Simon Fraser University
Wolfe
pic of wolfe

Saul Wolfe

 

FCIC FRSC
University Professor Emeritus

Ph.D. - University of Ottawa 1955-1957summa cum laude 1957
Postdoctoral Fellow - NRC, Weizmann Institute of Science 1957-1959

Room C8070
778-782-5972 (office)
778-782-5973 (fax)

swolfe@sfu.ca

Wolfe Website

Field of Chemistry - Bioorganic chemistry, biotechnology, theoretical organic chemistry and organic reaction mechanisms.

 

 

Description of Research.

Bioorganic chemistry, biotechnology, theoretical organic chemistry and organic reaction mechanisms: chemical, biomimetic, biosynthetic, microbiological and molecular mechanics studies on b -lactam compounds and b -lactam surrogates; organic synthesis using cell-free systems derived from bacteria; peptide synthesis and biosynthesis; stereochemistry, with special reference to ab initio and perturbational molecular orbital calculations of structure and reactivity, and molecular mechanics calculations on peptides and drug-receptor interactions; mechanisms of abnormal oxidation reactions; sulphur chemistry and biochemistry; nmr spectra of nuclei other than carbon and hydrogen; molecular modeling of anticonvulsant drugs; origin and interpretation of isotope effects; drug design and development.

Fellowships and Awards

 

Riverdale Collegiate War Memorial Scholarship, 1950.
University of Toronto Bursaries 1950-1954.
Chemical Institute of Canada Prize 1953.
Research Council of Ontario Scholarship 1954-1955.
National Research Council of Canada Scholarship 1955-1957.
NRC Postdoctoral Overseas Fellowship 1957-1959.
Fellow of the Chemical Institute of Canada 1966.
Merck Sharp and Dohme Award of the Chemical Institute of Canada 1972.
Pacific Northwest Lecturer 1972.
Chemical Society of France Lecturer 1972.
FMC Lecturer, Princeton University 1975.
JSPS Lecturer, Japan 1979.
Van Cleave Lecturer, University of Regina 1982.
Chemical Society of Italy Lecturer 1982.
Research Triangle Lecturer 1982.
Fellow of the Royal Society of Canada 1983.
Queen's University Prize for Excellence in Research 1984.
Bard College Distinguished Lecturer 1990.
Canada Council Killam Research Fellow 1990-1992.
First R.U. Lemieux Award of the Canadian Society for Chemistry 1992.
KOSEF Lecturer, Korea 1992.
First Wenger Visitor, Haifa Technion, 1997.

Major Lectures

 

