, t 0 C nd KP) for ech crtridge corresponding to certin ir flow Smpling site Zugspitze Smpling period Strt End Air volume NW NE S M Sum b b b Sonnblick b b b b b b 1087 b smples were not vilble for this work due to the hrdwre filures, power outges nd computer fults. b results for these smples were excluded from the nlysis due to uncertinty in concentrtions of nlytes resulted from the potentil brekthrough. S2
3 Tble S2. Tempertures nd frequencies of the ir flow regimes NW, NE, S, nd M s % of the totl smpling period t two summit sttions n/, not vilble Periods % of the totl smpling period Temperture ( C) Wind speeds (m/s) Strt End Totl NW NE S M Medin (min-mx) Medin (min-mx) Zugspitze ( ) 2.3 ( ) ( ) 1.9 ( ) ( ) 2.3 ( ) ( ) 2.1 ( ) ( ) 2.8 ( ) ( ) 2.6 ( ) ( ) 1.7( ) Sonnblick ( ) n/ ( ) n/ ( ) n/ ( ) n/ ( ) n/ ( ) n/ ( ) n/ ( ) n/ ( ) n/ ( ) n/ S3
4 Tble S3. m/z monitored for FTOHs in SIM mode Compound m/z (quntifier) m/z (qulifier) 6:2 FTOH :2 FTOH :2 FTOH mss-lbeled 6:2 FTOH mss-lbeled 8:2 FTOH mss-lbeled 10:2 FTOH 569-9:2 FA S4
5 Tble S4. FTOH concentrtions (pg/m 3 ) observed in the procedure blnks nd field blnks Field blnk (n = 17) Procedure blnk (n = 11) The The Compounds Detection mximum % Detection mximum % Averge Mx Averge Mx rte (%) of blnk in rte (%) of blnk in smples smples 6:2 FTOH :2 FTOH :2 FTOH S5
6 Tble S5. Vpor pressure over the subcooled liquid (log P L), log K OA nd brekthrough of PAHs nd OCPs Notes: ctive ir smples were collected using the sme smpler s described in this study in July to November, 2015 t Zugspitze. The three smples corresponded to crtridges collecting ir msses of NE, S nd M. The mster nd bckup crtridges were extrcted seprtely s described in this study, nd the clen-up nd instrumentl nlysis of PAHs nd OCPs ws the sme s Kirchner et l. (2016) [6] nd Levy et l. (2017) [7] Compounds Concentrtions mesured in the bck-up crtridge log P L log K OA t different smpling volumes (m 3 ) (25 C, P) :2 FTOH 1.26 b 5.26 d / / / 8:2 FTOH 0.60 b 5.56 d / / / 10:2 FTOH b 5.72 c / / / Nphthlene 1.60 e 5.19 e 126 (5310) f 52.8 (7141) f 80.1 (909) f cenphthylene n.d. n.d. n.d. cenphthene n.d. n.d. n.d. Fluorine n.d. n.d. n.d. phennthrene n.d. n.d. n.d. Anthrcene n.d. n.d. n.d. Fluornthene n.d. n.d. n.d. Pyrene n.d. n.d. n.d. benzo(α)nthrcene n.d. n.d. n.d. Chrysene n.d. n.d. n.d. benzo(β)fluornthene n.d. n.d. n.d. benzo(k)fluornthene n.d. n.d. n.d. benzo()pyrene n.d. n.d. n.d. indeno(1,2,3-cd)pyrene n.d. n.d. n.d. benzo(g,h,i)perylene n.d. n.d. n.d. Dibenz(,h)nthrcene n.d. n.d. n.d. α-hch e 7.61 e n.d. n.d. n.d. β-hch e 8.88 e n.d. n.d. n.d. γ-hch e 7.85 e n.d. n.d. n.d. δ-hch e 8.84 e n.d. n.d. n.d. ε-hch e 8.84 e n.d. n.d. n.d. Pentchlorobenzene e 6.49 e n.d. n.d. n.d. Hexchlorobenzene e 7.38 e n.d. n.d. n.d. Pentchloronisole e 7.99 e n.d. n.d. n.d. Octchlorostyrene e 9.49 e n.d. n.d. n.d. 4,4'-DDT e 9.82 e n.d. n.d. n.d. 2,4'-DDT e 9.45 e n.d. n.d. n.d. 4,4'-DDD e 10.1 e n.d. n.d. n.d. 2,4'-DDD e 9.35 e n.d. n.d. n.d. S6
