Structure-Toxicity Relationships For Alkanones and Alkenones

References

• Könemann , H. 1981 . Quantitative structure-activity relationships in fish toxicity studies. Part 1: Relationship for 50 industrial pollutants . Toxicology , 19 : 209 – 221 .
   PubMed Web of Science ®Google Scholar
• Veith , G. D. , Call , D. J. and Brooke , L. T. 1983 . Structure-toxicity relationships for the fathead minnow, Pimephelas promelas: Narcotic industrial chemicals . Canad. J. Fish. Aquatic Sci. , 40 : 743 – 748 .
   Web of Science ®Google Scholar
• Schultz , T. W. , Wyatt , N. L. and Lin , D. T. 1990 . Structure-toxicity relationships for nonpolar narcotics: A comparison of data from the Tetrahymena, Photobacterium and Pimephales systems . Bull. Environ. Contam. Toxicol. , 44 : 67 – 72 .
   PubMed Web of Science ®Google Scholar
• Hermens , J. L.M. 1990 . Electrophiles and acute toxicity to fish . Environ Health Perspect. , 87 : 219 – 225 .
   PubMed Web of Science ®Google Scholar
• Lipnick , R. L. , Watson , K. R. and Strausz , A. K. 1987 . A QSAR study of the acute toxicity of some industrial organic chemicals to goldfish. Narcosis, electrophiles and proelectrophile mechanisms . Xenobiotica , 17 : 1011 – 1025 .
   PubMed Web of Science ®Google Scholar
• McFarland , J. W. 1970 . On the parabolic relationship between drug potency and hydrophobicity . J. Med. Chem. , 13 : 1192 – 1196 .
   PubMed Web of Science ®Google Scholar
• Veith , G. D. and Mekenyan , O. G. 1993 . A QSAR approach for estimating the aquatic toxicity of soft electrophiles (QSAR for soft electrophiles) . Quant. Struct.-Act. Relat. , 12 : 349 – 356 .
   Web of Science ®Google Scholar
• Gant , T. W. , Ramakrishna Rao , D. N. , Mason , R. P. and Cohen , G. M. 1988 . Redox cycling and sulphydryl arylation; their relative importance in the mechanism of quinone cytotoxicity to isolated hepatocytes . Chem.-Biol. Interact. , 65 : 157 – 173 .
   PubMed Web of Science ®Google Scholar
• Comporti , M. 1989 . Three models of free radical-induced cell injury . Chem.-Biol Interact. , 72 : 1 – 56 .
   PubMed Web of Science ®Google Scholar
• O'Brien , P. J. 1991 . Molecular mechanisms of quinone cytotoxicity . Chem.-Biol. Interact. , 80 : 1 – 41 .
   PubMed Web of Science ®Google Scholar
• Kehrer , J. P. 1993 . Free radicals as mediators of tissue injury and disease . Crit. Rev. Toxicol. , 23 : 21 – 48 .
   PubMed Web of Science ®Google Scholar
• Klopman , G. 1974 . “ The generalized perturbation theory of chemical reactivity and its applications ” . In Chemical Reactivity and Reaction Paths , Edited by: Klopman , G. 55 – 165 . New York : John Wiley & Sons .
   Google Scholar
• Mekenyan , O. G. and Veith , G. D. 1994 . Relationships between descriptors for hydrophobicity and soft electrophilicity in predicting toxicity . SAR QSAR Environ. Res. , 1 : 335 – 344 .
   Google Scholar
• Schultz , T. W. and Cajina-Quezada , M. 1982 . Structure toxicity relationships of selected nitrogenous heterocyclic compounds. II. Dinitrogen molecules . Arch. Environ. Contam. Toxicol. , 11 : 353 – 361 .
   PubMed Web of Science ®Google Scholar
• Schultz , T. W. , Lin , D. T. , Wilke , T. S. and Arnold , L. M. 1990 . “ Quantitative structure-activity relationships for the Tetrahymena pyriformis population growth endpoint: A mechanisms of action approach ” . In Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology , Edited by: Karcher , W. and Devillers , J. 241 – 262 . Dordrecht : Kluwer Academic Publishers .
