Publications by Dr. Purcell

“Dielectric Relaxation Times and Structures of Some Nonrigid Molecules.”  Ph.D. Thesis, Princeton University, 1960.

Articles

  1. H.A. Pohl, R. Bacskai, and W.P. Purcell, “Steric Order and Dielectric Behavior in Polymethylmethacrylates,” Journal of Physical Chemistry, 64:1701-1705, 1960.

  2. W.P. Purcell and C.P. Smyth, “The Dielectric Relaxation of a Polyester of 1,2-Propylene Glycol and Adipic Acid in Solution,” Journal of Polymer Science 47:321-325, 1960.

  3. W.P. Purcell, K. Fish, and C.P. Smyth, “The Relaxation of the Methylene Chloride Group in Three Aromatic Molecules,” Journal of the American Chemical Society, 82:6299-6301, 1960.

  4. W.E. Vaughan, W.P. Purcell, and C.P. Smyth, “The Relaxation Times of Spherical Polar Molecules in Carbon Tetrachloride Solution,” Journal of the American Chemical Society, 83:571-576, 1961.

  5. W.P. Purcell and C.P. Smyth, “The Effect of Structural Factors upon Group Rotation in Some Aromatic Molecules,” Journal of the American Chemical Society, 83:1060-1063, 1961.

  6. W.P. Purcell and C.P. Smyth, “The Relaxation Times of Some Substituted Phenyl Ethers and Analogous Molecules,” Journal of the American Chemical Society, 83:1063-1066, 1961.

  7. W.P. Purcell, “Electric Moment Measurements of N-Alkyl Substituted Nicotinamides and Calculations of Aromatic Amide Group Moments,” Journal of Physical Chemistry, 68:2666-2670, 1964.

  8. W.P. Purcell, J.G. Beasley, and R.P. Quintana, “Electric Moments and Cholinesterase Inhibitory Properties of Selected N-Alkyl Substituted Amides,” Biochimica et Biophysica Acta, 88:233-235, 1964.

  9. W.P. Purcell and J.A. Singer, “Electric Moment of Isonicotinamide in Benzene and Dioxane Solutions,” Journal of Physical Chemistry, 69:691-693, 1965.

  10. W.P. Purcell, “Cholinesterase Inhibitory Prognoses of Thirty-Six Alkyl Substituted 3-Carbamoylpiperidines,” Biochimica et Biophysica Acta, 105:201-204, 1965.

  11. W.P. Purcell and J.A. Singer, “Benzene and Dioxane Electric Moments of N-Alkyl-Substituted Nicotinamides from the Measurements in Mixed Benzene-Dioxane Solutions,” Journal of Physical Chemistry, 69:4097-4101, 1965.

  12. W.P. Purcell, “Electronic Structures of Some N-Alkyl-Substituted Amides of Interest as Cholinesterase Inhibitors,” Journal of Medicinal Chemistry, 9:294-297, 1966.

  13. W.P. Purcell, J.G. Beasley, R.P. Quintana, and J.A. Singer, “Application of Partition Coefficients, Electric Moments, Electronic Structures, and Free Energy Relationships to the Interpretation of Cholinesterase Inhibition,” Journal of Medicinal Chemistry, 9:297-303, 1966.

  14. W.P. Purcell and J.A. Singer, “Electric Dipole Moments of N-Alkyl-Nipecotamides for Measurements in Benzene Solution,” Journal of the Chemical Society, Section A:1431-1434, 1966.

  15. W.P. Purcell and J.A. Singer, “A Brief Review and Table of Semiempirical Parameters Used in the Huckel Molecular Orbital Method,” Journal of Chemical and Engineering Data, 12:235-246, 1967.

  16. W.R. Smithfield and W.P. Purcell, “Application of Regression Analysis to Hypoglycemic Activities of 12 Piperidinesulfamylsemicarbazides and Activity Predictions for 12 Analogs,” Journal of Pharmaceutical Sciences, 56:577-579, 1967.

