PMID- 9194418
OWN - NLM
STAT- MEDLINE
DCOM- 19970715
LR  - 20190727
IS  - 0041-008X (Print)
IS  - 0041-008X (Linking)
VI  - 144
IP  - 2
DP  - 1997 Jun
TI  - Using structural information to create physiologically based pharmacokinetic 
      models for all polychlorinated biphenyls.
PG  - 340-7
AB  - Physiologically based pharmacokinetic (PBPK) models are useful in describing the 
      distribution, metabolism, and fate of xenobiotics across multiple species. The 
      eventual goal of the present research is to create PBPK models for all 209 
      polychlorinated biphenyls (PCBs). Key parameters in any PBPK model are the 
      tissue-to-blood partition coefficients. Tissue:blood partition coefficients 
      relate the compound's concentration in a target tissue to its concentration in 
      blood under equilibrium conditions. Data on the adipose:plasma partition 
      coefficients of 24 PCBs were used in a regression analysis to find an expression 
      for the adipose:plasma partition coefficient as a function of molecular 
      structure. Using stepwise regression, it was found that three simple structural 
      descriptors were sufficient to predict adipose:plasma partition coefficients for 
      all 209 PCB congeners. Data on the distribution of PCBs among blood components 
      were used to derive the adipose:blood partition coefficient from the 
      adipose:plasma partition coefficient. The lipid contents of liver, muscle, and 
      skin were used to derive the tissue:blood partition coefficient for those tissues 
      from the adipose:blood partition coefficient. These results allow for the 
      calculation of tissue:blood partition coefficients for liver, skin, muscles, and 
      fat for all 209 PCB congeners.
FAU - Parham, F M
AU  - Parham FM
AD  - OAO/National Institute of Environmental Health Sciences, Research Triangle Park, 
      North Carolina 27709, USA.
FAU - Kohn, M C
AU  - Kohn MC
FAU - Matthews, H B
AU  - Matthews HB
FAU - DeRosa, C
AU  - DeRosa C
FAU - Portier, C J
AU  - Portier CJ
LA  - eng
PT  - Journal Article
PT  - Review
PL  - United States
TA  - Toxicol Appl Pharmacol
JT  - Toxicology and applied pharmacology
JID - 0416575
RN  - DFC2HB4I0K (Polychlorinated Biphenyls)
SB  - IM
MH  - Adipose Tissue/*metabolism
MH  - Animals
MH  - Blood/*metabolism
MH  - Humans
MH  - *Models, Biological
MH  - Polychlorinated Biphenyls/chemistry/*pharmacokinetics
MH  - Solubility
MH  - Structure-Activity Relationship
RF  - 27
EDAT- 1997/06/01 00:00
MHDA- 1997/06/01 00:01
CRDT- 1997/06/01 00:00
PHST- 1997/06/01 00:00 [pubmed]
PHST- 1997/06/01 00:01 [medline]
PHST- 1997/06/01 00:00 [entrez]
AID - S0041008X97981394 [pii]
AID - 10.1006/taap.1997.8139 [doi]
PST - ppublish
SO  - Toxicol Appl Pharmacol. 1997 Jun;144(2):340-7. doi: 10.1006/taap.1997.8139.