Biomedical subjects

H A Govers

Publications and source records attributed to H A Govers.

3 recordsLinked to original sources

PubMed1991

Descriptors for isomer resolution of (bio-) distribution of chlorinated aromatic compounds.

Both Solubility Parameter (SOLPAR) and Linear Solvation Energy Relationship (LSER) theory utilize molar volume and energies as descriptors for distribution phenomena. They provide powerful methods for the prediction of the GLC retention indices of chlorobenzenes (CBzs) and tetrachlorodibenzo[p]dioxins (TCDDs). Almost complete isomer resolution is obtained with correlation coefficients (r) of greater than or equal to 0.9984 (CBzs) and greater than or equal to 0.9839 (TCDDs). The n-octanol/water partition coefficient (log Kow) of CBzs can be calculated with a standard error of regression of 0.04, which compares favourably with standard deviations of 0.03-0.26 in mean values based on four different experimental methods. The HPLC capacity factor of TCDDs on C18 columns can be predicted by SOLPAR with moderate accuracy (r = 0.9470), allowing for a preliminary calculation of log Kow. A simplified LSER method fails.

Chlorobenzenes↗

PubMed1991

QSARs and PARs for biodegradation of PCBs.

Relationships between the biodegradation rate constants of a number of polychlorinated biphenyls (PCBs) and hydrophobic and electronic structural parameters are compared. There is no simple relationship with octanol-water partition coefficients, indicating that the biodegradation rates of PCBs are probably not determined by their rates of permeation through the bacterial membranes. Biodegradation rate constants correlated much better with both the electronic and hydrophobic properties of the chlorine substituents, which suggests that the reactivity and possibly enzyme binding of PCBs control their biodegradation rates.

Acinetobacter↗

PubMed1990

Quantitative structure-activity relationships for biodegradation.

Quantitative structure-activity relationships (QSARs) between biodegradation rates of organic compounds and chemical structure parameters are reviewed. Although a number of such relationships have been developed, they in general only apply to restricted ranges of compounds, limiting their value as predictors of biodegradation rates. For many of these classes of chemicals relationships have been reported with different structural descriptors, varying from macroscopic physical properties to molecular structure parameters. More information on the mechanism and rate-determining steps of biodegradation, which can lead to a better-founded choice of descriptors, and more biodegradation rate data are required to further develop QSARs for biodegradation.

Biodegradation, Environmental↗