  17. J.A. Singer , W.P. Purcell, and C.C. Thompson, “Structure and Properties of Sulfones, I. Electric Moment of 4,4´-Diaminodiphenyl Sulfone,” Journal of Medicinal Chemistry, 10:528-529, 1967.

  18. J.A. Singer and W.P. Purcell, “Huckel Molecular Orbital Calculations for Some Antimalarial Drugs and Related Molecules,” Journal of Medicinal Chemistry, 10:754-762, 1967.

  19. J.A. Singer and W.P. Purcell, “Relationships among Current Quantitative Structure-Activity Models,” Journal of Medicinal Chemistry, 10:1000-1002, 1967.

  20. J.A. Singer and W.P. Purcell, “Electronic and Molecular Structure of Selected Unsubstituted and Dimethyl Amides from Measurements of Electric Moments and Nuclear Magnetic Resonance,” Journal of Physical Chemistry, 71:4316-4319, 1967.

  21. W.P. Purcell and J.M. Clayton, “Application of Regression Analyses to Antitumor Activities of Various Acetylenic Carbamates,” Journal of Medicinal Chemistry, 11:199-203, 1968.

  22. K. Sundaram and W.P. Purcell, “Molecular-Orbital Calculations on Some Mesoionic Compounds,” International Journal of Quantum Chemistry, 11:145-157, 1968.

  23. W.P. Purcell and J.G. Beasley, “The Nature of Inhibitor Binding Sites in Butyrylcholinesterase,” Molecular Pharmacology, 4:404-406, 1968.

  24. W.P. Purcell and K. Sundaram, “Electronic Structure, Antimalarial Activity, and Phototoxicity of Selected Quinolinemethanol Derivatives and Analogs,” Journal of Medicinal Chemistry, 12:18-21, 1969.

  25. J.G. Beasley and W.P. Purcell, “An Example of Successful Prediction of Cholinesterase Inhibitory Potency From Regression Analysis,” Biochim Biophys Acta, 178:175-176, 1969.

  26. J.M. Clayton and W.P. Purcell, “Hansch and Free-Wilson Analyses of Inhibitory Potencies of Some 1-Decyl-3 Carbamoyliperidines against Butyrylcholinesterase and Comparison of the Two Methods,” Journal of Medicinal Chemistry, 12:1087-1088, 1969.

  27. D.R. Hudson, G.E. Bass, and  W.P. Purcell, “Quantitative Structure-Activity Models: Some Conditions for Application and Statistical Interpretation,” Journal of Medicinal Chemistry, 13:1184-1189, 1970.

  28. W.P. Purcell, et al., “Quantitative Structure-Activity Relationships and Molecular Orbitals in Medicinal Chemistry,” In: Medicinal Chemistry, Burger, Wiley, 164-192, 1970.

  29. G.E. Bass, D.R. Hudson, J.W. Parker, and W.P. Purcell, “Mechanism of Antimalarial Activity of Chloroquine Analogs from Quantitative Structure-Activity Studies:  Free Energy-Related Model,” Journal of Medicinal Chemistry, 14:275-283, 1971.

  30. K. Sundaram and W.P. Purcell, “Theoretical Study of a 1:1 Complex between Quinone and Hydroquinone,” International Journal of Quantum Chemistry, 5:101-110, 1971.

  31. P.N. Craig, C. Hansch, J.W. McFarland, Y.D. Martin, W.P. Purcell, and R. Zahradnik, “Minimal Statistical Data for Structure-Function Correlations,” Journal of Medicinal Chemistry, 14:447, 1971.

  32. O.E. Millner, Jr. and W.P. Purcell, “Comparisons of Butyrylcholinesterase Inhibitory Potencies of Selected 3-Substituted-1-Decylpiperidines with Their Electron Charge Densities,” Journal of Medicinal Chemistry, 14:1134-1136, 1971.