7 4,4'-DDE e 9.68 e n.d. n.d. n.d. 2,4'-DDE e 9.12 e n.d. n.d. n.d. trns-chlordne e 8.87 e n.d. n.d. n.d. cis-chlordne e 8.92 e n.d. n.d. n.d. oxy-chlordne e 8.39 e n.d. n.d. n.d. Heptchlor e 7.64 e n.d. n.d. n.d. cis-heptchloroepoxide e 10.3 e n.d. n.d. n.d. trns-heptchloroepoxide e 10.3 e n.d. n.d. n.d. Aldrin e 8.08 e n.d. n.d. n.d. Dieldrin e 8.90 e n.d. n.d. n.d. Endrin e 8.90 e n.d. n.d. n.d. Endosulfn-I e 8.64 e n.d. n.d. n.d. Endosulfn-II e 8.64 e n.d. n.d. n.d. Endusulfn sulfte e 10.1 e n.d. n.d. n.d. Methoxychlor e 10.2 e n.d. n.d. n.d. Mirex e 8.37 e n.d. n.d. n.d. Obtined from Odbsi et l (2006) [1]. b Obtined from Krusic et l. (2015) [2]. c Obtined from Thuens et l. (2008) [3]. d Obtined from Goss et l. (2006) [4]. e Obtined from the Estimtion Progrm Interfce (EPI) Suite V4.1 [5]. f The compound concentrtion mesured in the mster crtridge ws presented in brckets when it ws detected in the bck-up crtridge. S7
8 Fig. S1. The digrm of the ctive ir smpler. S8
9 Fig. S2. FTOH concentrtions in ir msses from NE, NW, S nd M over the entire smpling periods t Zugspitze. A) 6:2 FTOH, B) 8:2 FTOH, nd C) 10:2 FTOH. Note: course ws interrupted where the dt ws not vilble. S9
10 Fig. S3. FTOH concentrtions in ir msses from NE, NW, S nd M over the entire smpling period t Sonnblick. A) 6:2 FTOH, B) 8:2 FTOH, nd C) 10:2 FTOH. Note: course ws interrupted where the dt ws not vilble. S10
11 References [1] M. Odbsi, E. Cetin, A. Sofuoglu, Determintion of octnol-ir prtition coefficients nd supercooled liquid vpor pressures of PAH s function of temperture: Appliction to gs-prticle prtitioning in n urbn tmosphere. Atmos. Environ. 2006, 40, [2] P. J. Krusic, A. A. Mrchione, F. Dvidson, M. A. Kiser, C. -P. C. Ko, R. E. Richrdson, M. Botelho, R. L. Wterlnd, R. C. Buck, Vpor pressure nd intrmoleculr hydrogen bonding in fluorotelomer lcohols. J. Phys. Chem. A 2015, 109, [3] S. Thuens, A. Dreyer, R. Sturm, C. Temme, R. Ebinghus, Determintion of the octnol-ir prtition coefficient (K OA) of fluorotelomer lcohols. J. Chem. Eng. Dt 2008, 53, 223. [4] K. -A. Goss, G. Bronner, T. Hrner, M. Hertel, T. C. Schmidt, The prtition behvior of fluorotelomer lcohols nd olefins. Environ. Sci. Technol. 2006, 40, [5] Estimtion Progrm Interfce (EPI) Suite TM Suite Version [6] M. Kirchner, G. Jkobi, W. Körner, W. Levy, W. Moche, B. Niedermoser, M. Schub, L. Ries, P. Weiss, F. Antritter, N. Fischer, B. Henkelmnn, K. -W. Schrmm, Ambient ir levels of orgnochlorine pesticides t three high Alpine monitoring sttions: trends nd dependencies on geogrphicl origin. Aerosol Air Qul. Res.2016, 16, 738. [7] W. Levy, M. Pndelov, B. Henkelmnn, S. Bernhöft, N. Fischer, F. Antritter, K. -W. Schrmm, Persistent orgnic pollutnts in shllow percolted wter of the Alps Kst system (Zugspitze summit, Germny). Sci. Totl. Environ. 2017, 579, S11
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