Symposium on Oxidation-Reduction, Guelph University 1966.
Medicinal Chemistry Division, Chemical Institute of Canada 1969.
X th Meeting of Group d'Etudes de Chimie Organique, France 1969.
National Meeting of the Israel Chemical Society, Jerusalem 1969.
Atlantic Conference, Chemical Institute of Canada 1970.
IV Symposium on Sulfur, Venice 1970.
l st CECAM Colloquium on Conformational Analysis, Paris 1970.
National Conference of the Chemical Institute of Canada 1973.
Gordon Research Conference on Carbohydrate Chemistry 1973.
9 th IUPAC Symposium on Natural Product Chemistry, Ottawa 1974.
James Flack Norris Award Symposium, National Meeting of the
American Chemical Society, Philadelphia 1975.
Symposium on Stereochemistry at Non-Metal Centres, Philadelphia 1975.
First Chemical Congress of the North American Continent, Mexico City 1975. Middle Atlantic Regional Meeting of the American Chemical Society, Philadelphia 1976.
IUPAC Symposium on Low Molecular Weight Sulfur-Containing Natural Products, Warsaw 1976.
VII International Symposium on Sulfur, Hamburg 1976.
Joint ACS/CIC Symposium on the Anomeric Effect 1977.
Physical Organic Chemistry Symposium, Guelph University 1977.
46 th Congres de l'Association Canadienne-Francaise pour l'Avancement des Sciences, Ottawa 1978.
Symposium on Sulfur and Phosphorus, Kyoto 1979.
International Symposium on Carbohydrates and Antibiotics, Edmonton 1980.
28 th IUPAC Congress, Vancouver 1981.
Physical Organic Chemistry Symposium, Toronto 1981.
National Conference of the Chemical Institute of Canada, Toronto 1982.
IV IUPAC Symposium on Organic Synthesis, Tokyo 1982.
International Symposium on the Chemistry of Sulfur and Phosphorous, Tsukuba, Japan, 1982.
Tenth International Symposium on the Organic Chemistry of Sulphur, Bangor, N. Wales 1982.
Physical Organic Chemistry Symposium, Montreal 1982.
CAN-AM Congress, Montreal 1984.
Nobel Laureate Symposium on Applied Quantum Chemistry, Honolulu 1984. International Symposium on the Chemistry of Natural Products, Edmonton 1985. American Chemical Society Symposium on Nucleophilicity,Chicago 1985.
8 th IUPAC Conference on Physical Organic Chemistry, Tokyo 1986.
3 rd International Seminar on Biosynthesis, Banff 1987.
National Meeting of the Chemical Institute of Canada, Quebec City 1987.
CHEM ED '87, Kingston 1987.
Symposium on "State of the Science", Halifax 1989.
National Conference of the Chemical Institute of Canada, Victoria 1989.
National Conference of the Chemical Institute of Canada, Halifax 1990.
IUPAC Symposium on Physical Organic Chemistry, Haifa 1990.
EUCHEM Conference on Theoretical Chemistry and Organic Synthesis, Avignon , France 1990.
Symposium on Challenges in Computational Chemistry, North Carolina 1990. Lemieux Award Symposium, Edmonton 1992.
Physical Organic Chemistry Conference, Chinju, Korea, 1992.
Gordon Research Conference on Isotopes in the Medical and Biological Sciences, 1994.
IUPAC Conference on New Aspects in the Chemistry of Reactive
Intermediates, Tsukuba, Japan, 1996.
13 th IUPAC Conference on Physical Organic Chemistry, Inchon, Korea, 1996. Symposium on Applied Quantum Chemistry, V Chemical Congress of the
North American Continent, Cancun, Mexico, 1997.
7 th Eurasia Conference on Chemical Sciences, Karachi, 2001.
2 nd International Albert Szent-Györgi Symposium, Szeged, Hungary, 2005.

 

 