  33. W.H. Lawrence, W.P. Purcell, G.E. Bass, and J. Autian, “Use of Mathematical Models in the Study of Structure-Toxicity Relationships of Dental Compounds 1: Esters of Acrylic and Methacrylic Acids,” Journal of Dental Research, 51:526-535, 1972.

  34. J.M. Clayton, G.E. Bass, W.P. Purcell, and C.C. Thompson, “Comparison between the Theoretical and Experimental Electric Dipole Moments of Selected N,N-Dimethylaniline Derivatives,” Journal of Pharmaceutical Sciences, 63:230-234, 1974.

  35. O.E. Millner, Jr., J.W. Stanley, and W.P. Purcell, “The Synthesis and Enzymatic Evaluation of Pyridostigmine Analogs used to Probe the Active Sites of Acetylcholinesterase and Butyrylcholinesterase,” Journal of Medicinal Chemistry, 17:13-18, 1974.

  36. G.E. Bass, W.H. Lawrence, W.P. Purcell, and J. Autian, “Further Evaluation of a Quantitative Mathematical Model for Predicting Acute Toxicity of Acrylate and Methacrylate Esters,” Journal of Dental Research, 53:756, 1974.

  37. W.P. Purcell, “Structure-Activity Techniques in the Treatment of Antitumor Drug Data,” Cancer Chemotherapy Reports, Part 2, 4(4):41, 1974.

  38. W.P. Purcell, “Quantitative Structure-Activity Relationships of Psychotropic Agents,” International Journal of Quantum Chemistry, 2:191-196, 1975.

  39. W.P. Purcell, “Some Guidelines for the Application of Quantitative Structure-Activity Relationships in Drug Design,” Eur J Med Chem, 10:335-339, 1975.

  40. O.E. Millner, Jr. and W.P. Purcell, “Partition Coefficients of Selected Pyridine Carbamates and Comparisons with Their Acetylcholinesterase and Butyrylcholinesterase Inhibitory Potencies,” Journal of Pharmaceutical Sciences, 65:910-912, 1976.

  41. L.K. Gibbons, E.F. Koldenhoven, A.A. Nethery, R.E. Montgomery, and W.P. Purcell, “Quantitative Structure-Activity Relationships among Selected Pyrimidinones and Hill Reaction Inhibition,” Journal of Agricultural and Food Chemistry, 24(2):203-206, 1976.

  42. R.D. Gilliom, T.R. Bosin, P.Chiu, and W.P. Purcell, “Quantitative Structure-Activity Relationships of Biologically Active Indole, 1-Methylindole and Benzo(b)thiophene Derivatives,” European Journal of Medicinal Chemistry, 12:183-186, 1977.

  43. R.D. Gilliom, W.P. Purcell, and T.R. Bosin, “Sequential Simplex Optimization Applied Drug Design in the Indole, 1-Methylindole and Benzo(b)thiophene Series,” European Journal of Medicinal Chemistry, 12:187-192, 1977.

  44. W.P. Purcell, “The Design of Molecules for Biology: Atomic Architecture,” Chimia, 31:482-483, 1977.

  45. B. Testa, J.C. Bünzli, and W.P. Purcell, “Regioelectronic Factors in Metabolic Hydroxylation of Aliphatic Carbon Atoms,” Journal of Theoretical Biology, 70:339-344, 1978.

  46. B. Testa and W.P. Purcell, “A QSAR Study of Sulfonamide Binding to Carbonic Anhydrase as Test of Steric Models,” European Journal of Medicinal Chemistry, 13:509-514, 1978.

  47. W.P. Purcell, “Techniques for Selecting Substituent Groups for Molecular Modification in Drug Design,” II Farmco – Scientific Edition, 34:178-182, 1979.

