Int J Life Cycle Assess (2008) 13:###–###
DOI 10.1007/s11367
Pesticide ecotoxicological effect factors and their uncertainties for freshwater ecosystems
Rosalie van Zelm • Mark A. J. Huijbregts • Leo Posthuma • Arjen Wintersen • Dik van de Meent
Received: 6 June 2008 / Accepted: 25 September 2008 / Published online: ## ## 2008
© Springer-Verlag 2008
Responsible editor: Michael Z. Hauschild
R. van Zelm (*) • M. A. J. Huijbregts • D. van de Meent
Department of Environmental Science,
Institute for Water and Wetland Research,
Radboud University Nijmegen,
P.O. Box 9010,
NL-6500 GL, Nijmegen, The Netherlands
L. Posthuma • A. Wintersen • D. van de Meent
Laboratory of Ecological Risk Assessment,
National Institute of Public Health and the Environment,
P.O. Box 1,
NL- 3720 BA, Bilthoven, The Netherlands
SUPPORTING INFORMATION
1 Effect factor calculations
The ecotoxicological effect factor for pesticide x, (∂msPAF/∂Cx) was defined as follows:
(A1)
The first partial derivative, ∂msPAF/∂PAFj, is equal to:
(A2)
Starting from concentration addition for chemicals with the same TMoA j (De Zwart and Posthuma 2005, Könemann and Pieters 1996) and a lognormal Toxic Unit (TU)-response function, PAFj is defined as:
(A3)
where sj is the TMoA-specific spread in species sensitivity and TUj is defined as follows:
(A4)
where mx is the average sensitivity of species to pesticide x (g/l).
The second part of the ecotoxicological effect factor, ∂PAFj/∂TUj, is now defined by:
(A5)
Finally, the chemical-specific toxic potency, ∂TUj/∂Cx is derived through:
(A6)
Combining the three partial derivatives, the ecotoxicological effect factor of a pesticide emitted to freshwater can now be summarized by:
(A7)
2 Uncertainty distributions
Uncertainty in average species sensitivity mx was determined by describing uncertainty in the estimated mean of a sample from a normal distribution when true variance is unknown (Cullen and Frey 1999):
(A8)
where TOXx,s refers to the toxic value (i.e. EC50) for pesticide x and species s, ns is the total number of chemicals for which log transformed toxicity data were available for that specific TMoA and t[n-1] is the standard Student’s t distribution with n-1 degrees of freedom.
Following Van Zelm et al. (2007), the uncertainty distribution of sj is described by:
(A9)
where sx is the chemical-specific spread in species sensitivity, and the standard deviation in the standard deviation of each chemical that belongs to a certain TMoA.
In the uncertainty of sj, uncertainty of sx has to be accounted for as well. This uncertainty is described with a c distribution (Roelofs et al. 2003):
(A10)
where sTOX,x is the standard deviation of the toxicity data derived for that specific chemical and c2n-1 represents a standard c2 distribution with n-1 degrees of freedom.
3 TMoA-specific part of the effect factor