Publications

  1. A.G. Brook and S. Wolfe. The reaction of triphenylsilylpotassium with organic halides. A case of halogen-metal interconversion. J. Am. Chem. Soc. 79, 1431-1437 (1957).
  2. S. Wolfe, M. Nussim, Y. Mazur and F. Sondheimer. A convenient modification of the Brown hydration reaction. Hydration of unsaturated steroids. J. Org. Chem. 24, 1034 (1959).
  3. F. Sondheimer and S. Wolfe. Syntheses in the terpene series. Synthesis of the cis and trans isomers of 7,7,10-trimethyldecal- 1-one. Can. J. Chem. 37, 1870-1880 (1959).
  4. A. Gourevitch, J. Lein and S. Wolfe. Effects of side chain configuration on the biological activity of certain penicillins. Antimicrob. Agts. Chemother. 576-580 (1961).
  5. S. Wolfe, J.C. Godfrey, C.T. Holdrege and Y.G. Perron. Anhydropenicillins. A novel rearrangement of the thiazolidine ring. J. Am. Chem. Soc. 85, 643-644 (1963).
  6. W.A. Szarek, S. Wolfe and J.K.N. Jones. Hindered internal rotation in carbohydrates containing nitrogen in the ring. Tetrahedron Lett. 2743-2750 (1964).
  7. A. Rauk, E. Buncel, R.Y. Moir and S. Wolfe. Hydrogen exchange in benzyl methyl sulfoxide. Kinetic and spectroscopic non-equivalence of methylene protons. J. Am. Chem. Soc. 87, 5498-5500 (1965).
  8. S. Wolfe and P.G.C. Campbell. Cyclohexene-3,3,6,6-d 4. A useful compound for the study of mechanism and structure. Can. J. Chem. 43, 1184-1198 (1965).
  9. S. Wolfe and A. Rauk. A convenient method for the preparation of optically active benzyl- a -d-alcohol. Can. J. Chem. 44, 2591-2593 (1966).
  10. S. Wolfe and A. Rauk. The absolute stereochemistry of hydrogen exchange in benzyl methyl sulfoxide. Chem. Comm. 778-780 (1966).
  11. J.R. Campbell, J.K.N. Jones and S. Wolfe. A one step conversion of cyclohexene oxide into cis-1,2-dichlorocyclohexane. Can J. Chem. 44, 2339-2342 (1966).
  12. S. Wolfe, P.G.C. Campbell and G.E. Palmer. Allylic acetoxylation by mercuric acetate. Organic chemical and isotopic labelling experiments. Tetrahedron. Lett. 4203-4209 (1966).
  13. S. Wolfe, F.I. Wasson and S.K. Hasan. Five-membered rings. I. The reaction of 2-methyloxazoline with phthalimidoacetyl chloride. Can. J. Chem. 45, 2000-2002 (1967).
  14. S. Wolfe and J.R. Campbell. Atropisomerism of cyclohexane compounds. J. Chem. Soc. D. 874-876 (1967).
  15. S. Wolfe and J.R. Campbell. A method for determination of 1,3- diaxial interactions. J. Chem. Soc. D. 877-878 (1967).
  16. S. Wolfe and J.R. Campbell. The nature of the constraining effect of a t-butyl group upon some cyclohexane compounds. J. Chem. Soc. D. 872-873 (1967).
  17. S. Wolfe and D.V.C. Awang. Allylic bromination by N-bromoacetamide. A reexamination. J. Am. Chem. Soc. 89, 5287-5288 (1967).
  18. S. Wolfe, A. Rauk and I.G. Csizmadia. Non-empirical molecular orbital calculations on an α-sulfinylcarbanion. J. Am. Chem. Soc. 89, 5710-5712 (1967).
  19. S. Wolfe. Two general intermediates for the synthesis of anhydropenicillins. Can. J. Chem. 46, 459-461 (1968).
  20. S. Wolfe and W.S. Lee. A ready C6-epimerization of the penicillin nucleus. J. Chem. Soc. D. 242-244 (1968).
  21. S. Wolfe, J.C. Godfrey, C.T. Holdrege and Y.G. Perron. Rearrangement of penicillins to anhydropenicillins. Can J. Chem. 46, 2549-2559 (1968).
  22. S. Wolfe, W.S. Lee and J.R. Campbell. Convenient synthesis of t-butyl alcohol-d. Can. J. Chem. 46, 3402-3403 (1968).
  23. D.V.C. Awang and S. Wolfe. Pyrrolidone hydrotribromide. A brominating agent with selectivity for ketones. Can. J. Chem. 47, 706-709 (1969).