  48. H.A. Parish, R.D. Gilliom, W.P. Purcell, R.K. Browne, R.F. Spirk, and H.D. White, “Synthesis and Diuretic Activity of Eleven New Aromatic Sulfonamides,” European Journal of Medicinal Chemistry, 15:386, 1980.

  49. L.J. Schaad, B.A. Hess, W.P. Purcell, A. Cammarata, R. Franke,  and H. Kubinyi, “The Compatibility of the Free-Wilson and Hansch Quantitative Structure-Activity Relations,” Journal of  Medicinal  Chemistry, 24:900-901, 1981.

  50. H.A. Parish, R.D. Gilliom, W.P. Purcell, R.K. Browne, R.F. Spirk,  and H.D. White,  “Synthesis and Diuretic Activity of 1,2-Dihydro-2-(3-Pyridyl)-3H-Pyrido [2,3-d]Pyrimidin-4-One and Related Compounds,” Journal of Medicinal Chemistry, 25:93-102, 1982.

  51. R.D. Gilliom, J.P. Beck,  and W.P. Purcell,  “An MNDO Treatment of Sigma Values,” Journal of Computational Chemistry, 6:437-440, 1985.

  52. R. Gollamudi, Z. Feng, E.O. Dillingham, S.E. Bond, B.A. Lyman,  and W.P. Purcell,  “Stereoselective Inhibition of Human Platelet Aggregation by a Carbamoylpiperidine,” Medicinal  Chemistry Research, 1:342-352, 1991.

  53. R. Kaliszan, A. Kaliszan, T.A.G. Noctor, W.P. Purcell,  and I.W. Wainer,  “Mechanisms of Retention of Benzodiazepines in Affinity, Reversed-Phase and Adsorption High-Performance Liquid Chromatography in View of Quantitative Structure-Retention Relationships,” Journal of  Chromatography,  609:69-81, 1992.

  54. Z. Feng, R. Gollamudi, E.O. Dillingham, S.E. Bond, B.A. Lyman, W.P. Purcell, R.J. Hill,  and W.A. Korfmacher, “Molecular Determinants of the Platelet Aggregation-Inhibitory Activity of Carbomoylpiperidines,” Journal of Medicinal Chemistry, 35:2952-2958, 1992.

  55. K. Chung, L. Kirkovsky, A. Kirkovsky, W.P. Purcell, “Review of Mutagenicity of Moncyclic Aromatic Amines: Quantitative Structure-activity Relationships,” Mutation Research, 387 (1997) 1-16.

Book

W.P. Purcell, G.E. Bass,  and J.M. Clayton, Strategy of Drug Design: A Molecular Guide to Biological Activity, John Wiley and Sons, Inc., New York, 1973.

Book Chapters

  1. W.P. Purcell, “Application of Partition Coefficients, Electric Moments, Electronic Structures, and Regression Analyses to the Interpretation of Cholinesterase Inhibition,” in Proceedings of the Conference on Structures and Reactions of DFP Sensitive Enzymes, edited by Edith Heilbronn, Swedish Research Institute of National Defense, Stockholm, 97-102, 1967.

  2. W.P. Purcell and J. M. Clayton, “Physicochemical Parameters in Drug Design,” in Annual Reports in Medicinal Chemistry, 1968, edited by C.K. Cain, Academic Press, New York, 314-321, 1969

  3. W.P. Purcell, J.A. Singer, K. Sundaram, and G.L. Parks, “Quantitative Structure-Activity Relationships and Molecular Orbitals in Medicinal Chemistry,” in Medicinal Chemistry, 3rd ed., edited by A. Burger, John Wiley and Sons, Inc., New York, Vol. 1, 196-192, 1970.

  4. J.M. Clayton, O.E. Millner, Jr., and W.P. Purcell, “Physicochemical Parameters in Drug Design,” in Annual Reports in Medicinal Chemistry, 1969, edited by C.K. Cain, Academic Press, New York, 285-295, 1970.

