Accumulation of polar compounds in leaves and fruits - questioning the suitability of widely used TSCF - log Kow regressons: Abstract P771

W.J. Doucette; Stefan Trapp

Accumulation of polar compounds in leaves and fruits - questioning the suitability of widely used TSCF - log Kow regressons: Abstract P771

Department of Environmental Engineering

Research output: Chapter in Book/Report/Conference proceeding › Conference abstract in proceedings › Research › peer-review

Abstract

Although the specific mechanisms are not completely understood, plant uptake of most xenobiotic organic compounds is believed to be a passive process related at least in part to the lipophilicity of the compound. The transpiration stream concentration factor (TSCF), a ratio of xylem to root-zone solution concentrations, is one of the most widely used descriptors in plant uptake modeling. Unfortunately, experimentally determined TSCF values are extremely limited and TSCF used in modeling efforts are often estimated from empirically derived bell-shaped curves that relate TSCF to the log octanol/water partition coefficient (Kow). The shape of the curve implies that there is an optimal
lipophilicity for uptake and translocation and compounds that are highly polar are not expected to be significantly translocated.However, recent experimental
uptake data generated for highly water-soluble and water miscible compounds
(e.g.. sulfolane, 1,4- dioxane, MTBE) suggest that this relationship may not be appropriate. An alternative TSCF-log Kow relationship in combination with a refined model for predicting uptake and accumulation in edible fruits.

Original language	English
Title of host publication	SETAC North America 27th annual meeting: Global environment and sustainability - sound science in a world of diversity. 5-9 November 2006. Montreal, Canada
Number of pages	165
Place of Publication	Pensacola, FL
Publisher	SETAC
Publication date	2006
Publication status	Published - 2006
Event	SETAC North America 27th annual meeting : Global environment and sustainability - sound science in a world of diversity - Montreal, Canada Duration: 5 Nov 2006 → 9 Nov 2006 Conference number: 27

Conference

Conference	SETAC North America 27th annual meeting : Global environment and sustainability - sound science in a world of diversity
Number	27
Country	Canada
City	Montreal
Period	05/11/2006 → 09/11/2006

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@inbook{655608d279594287950e904eba824b61,

title = "Accumulation of polar compounds in leaves and fruits - questioning the suitability of widely used TSCF - log Kow regressons: Abstract P771",

abstract = "Although the specific mechanisms are not completely understood, plant uptake of most xenobiotic organic compounds is believed to be a passive process related at least in part to the lipophilicity of the compound. The transpiration stream concentration factor (TSCF), a ratio of xylem to root-zone solution concentrations, is one of the most widely used descriptors in plant uptake modeling. Unfortunately, experimentally determined TSCF values are extremely limited and TSCF used in modeling efforts are often estimated from empirically derived bell-shaped curves that relate TSCF to the log octanol/water partition coefficient (Kow). The shape of the curve implies that there is an optimal lipophilicity for uptake and translocation and compounds that are highly polar are not expected to be significantly translocated.However, recent experimental uptake data generated for highly water-soluble and water miscible compounds (e.g.. sulfolane, 1,4- dioxane, MTBE) suggest that this relationship may not be appropriate. An alternative TSCF-log Kow relationship in combination with a refined model for predicting uptake and accumulation in edible fruits.",

author = "W.J. Doucette and Stefan Trapp",

year = "2006",

language = "English",

booktitle = "SETAC North America 27th annual meeting: Global environment and sustainability - sound science in a world of diversity. 5-9 November 2006. Montreal, Canada",

publisher = "SETAC",

note = "SETAC North America 27th annual meeting : Global environment and sustainability - sound science in a world of diversity ; Conference date: 05-11-2006 Through 09-11-2006",

}

Doucette, WJ & Trapp, S 2006, Accumulation of polar compounds in leaves and fruits - questioning the suitability of widely used TSCF - log Kow regressons: Abstract P771. in SETAC North America 27th annual meeting: Global environment and sustainability - sound science in a world of diversity. 5-9 November 2006. Montreal, Canada. SETAC, Pensacola, FL, SETAC North America 27th annual meeting : Global environment and sustainability - sound science in a world of diversity, Montreal, Canada, 05/11/2006.

Accumulation of polar compounds in leaves and fruits - questioning the suitability of widely used TSCF - log Kow regressons : Abstract P771. / Doucette, W.J.; Trapp, Stefan.

SETAC North America 27th annual meeting: Global environment and sustainability - sound science in a world of diversity. 5-9 November 2006. Montreal, Canada. Pensacola, FL : SETAC, 2006.

Research output: Chapter in Book/Report/Conference proceeding › Conference abstract in proceedings › Research › peer-review

TY - ABST

T1 - Accumulation of polar compounds in leaves and fruits - questioning the suitability of widely used TSCF - log Kow regressons

T2 - SETAC North America 27th annual meeting : Global environment and sustainability - sound science in a world of diversity

AU - Doucette, W.J.

AU - Trapp, Stefan

N1 - Conference code: 27

PY - 2006

Y1 - 2006

N2 - Although the specific mechanisms are not completely understood, plant uptake of most xenobiotic organic compounds is believed to be a passive process related at least in part to the lipophilicity of the compound. The transpiration stream concentration factor (TSCF), a ratio of xylem to root-zone solution concentrations, is one of the most widely used descriptors in plant uptake modeling. Unfortunately, experimentally determined TSCF values are extremely limited and TSCF used in modeling efforts are often estimated from empirically derived bell-shaped curves that relate TSCF to the log octanol/water partition coefficient (Kow). The shape of the curve implies that there is an optimal lipophilicity for uptake and translocation and compounds that are highly polar are not expected to be significantly translocated.However, recent experimental uptake data generated for highly water-soluble and water miscible compounds (e.g.. sulfolane, 1,4- dioxane, MTBE) suggest that this relationship may not be appropriate. An alternative TSCF-log Kow relationship in combination with a refined model for predicting uptake and accumulation in edible fruits.

AB - Although the specific mechanisms are not completely understood, plant uptake of most xenobiotic organic compounds is believed to be a passive process related at least in part to the lipophilicity of the compound. The transpiration stream concentration factor (TSCF), a ratio of xylem to root-zone solution concentrations, is one of the most widely used descriptors in plant uptake modeling. Unfortunately, experimentally determined TSCF values are extremely limited and TSCF used in modeling efforts are often estimated from empirically derived bell-shaped curves that relate TSCF to the log octanol/water partition coefficient (Kow). The shape of the curve implies that there is an optimal lipophilicity for uptake and translocation and compounds that are highly polar are not expected to be significantly translocated.However, recent experimental uptake data generated for highly water-soluble and water miscible compounds (e.g.. sulfolane, 1,4- dioxane, MTBE) suggest that this relationship may not be appropriate. An alternative TSCF-log Kow relationship in combination with a refined model for predicting uptake and accumulation in edible fruits.

M3 - Conference abstract in proceedings

BT - SETAC North America 27th annual meeting: Global environment and sustainability - sound science in a world of diversity. 5-9 November 2006. Montreal, Canada

PB - SETAC

CY - Pensacola, FL

Y2 - 5 November 2006 through 9 November 2006

ER -