Table A1 Median values for Toxic Unit (TUj), TMoA-specific spread in species sensitivity (sj), Potentially Affected Fraction of species (PAFj), and Toxic Mode of Action specific effect factor (∂msPAF/∂TUj) and their 90% confidence intervals, represented by the 5th and 95th percentile of the uncertainty distribution
TMoA / N / TUj / sj / PAFj / ∂msPAF/ ∂TUjDTC / 5 / 1.3×10–1 (8.0×10–2–2.1×10–1) / 0.8 (0.6–1.1) / 1.4×10–1 (6.5×10–2–2.3×10–1) / 8.0×10–1 (5.6×10–1–1.1)
IAC / 11 / 2.4×10–3 (1.4×10–3–5.2×10–3) / 0.9 (0.6–1.2) / 1.1×10–3 (1.1×10–5–1.6×10–2) / 1.1 (3.1×10–1–2.5)
IAO / 9 / 1.6×10–2 (9.8×10–3–2.7×10–2) / 0.9 (0.7–1.1) / 2.3×10–2 (6.1×10–3–6.1×10–2) / 1.5 (9.9×10–1–2.0)
IAS / 1 / 3.0×10–3 (1.7×10–3–5.4×10–3) / 0.7 (0.3–1.5) / 9.3×10–5 (2.2×10–16–4.4×10–2) / 5.4×10–1 (4.4×10–3–3.3)
ICD / 5 / 8.0×10–4 (1.7×10–4–5.3×10–3) / 0.6 (0.3–1.2) / 1.7×10–7 (0–1.3×10–2) / 9.2×10–2 (1.6×10–5–2.3)
IES / 12 / 7.0×10–3 (5.0×10–3–1.1×10–2) / 0.4 (0.3–0.6) / 9.7×10–8 (8.9×10–16–3.6×10–4) / 1.6×10–1 (1.2×10–2–7.7×10–1)
IP / 15 / 7.5×10–2 (3.3×10–2–2.4×10–1) / 0.8 (0.6–1.1) / 8.8×10–2 (2.3×10–2–2.3×10–1) / 9.9×10–1 (6.1×10–1–1.4)
NP / 4 / 1.1×10–2 (2.6×10–3–5.8×10–2) / 0.9 (0.7–1.2) / 2.0×10–2 (1.2×10–3–1.1×10–1) / 1.5 (8.4×10–1–2.4)
PGI / 5 / 2.7×10–3 (1.4×10–3–8.8×10–3) / 0.5 (0.3–0.8) / 8.3×10–8 (0.0–2.0×10–3) / 1.1×10–1 (1.5×10–3–1.1)
PGR / 15 / 4.9×10–2 (3.5×10–3–1.0) / 0.5 (0.4–0.8) / 9.2×10–3 (2.5×10–7–5.0×10–1) / 7.8×10–1 (1.4×10–1–1.3)
SF / 5 / 4.4×10–4 (2.7×10–4–1.2×10–3) / 0.4 (0.2–0.8) / 0 (0–1.8×10–5) / 6.1×10–4 (6.8×10–10–3.6×10–1)
ALL / 87 / Weighted average
1.1 (3.3×10–3–2.0)
TMoA—Toxic Mode of Action; DTC—DiThioCarbamates; IAC—Inhibition of Acetylcholinesterase: Carbamates; IAO—Inhibition of Acetylcholinesterase: Organophosphates; IAS—Inhibitor of Amino acid Synthesis; ICD—Inhibitor of Cell Division; IES—Inhibitor of Ergosterol Synthesis; IP—Inhibitor of Photosynthesis; NP—Neurotoxicant: Pyrethroids; PGI—Plant Growth Inhibitor; PGR—Plant Growth Regulator; SF—Systemic Fungicide; N—number of pesticides included in the calculations
Table A2 Spread in uncertainty of the TMoA-specific part of the effect factor (∂msPAF/∂TUj), represented by the 95th percentile divided by the 5th percentile of the uncertainty distribution, and average contribution to uncertainty (%) in ∂msPAF/∂TUj caused by (i) TMoA-specific spread in species sensitivity (sj); (ii) average species sensitivity (mx); (iii) concentration (Cx); and (iv) multi-substance Potentially Affected Fraction of species (msPAF)
# / TMoA / 95pc/5pc (∂msPAF/ ∂TUj) / sj (%) / Sµx (%) / SCx (%) / msPAF (%)1. / DTC / 2.0 / 7 / 28 / 1 / 64
2. / IAO / 2.1 / 20 / 4 / 1 / 76
3. / IP / 2.4 / 0 / 38 / 1 / 61
4. / NP / 2.9 / 42 / 5 / 4 / 49
5. / IAC / 8.3 / 87 / 3 / 1 / 9
6. / PGR / 9.1 / 32 / 29 / 2 / 38
7. / IES / 6.6×101 / 90 / 5 / 2 / 3
8. / PGI / 7.0×102 / 89 / 9 / 1 / 1
9. / IAS / 7.5×102 / 96 / 3 / 1 / 1
10. / ICD / 1.5×105 / 87 / 3 / 9 / 0
11. / SF / 5.2×108 / 95 / 3 / 2 / 0
