Post- Doctoral Investigator, Oak Ridge National Laboratory
Teaching
Vet Histology
Toxicology
Research Interests
Dr. Schultz coordinates The Biological-Activity Testing and Modeling Laboratory
is housed in the York Veterinary Teaching Hospital and has
academic ties to the Department of Comparative Medicine, College of Veterinary
Medicine and Department of Ecology and Evolutionary
Biology, College of Arts and Sciences. Its mission also includes: the development,
validation, and use of rapid and inexpensive assays for the
evaluation of environmental toxicity; the development, validation, and use of
structure-activity models for predicting toxic potency, and
advancement of the basic understanding of toxicology, especially of industrial
organic chemicals.
Current experimental systems being used include bacterial bioluminescent assays,
protozoan population growth inhibition assay,
yeast recombinant systems for endocrine disruption and toxicogenomics. Structure-toxicity
modeling focuses on modeling across mechanisms of
action and involves endpoints representing different trophic levels. Current
model development involves knowledge-based expert systems
for ecotoxicity and receptor-mediated endocrine modulation.
On going projects include studies of direct acting electrophiles, high production
volume chemicals, and xenoestrogens and modeling no-
observable-effects-concentrations. Other investigations are examining the bioactivities
of polychlorinated biphenyls and polycyclic aromatic
hydrocarbons, as well as thyroid modulators.
Professional Societies
American Chemical Society
Society of Environmental Toxicology & Chemistry
QSAR Society
Selected Publications
Seward, J.R., Cronin, M.T.D. and
Schultz, T.W. 2001. Structure-toxicity analyses of Tetrahymena pyriformis exposed to pyridine – An examination into extension of surface-response domains. SAR QSAR in Environmental. Research 11: 489-512.
Leblond, J.D., Schultz, T.W. and Sayler, G.S. 2001. Observations on the preferential biodegradation of selected components of polyaromatic hydrocarbon mixtures. Chemosphere 42: 333-343.
DeWeese, A.D. and Schultz,
T.W. 2001. Structure-activity relationships for aquatic toxicity to
Tetrahymena: Halogen-substituted aliphatic esters. Environmental Toxicology 16: 54-60.
Seward, J.R., Sinks, G.D. and
Schultz, T.W. 2001. Reproducibility of toxicity across mode of toxic action the
Tetrahymena population growth impairment assay. Aquatic Toxicology 53: 33-47.
Sinks, G.D. and Schultz, T.W. 2001. Correlations of
Tetrahymena and Pimephales toxicity: Evaluation of 100 additional compounds. Environmental Toxicology and Chemistry 20: 917-921.
Cronin, M.T.D. and Schultz, T.W. 2001. Development of quantitative structure-activity relationships for the toxicity of aromatic compounds to
Tetrahymena pyriformis: Comparative assessment of methodologies. Chemical Research in Toxicology 14:1284-1295.
Cronin, M.T.D., Manga, N., Seward, J.R., Sinks, G.D. and
Schultz, T.W. 2001. Parameterization of electrophilicity for the prediction of the toxicity of aromatic compounds. Chemical Research in Toxicology 14: 1498-1505.
Schultz, T.W., Sinks, G.D. and Miller, L.A. 2001. Population growth impairment of sulfur-containing compounds to
Tetrahymena pyriformis. Environmental Toxicology 16: 543-549.
Ren, S. and Schultz, T.W. 2002. Identifying the mechanism of aquatic toxicity of selected compounds by hydrophobicity and electrophilic descriptors. Toxicology Letters 129:151-160.
Kaiser, K.L.E., Niculescu, S.P., and
Schultz, T.W. 2002. Probabilistic neural network modeling of the toxicity of chemicals to
Tetrahymena pyriformis with molecular fragment descriptors. SAR and QSAR in Environmental Research 13: 57-67.
Schultz, T.W. 2002. Estrogenicity of biphenylols: Activity in the yeast gene activation assay. Bulletin of Environmental Contamination and Toxicology 68: 332-338.
Schultz, T.W., Sinks, G.D. and Cronin, M.T.D. 2002. Structure-activity relationships for gene activation oestrogenicity: Evaluation of a diverse set of aromatic compounds. Environmental Toxicology 17: 14-23.
Seward, J.R., Hamblen, E.L. and
Schultz, T.W. 2002. Regression comparison of Tetrahymena pyriformis and
Poecilia reticulata toxicity. Chemosphere 47: 93-101.
Schultz, T.W. and Sinks, G.D. 2002. Xenoestrogenic gene expression: Structural feature of active polycyclic aromatic hydrocarbons. Environmental Toxicology and Chemistry 21: 783-786.