  24. A. Rauk, S. Wolfe and I.G. Csizmadia. A quantum mechanical study of proton exchange in sulfoxides with retention and inversion of configuration. Can. J. Chem. 47, 113-135 (1969).
  25. S. Wolfe, A. Rauk and I.G. Csizmadia. The structure of an a -sulfonylcarbanion. J. Am. Chem. Soc. 91, 1567-1569 (1969).
  26. S. Wolfe, C. Ferrari and W.S. Lee. Mercuric acetate oxidation of an anhydropenicillin. Anhydro- a -phenoxyethyl-penicillene, a novel antibacterial agent. Tetrahedron Lett. 3385-3388 (1969).
  27. S. Wolfe, R.N. Basset, S.M. Caldwell and F.I. Wasson. Reversal of the anhydropenicillin rearrangement. J. Am. Chem. Soc. 91, 7205-7207 (1969).
  28. H. Alper, P.C. LePort and S. Wolfe. Mechanism of formation of conjugated diene-iron tricarbonyl complexes from non-conjugated dienes. J. Am. Chem. Soc. 91, 7553 (1969).
  29. S. Wolfe and P.G.C. Campbell. Oxidation of cyclohexene by Pd(II) salts. Proc. XII Intl. Conf. Coord. Chem. 54 (1969).
  30. S. Wolfe, A. Rauk, L.M. Tel and I.G. Csizmadia. On stabilization of pyramidal carbanionic centres by an adjacent sulphur 3d-orbital. J. Chem. Soc. D. 96-98 (1970).
  31. S. Safe, W.D. Jamieson, W.R. Pilgrim and S. Wolfe. Electron impact-induced rearrangements of substituted 1-phenylpropynes. Can. J. Chem. 48, 1171-1174 (1970).
  32. S. Wolfe and S.K. Hasan. b-elimination as a general process in penicillin chemistry. The stereochemistry and mechanism of Raney nickel desulphurization of penicillin G and penicillin V. J. Chem. Soc. D. 833-835 (1970).
  33. S. Wolfe, W.S. Lee and R. Misra. On the conditions for C6 epimerization of the penicillin nucleus by a b -elimination mechanism. J. Chem. Soc. D. 1067-1068 (1970).
  34. S. Wolfe and S.K. Hasan. Structure of a diazecine derivative from the condensation of phthaloyl chloride with ethylenediamine. Can. J. Chem. 48, 3566-3571 (1970).
  35. S. Wolfe and S.K. Hasan. Five-membered rings. II. Inter and intramolecular reactions of simple amines with N-substituted phthalimides. Methylamine as a reagent for removal of a phthaloyl group from nitrogen. Can. J. Chem. 48, 3572-3579 (1970).
  36. S. Wolfe, S.K. Hasan and J.R. Campbell. Ruthenium trichloride catalyzed hypochlorite oxidation of organic compounds. J. Chem. Soc. D. 1420-1421 (1970).
  37. S. Wolfe, A, Rauk, L.M. Tel and I.G. Csizmadia. A theoretical study of the Edward-Lemieux effect (the anomeric effect). The stereochemical requirements of adjacent electron pairs and polar bonds. J. Chem. Soc. B. 136-145 (1971).
  38. S. Wolfe and P.G.C. Campbell. Allylic and homoallylic oxidation of cyclohexene and cyclohexene-3,3,6,6-d 4 by Pd(II) salts. Evidence for competing symmetrical and oxypalladation intermediates. J. Am. Chem. Soc. 93, 1497-1499 (1971).
  39. S. Wolfe and P.G.C. Campbell. Allylic and homoallylic oxidation of cyclohexene by Pd(II) salts. Solvolytic behavior of possible organopalladium intermediates. J. Am. Chem. Soc. 93, 1499-1501 (1971).
  40. S. Wolfe, W.R. Pilgrim, T.F. Garrard and P. Chamberlain. N-Bromo- succinimide-induced dimethyl sulfoxide oxidation of acetylenes. Can. J. Chem. 49, 1099-1105 (1971).
  41. S. Wolfe and D.V.C. Awang. On the reaction of N-bromoacetamide with with olefins. Preparation and chemistry of 2-bromo-N-bromo- acetimidates, a new class of compounds. Can. J. Chem. 49, 1384-1400 (1971).
  42. S. Wolfe. The gauche effect. Some stereochemical consequences of adjacent electron pairs and polar bonds. Accounts Chem. Res. 5, 102-111 (1972).