TMoA—Toxic Mode of Action; DTC—DiThioCarbamates; IAO—Inhibition of Acetylcholinesterase: Organophosphates; IP—Inhibitor of Photosynthesis; NP—Neurotoxicant: IAC—Inhibition of Acetylcholinesterase: Carbamates; PGR—Plant Growth Regulator; IES—Inhibitor of Ergosterol Synthesis; PGI—Plant Growth Inhibitor; IAS—Inhibitor of Amino acid Synthesis; ICD—Inhibitor of Cell Division; Pyrethroids; SF—Systemic Fungicide
4 Ecotoxicity data and (chemical-specific) ecotoxicological effect factors
Table A3. Ecotoxicity data and (chemical-specific) ecotoxicological effect factors
Table A3
References
Cullen AC, Frey HC (1999) The use of probabilistic techniques in exposure assessment: a handbook for dealing with variability and uncertainty in models and inputs. Plenum, New York, NY, USA
De Zwart D, Posthuma L (2005) Complex mixture toxicity for single and multiple species: proposed methodologies. Environ Toxicol Chem 24:2665–2676
Könemann WH, Pieters MN (1996) Confusion of concepts in mixture toxicology. Food Chem Toxicol 34:1025–1031
Roelofs W, Huijbregts MAJ, Jager T, Ragas AMJ (2003) Prediction of ecological no-effect concentrations for initial risk assessment: combining substance-specific data and database information. Environ Toxicol Chem 22:1387–1393
Van Zelm R, Huijbregts MAJ, Harbers JV, Wintersen A, Struijs J, Posthuma L, Van de Meent D (2007) Uncertainty in msPAF-based ecotoxicological effect factors for freshwater ecosystems in life cycle impact assessment. Integr Environ Assess Manage 3–203–210
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Int J Life Cycle Assess (2008) 13:###–###
DOI 10.1007/s11367
/ Number of toxicity tests / ∂TU/∂C (l/g) / ∂msPAF/∂C (l/g) /# / Cas no. / Name / TMoA / μx (g/l) / σx / nx total / Bacteria/
Archaea/
Protista / Plantae/
Fungi / Inverte-brata / Vertebrata-Ectotherm / Median / 5th perc / 95th perc / Median / 5th perc / 95th perc /
1 / 33813-20-6 / 5,6-dihydro-3H-imidazo[2,1-c]-1,2,4-dithiazole-3-thione / DTC / –3.22 / 0.75 / 14 / 0 / 1 / 7 / 6 / 1,7E+03 / 7,4E+02 / 3,8E+03 / 1,3E+03 / 5,5E+02 / 3,3E+03
2 / 31512-74-0 / Cefazoline sodium / DTC / –3.25 / 0.66 / 9 / 0 / 0 / 4 / 5 / 1,8E+03 / 7,1E+02 / 4,6E+03 / 1,4E+03 / 5,3E+02 / 4,0E+03
3 / 14484-64-1 / ferbam / DTC / –3.16 / 1.21 / 22 / 1 / 1 / 8 / 12 / 1,5E+03 / 5,3E+02 / 4,0E+03 / 1,2E+03 / 3,9E+02 / 3,4E+03
4 / 8018-01-7 / mancozeb / DTC / –2.81 / 0.75 / 26 / 0 / 2 / 7 / 17 / 6,5E+02 / 3,6E+02 / 1,2E+03 / 5,1E+02 / 2,8E+02 / 8,7E+02
5 / 12427-38-2 / maneb / DTC / –2.83 / 1.00 / 44 / 1 / 2 / 13 / 28 / 6,8E+02 / 3,8E+02 / 1,2E+03 / 5,4E+02 / 2,8E+02 / 1,1E+03
6 / 137-42-8 / metam-sodium / DTC / –3.26 / 0.57 / 6 / 0 / 0 / 2 / 4 / 1,8E+03 / 6,1E+02 / 5,4E+03 / 1,4E+03 / 4,6E+02 / 4,6E+03
7 / 144-54-7 / methyldithiocarbamic-acid- / DTC / –2.93 / 1.06 / 5 / 0 / 1 / 1 / 3 / 8,4E+02 / 8,1E+01 / 8,5E+03 / 6,7E+02 / 5,8E+01 / 6,9E+03
8 / 9006-42-2 / metiram / DTC / –2.61 / 0.82 / 19 / 2 / 5 / 5 / 7 / 4,1E+02 / 1,9E+02 / 8,7E+02 / 3,3E+02 / 1,4E+02 / 7,2E+02
9 / 137-26-8 / thiram / DTC / –3.78 / 1.19 / 32 / 1 / 3 / 10 / 18 / 6,1E+03 / 2,7E+03 / 1,4E+04 / 4,7E+03 / 2,2E+03 / 9,2E+03