Seward, J.R., Cronin, M.T.D. and
Schultz, T. W. 2002. Effect of precision of molecular orbital descriptors on the modeling of toxicity of selected pyridines. SAR QSAR in Environmental Research 13: 325-340.
Layton, A.C., Sanserverino, J., Gregory, B.W., Ester, J.P., Sayler, G.S. and
Schultz, T.W. 2002. In vitro estrogen receptor binding of PCBs: Measured activity and detection of hydroxylated metabolites in a recombinant yeast assay. Toxicology and Applied Pharmacology 180: 157-163.
Aptula, A.O., Netzeva, T.I., Valkova, I.V., Cronin, M.T.D.,
Schultz, T.W., Kühne, R. and Schüürmann, G. 2002. Multivariate discrimination between modes of toxic action of phenols. Quantitative Structure-Activity Relationships 21: 12-22.
Schultz, T.W., Sinks, G.D. and Bearden-Lowit, A.P. 2002. Population growth kinetics and membrane lipid alterations in
Tetrahymena pyriformis upon expose to pentachlorophenol. Cell Biology and Toxicology 18: 271-278.
Cronin, M.T.D., Aptula, A.O., Dearden, J.C., Duffy, J.C., Netzeva, T.I., Patel, H., Rowe, P.H.,
Schultz, T.W., Worth, A.P., Voutzoulidia, K. and Schüürmann, G. 2002. Structure-based classification of antibacterial activity. Journal of Chemical Information and Computer Science 42: 869-878.
Patel, H., Schultz, T.W. and Cronin, M.T.D. 2002. Physico-chemical interpretation and prediction of the dimyristoyl phosphatidyl choline-water partition coefficient. Journal of Molecular Structure-THEOCHEM 593: 9-18.
Cronin, M.T.D., Aptula, A.O., Duffy, J.C., Netzeva, T.I., Rowe, P.H., Valkova, I.V.,
Schultz, T.W. 2002. Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to
Tetrahymena pyriformis. Chemosphere 49: 1201-1221.
Schultz, T.W., Cronin, M.T.D., Netzeva, T.I. and Aptula, A.O. 2002. Structure-toxicity relationships for aliphatic chemicals evaluated with
Tetrahymena pyriformis. Chemical Research in Toxicology 15: 1602-1609.
Schaeffer, D.O. and Schultz, T.W. 2002. Biology and Diseases of Amphibians. In: Fox, J.G., Anderson, L.C., Loew, F.M., and Quimby, F.W. (eds.)
Laboratory Animal Medicine. 2nd Ed., Academic Press, San Diego, CA, USA, pp. 793-826.
Walker J.D. and Schultz T.W. 2002. Structure activity relationships for predicting ecological effects of chemicals. In: Hoffman, D.J, Rattner, B.A. Burton, G.A. Jr., and Cairns, J. Jr. (eds.) Handbook of Ecotoxicology 2nd Ed. CRC Press, Boca Raton, FL, USA, pp. 893-910.
Schultz T.W., Netzeva, T.I., and Cronin, M.T.D. 2003. The use of diversity versus representivity in the training and validation of quantitative structure-activity relationships. SAR QSAR in Environmental Research 14: 59-81.
Schultz, T.W. and Cronin, M.T.D. 2003. Essential and desirable characteristics of ecotoxicity QSARs. Environmental Toxicology and Chemistry 22: 599-607.
Schultz, T.W. and Dawson, D.A. 2003. Housing and husbandry of Xenopus. Laboratory Animal 32: 34-39.
Schultz, T.W., Cronin, M.T.D., Walker, J.D. and Aptula, A.O. 2003. Quantitative structure-activity relationships in (QSARs) in toxicology: A historical perspective. Journal of Molecular Structure-THEOCHEM 622: 1-22.
Schultz, T.W., Cronin, M.T.D. and Netzeva, T.I. 2003. The present status of QSAR in toxicology. Journal of Molecular Structure-THEOCHEM 622: 23-38.
Cronin, M.T.D. and Schultz, T.W. 2003. Pitfalls in QSARs. Journal of Molecular Structure-THEOCHEM 622: 39-52.
Dimitrov, S.D., Mekenyan, O.G., Sinks, G.D. and
Schultz, T.W. 2003. Global modeling of narcotic chemicals: Ciliate and fish toxicity. Journal of Molecular Structure-THEOCHEM 622: 63-70.
Cottrell, M.B. and Schultz, T.W. 2003. Structure-toxicity relationships for methyl esters of cyanoacetic acids to
Tetrahymena pyriformis. Bulletin of Environmental Contamination and Toxicology 70: 549-556.