  43. S. Wolfe, L.M. Tel, J.H. Liang and I.G. Csizmadia. The stereochemical consequences of adjacent electron pairs. A theoretical study of rotation-inversion in ethylenedicarbanion. J. Am. Chem. Soc. 95, 1361-1364 (1972).
  44. S. Wolfe, W.S. Lee, G. Kannengiesser and J.B. Ducep. Sulfur-free penicillin derivatives. I. Functionalization at C5. Can. J. Chem. 50, 2894-2897 (1972).
  45. S. Wolfe, W.S. Lee, J.B. Ducep and G. Kannengiesser. Sulfur-free penicillin derivatives. II. Functionalization of the methyl groups. Can. J. Chem. 50, 2898-2902 (1972).
  46. S. Wolfe, J.B. Ducep, G. Kannengiesser and W.S. Lee. Sulfur-free penicillin derivatives. III. Regeneration of fused b -lactams by intramolecular displacement. Can. J. Chem. 50, 2902-2905 (1972)
  47. M.C. Roux-Schmitt, J. Seyden-Penne and S. Wolfe. Stereochemistry of the aldol condensation of benzaldehydes with a -chloro esters. An example of the gauche effect of adjacent polar bonds. Tetrahedron. Tetrahedron 28, 4965-4979 (1972).
  48. I.G. Csizmadia, A.H. Cowley, M.W. Taylor, L.M. Tel and S. Wolfe. Ab initio molecular orbital calculations on H 2NPH 2. The stereochemistry at nitrogen. Chem. Comm. 1147-1148 (1972)
  49. L.M. Tel, S. Wolfe and I.G. Csizmadia. Near molecular Hartree-Fock wavefunctions for CH 3O -, CH 3OH and CH 3OH 2 +. J. Chem. Phys. 59, 4047-4060 (1973).
  50. L.M. Tel, S. Wolfe and I.G Csizmadia. A comparative quantum chemical study of ethylcarbonium ion and hydroxymethylcarbonium ion. Int. J. Quant. Chem. 7, 475-490 (1973).
  51. S. Wolfe, L.M Tel and I.G. Csizmadia. The gauche effect. A study of localized molecular orbitals and excited state geometries in FCH 2OH. J. Am. Chem. Soc. 95, 4863-4870 (1973).
  52. S. Wolfe, L.M. Tel and I.G. Csizmadia. The gauche effect. A theoretical study of the degenerate racemization and tautomerization of methoxide ion tautomer. Can. J. Chem. 51, 2423-2432 (1973).
  53. S. Wolfe, L.M. Tel and I.G. Csizmadia. Gas phase acidities of CH bonds adjacent to oxygen and to sulphur. Theor. Chim. Acta. 31, 355-358 (1973).
  54. S. Wolfe and M.P. Goeldner. Derives non-soufres de penicillines. IV. Synthese d'alkyloxy-2 et d'acyloxy-2-azetidinones. Tetrahedron Lett. 5131-5134 (1973).
  55. I.G. Csizmadia, A.H. Cowley, M.W. Taylor and S. Wolfe. Ab initio molecular orbital calculations on aminophosphine, H 2NPH 2. The stereochemistry at phosphorus. Chem. Comm. 432-433 (1974).
  56. S. Wolfe, H.B. Schlegel, M.-H. Whangbo and F. Bernardi. On the origin of the Bohlmann bands. Can. J. Chem. 52, 3787-3792 (1974).
  57. F. Bernardi, I.G. Csizmadia, H.B. Schlegel, M. Tiecco, M.H. Whangbo and S. Wolfe. The irrelevance of d-orbital conjugation. II. Non-empirical molecular orbital calculations on the CH 2SH radical. Gazz. Chim. Ital. 104, 1101-1108 (1974).
  58. S. Wolfe, J.B. Ducep, K.C. Tin and S.L. Lee. Sulfur-free penicillin derivatives. VI. Synthesis of the 1-oxacephem ring system. Can. J. Chem. 52, 3996-3999 (1974).
  59. F. Bernardi, I.G. Csizmadia, V.H. Smith, Jr., M.-H. Whangbo and S. Wolfe. A relationship between correlation energies and sizes. The helium-like ions. Theor. Chim. Acta. 37, 171-176 (1975).
  60. S. Wolfe, S.L. Lee, J.B. Ducep, G. Kannengiesser and W.S. Lee. Sulfur-free penicillin derivatives. V. Preparation, hydrolysis and oxidative rearrangement of fused oxazoline azetidinones. Can. J. Chem. 53, 497-512 (1975).
