title: A noval method of predicting soil organic carbon content normalized adsorption coefficients (Koc) of polybrominated biphenyls (PBBs).
abstract: By a soil column liquid chromatograph (SCLC) method, the soil organic carbon content normalized adsorption coefficients (K(oc)) of six polybrominated biphenyls (PBB15, PBB26, PBB31, PBB49, PBB103 and PBB153) are determined. Based on the similarity between the molecular structures of PBBs and PCBs, a simple linear predictive model has been developed with the correlation coefficient R=0.9812 and standard error SE=0.19. The logK(oc) values of any PBB congeners can be predicted by using the logK(oc) values of the corresponding PCBs according to this model. Using the published data for logK(oc) values of PCB congeners, logK(oc) values of all 209 PBB congeners have been for the first time predicted. Compared with the data obtained from the experiment, the results of prediction are very accurate.
authors.affiliation: Dalian Institute of Chemical Physics, Chinese Academy of Science, 161 Zhongshan Road, Dalian 116011, PR China.
authors.forename: Hongxia
authors.initials: H
authors.lastname: Zhao
authors.forename: Rongbo
authors.initials: R
authors.lastname: Guo
authors.forename: Jiping
authors.initials: J
authors.lastname: Chen
authors.forename: Xinmiao
authors.initials: X
authors.lastname: Liang
mesh_terms: D000327:Adsorption; D002244:Carbon / Q000032:analysis*; D002853:Chromatography, Liquid; D004784:Environmental Monitoring / Q000379:methods*; D005544:Forecasting; D015394:Molecular Structure; D011075:Polybrominated Biphenyls / Q000032:analysis*; D012987:Soil / Q000032:analysis* / Q000592:standards; D012989:Soil Pollutants / Q000032:analysis*
chemical_list: D011075:Polybrominated Biphenyls; D012987:Soil; D012989:Soil Pollutants; D002244:Carbon