Chengshuai Liu Kaimin Shih Yuanxue Gao Fangbai Li Lan Wei
electronic supplementary material
soils, sec 4 • ecotoxicology • research article
Dechlorinating transformation of propachlor through nucleophilic substitution by dithionite on the surface of alumina
Chengshuai Liu • Kaimin Shih • Yuanxue Gao • Fangbai Li • Lan Wei
Received: 7 January 2012 / Accepted: 14 March 2012
Springer-Verlag 2012
Responsible editor: Jay Gan
C.S. Liu • Y.X. Gao • F.B. Li () • L. Wei
Guangdong Key Laboratory of Agricultural Environment Pollution Integrated Control, Guangdong Institute of Eco-Environmental and Soil Sciences, Guangzhou 510650, P. R. China
e-mail:
C.S. Liu • K. Shih ()
Department of Civil Engineering, The University of Hong Kong, Pokfulam Road, Hong Kong, P. R. China
e-mail:
() Corresponding authors:
Fangbai Li
e-mail:
and
Kaimin Shih
Tel. +852-2859-1973
Fax. +852-2559-5337
e-mail:
Online Resource 1
The X-ray Diffraction (XRD) patterns (Fig. S1) of the three alumina materials were collected using a Bruker D8 diffractometer (Bruker Co., Ltd.) equipped with Cu X-ray tube operated at 40kV and 40mA. Scans were collected from 10° to 90° 2θ-angle, with a step size of 0.02° and a counting time of 1s/step. Phase identification was executed by matching XRD patterns with powder diffraction files (PDF) in the database published by International Centre for Diffraction Data (ICDD).
Fig. S1The XRD patterns of Pural SB powder (γ-AlOOH, boehmite;PDF#74-1895); Boemite powder heated at 650°C for 3 h (γ-Al2O3; Reference #17); and the boehmite powder further heated at 1500°C for 6 h (α-Al2O3, corundum; PDF#10-0173)
Online Resource 2
Fig.S2 FTIR spectra of the alumina samples in wavenumber from 1500 to 1100 cm-1: (a) γ-AlOOH, (b) γ-Al2O3, and (c) α-Al2O3. The curves in each figure include the FTIR spectra of alumina samples: before any potential reactions (a1, b1, and c1), after contacting with propachlor for 10 h (a2, b2, and c2), and after participating in the reaction of propachlor and dithionite for 10 h (a3, b3, and c3)
Online Resource 3
Propachlor transformation products were analyzed by liquid chromatography/mass spectrometry (LC/MS) using a Shimadazu HPLC system with a Kromasil C18 column (250mm×4.6mm I.D.), SIL-HT autosampler, LC-10 AT vacuum pump, and API 3000 mass analyzer as reported in aprevious study(Liu et al. 2011). HPLC separation was performed at 0.5 mL/min with amobile phase of 85:15 water/acetonitrile ratio for 1.0 min, a 50:50 ratio for 2 min, with a linear change to the 10:90 ratio over 10 min and then held for 6 min, followed by re-equilibration at the initial condition (85:15 water/acetonitrile ratio) for 8.5 min. An electrospray interface (ESI) was used for the MS measurements in positive MS scan mode and full scan acquisition between m/z 50 and 550. The other parameters were set as follows: the ESI was 4.0kV, source block temperature was 80C, and the desolvation temperature was 400C. The flow rate of the desolvation gas (N2) was set at 400L/h, and argon was used as a cone gas at 50 L/h.
Fig. S3 Total ion chromatograms in positive mode and the product spectra of propachlor (10 mg/L) dechlorination by 5 mM dithionite and 2.0 g/L γ-Al2O3 for 10 h at pH 7.0 and 25°C
Online Resource 4
Fig. S4 Total ion chromatograms in positive mode and product spectra of propachlor (100 µM) transformation initiated by 10 mM dithionite for 10 h at pH 7.0 and T = 303 K.(Liu et al. 2011)
References
Liu CS, Shih K, Wei L, Wang F, Li FB (2011) Kinetics and mechanism of propachlor reductive transformation through nucleophilic substitution by dithionite. Chemosphere 85:1438-1443
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