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Open Access Green as soon as Postprint is submitted to ZB.
Relationship of air sampling rates of semipermeable membrane devices with the properties of organochlorine pesticides.
J. Environ. Sci. 23S, S40-S44 (2011)
The organochlorine pesticides (OCP) in Eastern-Barvaria at Haidel 1160 m a.s.l. were monitored with a low volume active air sampler and semi-permeable membrane devices (SPMD). The air sampling rates (Rair) of SPMD for OCP were calculated. Quantitative structure-property relationship (QSPR) models of Rair of SPMD were developed for OCP with partial least square (PLS) regression. Quantum chemical descriptors computed by semi-empirical PM6 method were used as predictor variables. The cumulative variance of the dependent variable explained by the PLS components and determined by cross-validation (Q(2)cum), for the optimal models, is 0.637, indicating that the model has good predictive ability and robustness, and could be used to estimate Rair values of OCP. The main factors governing Rair of OCP are intermolecular interactions and the energy required for cave-forming in dissolution of OCP into triolein of SPMD.
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Publication type
Article: Journal article
Document type
Scientific Article
Keywords
Air Sampling Rate ; Ocp ; Qspr ; Spmd
ISSN (print) / ISBN
1001-0742
e-ISSN
1878-7320
Quellenangaben
Volume: 23S,
Pages: S40-S44
Publisher
IOS Press
Publishing Place
[Amsterdam]; Beijing
Non-patent literature
Publications
Reviewing status
Peer reviewed