  5. W.P. Purcell and J.M. Clayton, “Quantitative Structure-Activity Relationships and Molecular Orbitals in Medicinal Chemistry,” in Molecular Orbital Studies in Chemical Pharmacology, edited by L. Kier, Springer-Verlag, New York, 1970.

  6. G.E. Bass, D.R. Hudson, J.E. Parker, and W.P. Purcell, “Interpretation of Antimalarial Activity in Terms of Regression Analyses, Molecular Orbital Calculations, and Theory of DNA-Drug Binding,” in Progress in Molecular and Subcellular Biology, Springer-Verlag, Berlin, Germany, 126-133, 1971.

  7. J.M. Clayton and W.P. Purcell, “Physicochemical Approaches to Drug Design,” in Drug Discovery, Science & Development in a Changing Society, Advances in Chemistry Series, No. 108, American Chemical Society, Washington, D.C., 123-140, 1971.

  8. J.C. Joyner and W.P. Purcell, “Quantum Pharmacology and Quantitative Structure-Activity Relationships: A Brief Review,” in Proceedings of the Conference on Chemical Structure Biological Activity Relationships: Quantitative Approaches, Prague, Czechoslovakia, Akademiai Kiado Press, Budapest, Hungary, 13-23, 1973.

  9. W.P. Purcell, “Quantitative Structure-Activity Relationships: An Approach to Drug Design,” in Molecular and Quantum Pharmacology, edited by E. Bergmann and B. Pullman, D. Reidel Publishing Company, Dordrecht, Holland, 37-41, 1974.

  10. W.P. Purcell, “Strategy of Drug Design,” Drug Receptor Interactions in Antimicrobial Chemotherapy, Proceedings of the Sandoz Symposium, Springer-Verlag, Vienna, Austria, 15-24, 1974.

  11. W.P. Purcell and B. Testa, “The Development of Bioactive Compounds: A Multi-Disciplinary Approach,” in Biological Activity and Chemical Structure, edited by W.Th. Nauta and R.F. Rekker, Elsevier Scientific Publishing Company, Amsterdam, 269-278, 1977.

  12. W.P. Purcell, “Quantitative Structure-Mutagenicity Relationships,” in Structure-Activity Correlation as a Predictive Tool in Toxicology: Fundamentals, Methods, and Applications, edited by Leon Goldberg, Chemical Industry Institute of Toxicology Series, Hemisphere Publishing Corporation, New York, and McGraw-Hill International Book Company, 221-228, 1983.

  13. W.P. Purcell, “New Mathematical Approaches to QSAR,” in Design of Bioactive Compounds, edited by M. Kuchar, J.R. Prous International, Section IV, 289-458, 1984.

Book Reviews

  1. “Molecular Orbital Theory in Drug Research,” (Medicinal Chemistry, vol. 10), by Lemont B. Kier, Academic Press, New York, NY, 1971.  Journal of Medicinal Chemistry 14:1249, 1971.

  1. “Quantitative Drug Design: A Critical Introduction,” Yvonne C. Martin, Marcel Dekker, Inc., New York, 1978.  Journal of Pharmaceutical Sciences 68:131, 1979.

  1. “Computer Assisted Studies of Chemical Structure and Biological Function,” edited by Andrew J. Stuper, William E. Brugger, and Peter C. Jurs, Wiley, New York, 1979.  Journal of Medicinal Chemistry 22:1280, 1979.

  1. “Strategy in Drug Research,” Proceedings of the Second IUPAC-IUPHAR Symposium.  J.A. Keverling Buisman, Editor, Elsevier, Amsterdam/New York, 1982.  Pesticide Biochemistry and Physiology 19:222-223, 1983.

Abstracts

  1. W.P. Purcell, “Applications of Molecular Electron Charge Distribution to Fundamental Concepts of Structure-Activity Relationships,” Southern Chemist Program Issue, Southeast-Southwest Regional Meeting of the American Chemical Society, Memphis, Tennessee, November, 1965.