10 / 12122-67-7 / Zineb / DTC / –2.10 / 1.04 / 15 / 0 / 2 / 3 / 10 / 1,3E+02 / 4,2E+01 / 3,7E+02 / 9,9E+01 / 3,2E+01 / 3,1E+02
11 / 137-30-4 / ziram / DTC / –3.39 / 0.52 / 21 / 0 / 2 / 9 / 10 / 2,5E+03 / 1,6E+03 / 3,9E+03 / 1,9E+03 / 1,1E+03 / 3,4E+03
12 / 3766-81-2 / 2-butylphenyl methylcarbamate / IAC / –2.40 / 1.01 / 16 / 0 / 0 / 8 / 8 / 2,5E+02 / 9,2E+01 / 6,9E+02 / 2,6E+02 / 5,5E+01 / 1,0E+03
13 / 3942-54-9 / 2-chlorophenyl methylcarbamate / IAC / –2.27 / 1.29 / 7 / 0 / 0 / 6 / 1 / 1,9E+02 / 2,1E+01 / 1,6E+03 / 1,9E+02 / 1,6E+01 / 2,1E+03
14 / 8065-36-9 / 3-(1-Ethylpropyl)-phenol, Methylcarbamate, Mixt. with 3-(1-Methylbutyl)phenyl methylcarbamate / IAC / –4.90 / 1.23 / 6 / 0 / 0 / 4 / 2 / 8,0E+04 / 8,1E+03 / 8,1E+05 / 8,4E+04 / 5,8E+03 / 1,0E+06
15 / 3692-90-8 / 3-(2-Propynyloxy)phenol methylcarbamate / IAC / –3.60 / 0.90 / 2 / 0 / 0 / 2 / 0 / 4,0E+03 / 3,5E-01 / 4,9E+07 / 4,1E+03 / 2,1E-01 / 5,0E+07
16 / 2686-99-9 / 3,4,5-trimethylphenyl methylcarbamate / IAC / –3.81 / 1.28 / 9 / 0 / 0 / 5 / 4 / 6,5E+03 / 1,0E+03 / 3,9E+04 / 6,8E+03 / 7,6E+02 / 5,1E+04
17 / 2425-10-7 / 3,4-xylyl methylcarbamate / IAC / –2.32 / 0.87 / 11 / 0 / 0 / 9 / 2 / 2,1E+02 / 6,9E+01 / 6,2E+02 / 2,2E+02 / 4,2E+01 / 9,1E+02
18 / 64-00-6 / 3-isopropylphenyl methylcarbamate / IAC / –4.23 / 0.75 / 3 / 0 / 0 / 1 / 2 / 1,7E+04 / 8,8E+02 / 3,1E+05 / 1,8E+04 / 7,3E+02 / 3,6E+05
19 / 2917-19-3 / 5-sec-Butyl-2-chlorophenyl methylcarbamate / IAC / –4.49 / 0.66 / 2 / 0 / 0 / 2 / 0 / 3,1E+04 / 3,4E+01 / 3,1E+07 / 3,2E+04 / 2,6E+01 / 3,0E+07
20 / 116-06-3 / aldicarb / IAC / –3.24 / 1.09 / 43 / 4 / 1 / 19 / 19 / 1,7E+03 / 9,0E+02 / 3,3E+03 / 1,9E+03 / 4,2E+02 / 5,8E+03
21 / 1646-87-3 / Aldicarb sulfoxide / IAC / –2.90 / 1.11 / 3 / 0 / 1 / 1 / 1 / 7,9E+02 / 1,1E+01 / 5,7E+04 / 8,1E+02 / 1,1E+01 / 6,8E+04
22 / 1646-88-4 / Aldoxycarb / IAC / –2.43 / 1.15 / 5 / 0 / 1 / 2 / 2 / 2,7E+02 / 2,2E+01 / 3,3E+03 / 2,8E+02 / 1,8E+01 / 4,0E+03
23 / 6392-46-7 / allyxycarb / IAC / –2.65 / 0.05 / 4 / 0 / 0 / 4 / 0 / 4,4E+02 / 3,9E+02 / 5,1E+02 / 4,9E+02 / 1,3E+02 / 1,1E+03
24 / 2032-59-9 / aminocarb / IAC / –2.89 / 1.01 / 36 / 0 / 1 / 23 / 12 / 7,7E+02 / 4,0E+02 / 1,5E+03 / 8,3E+02 / 2,0E+02 / 2,5E+03
25 / 22781-23-3 / Bendiocarb / IAC / –3.58 / 0.82 / 19 / 0 / 2 / 13 / 4 / 3,8E+03 / 1,8E+03 / 8,2E+03 / 4,1E+03 / 9,8E+02 / 1,3E+04
26 / 82560-54-1 / Benfuracarb / IAC / –3.60 / 0.96 / 3 / 0 / 0 / 1 / 2 / 4,0E+03 / 9,6E+01 / 1,6E+05 / 4,2E+03 / 8,5E+01 / 2,1E+05
27 / 2282-34-0 / Bufencarb / IAC / –4.87 / 0.86 / 5 / 0 / 0 / 4 / 1 / 7,4E+04 / 1,1E+04 / 5,0E+05 / 7,7E+04 / 7,6E+03 / 6,2E+05
28 / 34681-10-2 / butocarboxim / IAC / –1.68 / 0.52 / 5 / 0 / 0 / 2 / 3 / 4,8E+01 / 1,5E+01 / 1,5E+02 / 5,1E+01 / 9,1E+00 / 2,2E+02
29 / 34681-23-7 / butoxycarboxim / IAC / –1.28 / 1.83 / 3 / 0 / 0 / 1 / 2 / 1,9E+01 / 1,3E-02 / 2,4E+04 / 1,9E+01 / 1,3E-02 / 2,3E+04
30 / 63-25-2 / carbaryl / IAC / –3.00 / 1.17 / 200 / 5 / 4 / 108 / 83 / 1,0E+03 / 7,3E+02 / 1,4E+03 / 1,1E+03 / 2,9E+02 / 2,7E+03