   Google Scholar
• SAS Institute Inc. 1989 . SAS/STAT User's Guide, , Fourth Edition , Vol. 2 , 846 Cary North Carolina . Version 6
   Google Scholar
• Leo , A. and Weininger , D. 1988 . MEDCHEM software release 3.53 , Claremont, California : Pomona Medical Chemistry Project, Pomona College .
   Google Scholar
• Anderson , E. , Veith , G. D. and Weininger , D. 1987 . SMILES: A line notation and computerized interpreter for chemical structures USEPA Environmental Research Brief EPA/600/M-87 021.
   Google Scholar
• Schultz , T. W. , Arnold , L. M. , Wilke , T. S. and Moulton , M. P. 1990 . Relationships of quantitative structure-activity for normal aliphatic alcohols . Ecotoxicol. Environ. Saf. , 19 : 243 – 253 .
   Web of Science ®Google Scholar
• Mekenyan , O. G. and Veith , G. D. 1994 . The electronic factor in QSAR: MO-parameters, competing interactions, reactivity and toxicity . SAR QSAR Environ. Res. , 2 : 129 – 143 .
   PubMedGoogle Scholar
• Schultz , T. W. 1989 . “ Nonpolar narcosis: A review of the mechanism of action for baseline toxicity ” . In Aquatic Toxicology and Environmental Fate: Twelfth Volume, ASTM STP 1027 , Edited by: Cowgill , U. M. and Williams , L. R. 104 – 109 . Philadelphia : Amer. Soc. Test. Mater. .
   Google Scholar
• Hansch , C. , Kim , D. , Leo , A. J. , Novellino , E. , Silipo , C. and Vittoria , A. 1989 . Toward a quantitative comparative toxicology of organic compounds . Crit. Rev. Toxicol. , 19 : 185 – 226 .
   PubMed Web of Science ®Google Scholar
• Schultz , T. W. and Tichy , M. 1993 . Structure-toxicity relationships for unsaturated alcohols to Tetrahymena pyriformis: C5 and C6 analogs and primary propargylic alcohols . Bull. Environ. Contam. Toxicol. , 51 : 681 – 688 .
   PubMed Web of Science ®Google Scholar
• Nendza , M. and Russom , C. L. 1991 . QSAR modeling of the ERL-D fathead minnow acute toxicity database . Xenobiotica , 21 : 147 – 170 .
   PubMed Web of Science ®Google Scholar
• Jaworska , J. S. and Schultz , T. W. 1993 . Quantitative relationships of structure-toxicity and volume fraction for selected nonpolar and polar narcotic chemicals . SAR QSAR Environ. Res. , 1 : 3 – 19 .
   PubMedGoogle Scholar
• Jung , M. E. 1976 . A review of annulation . Tetrahedron , 32 : 3 – 31 .
   Web of Science ®Google Scholar
• Fukui , K. , Yonezawa , T. and Shingu , H. 1952 . A molecular orbital theory of reactivity in aromatic hydrocarbons . J. Chem. Phys. , 20 : 722 – 725 .
   Web of Science ®Google Scholar
• Fukui , K. , Yonezawa , T. , Nagata , C. and Shingu , H. 1954 . Molecular orbital theory of orientation in aromatic, heteroaromatic, and other conjugated molecules . J. Chem. Phys. , 22 : 1433 – 1442 .
   Web of Science ®Google Scholar
• Zhou , Z. , Parr , R. G. and Garst , J. F. 1988 . Absolute hardness as a measure of aromaticity . Tetrahedron Lett. , 29 : 4843 – 4846 .
   Web of Science ®Google Scholar
• Zhou , Z. and Parr , R. G. 1989 . New measures of aromaticity: Absolute hardness and reactive hardness . J. Am. Chem. Soc. , 111 : 7371 – 7379 .
   Web of Science ®Google Scholar
• Pearson , R. G. 1993 . The principle of maximum hardness . Acc. Chem. Res. , 26 : 250 – 255 .
   Web of Science ®Google Scholar
• Mekenyan , O. G. , Veith , G. D. , Bradbury , S. P. and Russom , C. L. 1993 . Structure-toxicity relationships for α-β unsaturated alcohols in fish . Quant. Struct.-Act. Relat. , 12 : 132 – 136 .
   Web of Science ®Google Scholar
• Ferguson , J. 1939 . The use of chemical potentials as indices of toxicity . Proc. R. Soc. (London), Ser. B , 127 : 387 – 404 .
   Google Scholar