  2. W.P. Purcell, “Progress in Developing Quantitative Structure-Activity Models,” Recent Advances in Medicinal Chemistry, Southeastern Regional Meeting of the American Chemical Society, Richmond, Virginia, November 1969.

  3. J.M. Clayton and W.P. Purcell, “Physicochemical Approaches to Drug Design,” 160th National Meeting of the American Chemical Society, Chicago, Illinois, September, 1970, Medicinal Chemistry No. 25.

  4. W.H. Lawrence, G.E. Bass, W.P. Purcell, and J. Autian, “Utilization of Mathematical Models in the Study of Structure-Toxicity Relationships of Dental Compounds,” presented in part at the American Association for the Advancement of Science Meeting, Chicago, Illinois, December 26-31, 1970.

  5. J.M. Clayton and W.P. Purcell, “Experimental Electric Dipole Moments of Selected N,N-Dimethylaniline Derivatives and Comparison with Values Calculated from Molecular Orbital approximations,” 160th National Meeting of the American Chemical Society, Chicago, Illinois, September 1970, Physical Chemistry No. 196.

  6. J.M. Clayton, G.E. Bass, and W.P. Purcell, “A Comparison between the Theoretical and Experimental Electric Dipole Moments of Selected N,N-Dimethylaniline Derivatives,” Abstracts of Papers, 161st National Meeting of the American Chemical Society, Los Angeles, California, March, 1971, Physical Chemistry No. 15.

  7. W.P. Purcell, “Quantitative Structure-Activity Relationships in Drug Design,” Symposium on Physicochemical Parameters in Drug Design, Third Central Regional Meeting of the American Chemical Society, Cincinnati, Ohio, June, 1971.

  8. W.P. Purcell and J.M. Clayton, “An Example of the Application of Quantitative Structure-Activity Relationship Models,” 3rd International Symposium on Medicinal Chemistry, International Union of Pure and Applied Chemistry, Milan, Italy, September 13-15, 1972.

  9. W.P. Purcell, “Strategy of Drug Design,” XIe Recontres Internationales de Chimie Therapeutique, Universite dé Montpellier, Montpellier, France, September 10-12, 1975.

  10. W.P. Purcell, T.B. Bosin, and R.D. Gilliom, “Quantitative Structure-Activity Relationships of Biologically Active Indole, 1-Methylindole, and Benzo(b)thiophene Derivatives,” 27th Southeast-31st Southwest Regional Meeting of the American Chemical Society, Memphis, TN, October, 1975.

  11. I.W. Wainer, J.P. Jadaud, C.W. Naeve, and W.P. Purcell, “The Use of Immobilized Biopolymers as Probes of Biological Properties,” 13th International Symposium on Column Liquid Chromatography, Stockholm, June, 1989.

  12. R. Kaliszan, T.A.G. Noctor, W.P. Purcell, and I.W. Wainer, “Chiral and Achiral Aspects of Quantitative Structure-Retention Relationships o a Human Serum Albumin Based HPLC Column,” 16th International Symposium of Chromatography, Baltimore, Maryland, June, 1992.

  13. R. Kaliszan, A. Kaliszan, T.A.G. Noctor, W.P. Purcell, and I.W. Wainer, “Mechanism of Retention of Benozodiazepines in Affinity, Reversed-Phase and Adsorption High-Performance Liquid Chromatography in View of QSAR, “ 9th European Symposium on Structure-Activity Relationships: QSAR and Molecular Modeling, Strasbourg, France, September, 1992.

  14. Z. Feng, R. Gollamudi, E.O. Dillingham, S.E. Bond, B.A. Lyman, W.P. Purcell, and R.J. Hill, “Molecular Determinants of the Platelet Aggregation-Inhibitory Activity of Carbamoylpiperidines,” 9th European Symposium on Structure-Activity Relationships: QSAR and Molecular Modeling, Strasbourg, France, September, 1992.

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