  61. F. Bernardi, I.G. Csizmadia, A. Mangini, H.B. Schlegel, M.-H. Whangbo and S. Wolfe. The irrelevance of d-orbital conjugation. I. The a -thiocarbanion. A comparative quantum chemical study of the the static and dynamic properties and proton affinities of carbanions adjacent to oxygen and to sulfur. J. Am. Chem. Soc. 97, 2209-2218 (1975).
  62. H.B. Schlegel, S. Wolfe and K. Mislow. Ab initio molecular orbital calculations on silaethylene H 2Si=CH 2. The theoretical infrared spectrum. Chem. Comm. 246-247 (1975)
  63. F. Bernardi, I.G. Csizmadia, H.B. Schlegel and S. Wolfe. On the π- donating abilities of sulfur and oxygen. A comparative quantum chemical investigation of the static and dynamic properties and gas phase acidities of +CH 2OH and +CH 2SH. Can. J. Chem. 53, 1144- 1144-1153 (1975).
  64. S. Wolfe, H.B. Schlegel, I.G. Csizmadia and F. Bernardi. The chemical dynamics of symmetric and asymmetric reaction coordinates. J. Am. Chem. Soc. 97, 2020-2024 (1975).
  65. F. Bernardi, N.D. Epiotis, W. Cherry, H.B. Schlegel, M.-H. Whangbo and S. Wolfe. A molecular orbital interpretation of the static, dynamic and chemical properties of CH 2X radicals. J. Am. Chem. Soc. 97, 469-478 (1976)
  66. M.-H Whangbo, S. Wolfe and F. Bernardi. A correlation between bond length and ionic bond order. Application to the ylide-ylene problem. Can. J. Chem. 53, 3040-3043 (1975).
  67. S. Wolfe, H.B. Schlegel, I.G. Csizmadia and F. Bernardi. The structure of acetaldehyde enolate ion. Can. J. Chem. 53, 3365-3377 (1975).
  68. H.B. Schlegel, S.Wolfe and F. Bernardi. Ab initio computation of force constants. I. The second and third period hydrides. J. Chem. Phys. 63, 3632-3638 (1975).
  69. H.B. Schlegel, S. Wolfe and F. Bernardi. Ab initio computation of force constants. II. The estimation of dissociation energies from ab initio SCF calculations. Can. J. Chem. 53, 3599-3601 (1975).
  70. M.-H. Whangbo and S. Wolfe. Molecular orbitals from group orbitals. I. A perturbational molecular orbital treatment of the electronic structures, shapes and conformations of AH mBH n systems. Can. J. Chem. 54, 949-962 (1976).
  71. M.-H. Whangbo and S. Wolfe. Molecular orbitals from group orbitals. II. Conformational analysis of systems with three heavy atoms. The XCH 2CH 2 system and the anomeric effect. Can. J. Chem. 54, 963-968 (1976).
  72. S. Wolfe, J.E. Berry and M.R. Peterson. Stereomutation of a 1,2,3-triketone: an example of an asymmetric reaction. Can. J. Chem. 54, 210-217 (1976).
  73. S, Wolfe, J.B. Ducep and J.D. Greenhorn. A novel base-promoted rearrangement of penicillin G. Can. J. Chem. 53, 3435-3438 (1975).
  74. S. Wolfe, P. Chamberlain and T.F. Garrard. Stereochemical properties of 1,3-bissulfonium salts and 1,3-bissulfonium ylides. Can. J. Chem. 54, 2847-2861 (1976).
  75. S. Wolfe, H.B. Schlegel and M.-H. Whangbo. On the rigidity of planar tricoordinate carbon. Can. J. Chem. 54, 795-799 (1976).
  76. J.P. Colpa, H.B. Schlegel and S. Wolfe. An inequality formulation of conformational energy differences. Can. J. Chem. 54, 526-530 (1976).
  77. S. Wolfe and M.-H. Whangbo. On the conformations and relative stabilities of 1,3-disubstituted cyclobutanes. Tetrahedron Lett. 49, 4365-4368 (1975).
  78. A.H. Cowley, M.W. Taylor, M.-H. Whangbo and S. Wolfe. The nature of the N-P torsional barrier in aminophosphines: A theoretical interpretation. Chem. Comm. 838-839 (1976).
  79. F. Bernardi, H.B. Schlegel and S. Wolfe. Ab initio computation of force constants. III. A simple procedure for the evaluation of X-H bond dissociation energies. J. Mol. Struct. 35, 149-153 (1976).