Ren, S., Frymier, P.D. and Schultz, T.W. 2003. An exploratory study of using multivariate techniques to determine mechanism of toxic action. Ecotoxicology Environmental Safety 55: 86-97.
Toropov, A.A. and Schultz, T.W. 2003. Prediction of benzene aquatic toxicity: Use of optimization of correlation weights of local graph invariants. Journal of Chemical Information and Computer Science 43: 560-567.
Netzeva, T.I., Aptula, A.O., Chaudary, S.H., Duffy, J.C.,
Schultz, T.W., Schüürmann, G., Cronin, M.T.D. 2003. Structure-activity relationships for the toxicity of substituted poly-hydroxylated benzenes to
Tetrahymena pyriformis: Influence of free radical formation. Free Radical Research (in press).
Schultz, T.W. and Tucker, V.A. 2003. Structure-toxicity relationships for the effects of N- and N, N'-alkyl thioureas to
Tetrahymena pyriformis. Bulletin of Environmental Contamination and Toxicology 70: 1251-158.
Hamblen, E.L., Cronin, M.T.D. and
Schultz, T.W. 2003. Estrogenicity and acute toxicity of selected anilines using a recombinant yeast assay. Chemosphere 52: 1173-1181.
Dimitrov, S., Koleva, Y., Schultz , T.W., Walker, J.D. and Mekenyan, O. 2003. Interspecies QSAR model for aldehydes: Aquatic toxicity. Environmental Toxicology and Chemistry (in press).
Netzeva, T.I., Schultz, T.W., Aptula, A.O. and Cronin, M.T.D. 2003. PLS modelling of the acute toxicity of aliphatic compounds to
Tetrahymena pyriformis. SAR QSAR in Environmental Research (in press).
Saliner, A.G., Amat, L., Cabo-Dorca, R.,
Schultz, T.W. and Cronin, M.T.D. 2003. Molecular quantum similarity analysis of estrogenic activity. Journal of Chemical Information and Computer Science (in press).
Schultz, T.W. and Burgan, J.T. 2004. pH-stress and toxicity of nitrophenols to
Tetrahymena pyriformis. Bulletin of Environmental Contamination and Toxicology (in press).
Cronin, M.T.D., Sinks, G.D. and
Schultz, T.W. 2001. Modelling of toxicity to the ciliate
Tetrahymena pyriformis: the Aliphatic Carbonyl domain. In: Rainbow, P.S., Hopkin, S.P. and Crane, M. (eds).
Forecasting the Environmental Fate and Effects of Chemicals. John Wiley & Sons, Ltd. Chichester, UK pp. 113-124.
Schultz, T.W. and Sinks, G.D. 2003. Rules for predicting estrogenicity of biaromatic compounds evaluated using a recombinant yeast assay. In: Walker, J.D. (ed.)
Quantitative Structure-Activity Relationships in Environmental
Sciences-VIII. SETAC Press, Pensacola, FL, USA. (in press).
Schultz, T.W. and Mekenyan, O.G. 2003. Response-surface analyses: A comparison of two approaches to predicting acute toxicity. In: Walker, J.D. (ed.)
Quantitative Structure-Activity Relationships in Environmental Sciences-VIII. SETAC Press, Pensacola, FL, USA. (in press).
Cronin, M.T.D., Roberts, D.W., Sinks, G.D. and
Schultz, T.W. 2003. Response-surface analyses for the toxicity of selected nitrobenzenes and halogenated nitrogen heterocyclics to
Tetrahymena pyriformis. In: Walker, J.D. (ed.) Quantitative Structure-Activity Relationships in Environmental
Sciences-VIII. SETAC Press, Pensacola, FL, USA. (in press).
Walker, J.D., Comber, M.H.I.,
Schultz, T. W., Jaworska, J.S. and Dearden, J.C. 2003. Guidelines for developing and using quantitative structure activity relationships. In: Walker, J.D. (ed.)
QSARs for Pollution Prevention, Toxicity Screening, and Risk Assessment. SETAC Press, Pensacola, FL, USA (in press).
Bradbury, S.P., Russom, C.L., Ankley, G.T.,
Schultz, T.W. and Walker, J.D. 2003. Overview of data and conceptual approaches for derivation of QSARs for ecotoxicological effects of organic chemicals. In: Walker, J.D. (ed.)
QSARs for Pollution Prevention, Toxicity Screening, and Risk
Assessment. SETAC Press, Pensacola, FL, USA (in press).
Schultz, T.W. and Netzeva, T.I. 2003. Validation of the Benzene Response-Surface Model for
Tetrahymena Toxicity. In: Cronin M. and Livingston D. (eds), Modelling Environmental Fate and Toxicity. Taylor & Francis, London (in press).
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