  80. N.D. Epiotis, R.L. Yates, F. Bernardi and S. Wolfe. A theoretical analysis of the factors determining the conformations and stabilities of oxy- and thiocarbanions. J. Am. Chem. Soc. 98, 5435- 5439 (1976).
  81. M.-H. Whangbo, H.B. Schlegel and S. Wolfe. Molecular orbitals from group orbitals. 3. Quantitative perturbational molecular orbital analysis of ab initio SCF-MO wavefunctions. J. Am. Chem. Soc. 99, 1296-1304 (1977).
  82. I.G. Csizmadia, G. Theodorakopoulos, H.B. Schlegel, M.-H. Whangbo S. Wolfe. The balance between nuclear and electronic energy in conformational change. Can. J. Chem. 55, 986-991 (1977).
  83. F. Bernardi, H.B. Schlegel, M.-H. Whangbo and S. Wolfe. A comparative quantum chemical investigation of the bonding in first and second row ylides. J. Am. Chem. Soc. 99, 5633-5636 (1977).
  84. M.-H. Whangbo and S. Wolfe. Molecular orbitals from group orbitals. IV. Quantitative perturbational molecular orbital analysis of the methyl rotational barriers in (CH 3) 2X molecules. Can. J. Chem. 55, 2778-2787 (1977).
  85. H.B. Schlegel, S. Wolfe and F. Bernardi. Ab initio computation of force constants. IV. The theoretical anharmonic force constants and vibrational frequencies of methylamine, methanol and methanethiol. J. Chem. Phys. 67, 4181-4193 (1977).
  86. H.B. Schlegel, S. Wolfe and F. Bernardi. Ab initio computation of force constants. V. The theoretical anharmonic force fields and vibrational frequencies of methyl fluoride and methyl chloride. J. Chem. Phys. 67, 4194-4198 (1977).
  87. S. Wolfe, D.J. Mitchell and M.-H Whangbo. Molecular orbitals from group orbitals. V. On the role of steric effects in the perturbational molecular orbital method of conformational analysis. J. Am. Chem. Soc. 100, 1936-1938 (1978).
  88. M.-H. Whangbo, D.J. Mitchell and S. Wolfe. Molecular orbitals from group orbitals. 6. Quantitative evaluation and nature of the stabilizing and destabilizing orbital interactions in difluoroethylenes and fluoropropenes. J. Am. Chem. Soc. 100, 3698- 3706 (1978).
  89. S. Wolfe, M.-H. Whangbo and D.J. Mitchell. On the magnitudes and origins of the "anomeric effects", "exo-anomeric effects", "reverse anomeric effects", and C-X and C-Y bond lengths in XCH 2YH molecules. Carbohydrate Res. 69, 1-26 (1979).
  90. N.S. Zefirov, V.V. Samoshin, O.A. Subbotin, V.I. Baranenkov and S. Wolfe. The gauche effect. On the nature of the interaction between electronegative substituents in trans-1,2-disubstituted cyclohexanes. Tetrahedron. 34, 2953-2959 (1978).
  91. S. Wolfe and D. Kost. Quantitative PMO analysis of the S N2 transition state. Nouv. J. Chim., 2, 441-443 (1978).
  92. D. Kost, D.J. Mitchell, H.B. Schlegel and S. Wolfe. Molecular orbitals from group orbitals. 9. The problem of hybrid lone pairs. Can. J. Chem. 57, 729-732 (1979).
  93. S. Wolfe and J.R. Campbell. Fumaroyl chloride: an acetylene synthon for the Diels-Alder synthesis of specifically deuteriated cyclohexenes. Synthesis. 2, 117-120 (1979)
  94. S. Wolfe and P.M. Kazmaier. Stereochemical aspects of the Pummerer reaction. Regioselectivity as a criterion for the differentiation of ylide and E2 pathways in the product-determining step of the reactions of benzyl methyl halo- and oxysulfonium cations. Can. J. Chem. 57, 2388-2396 (1979).
  95. S. Wolfe and P.M. Kazmaier. Stereochemical aspects of the Pummerer reaction. Diastereotopic selectivity in the deprotonation of oxysulfonium cations. Can. J. Chem. 57, 2397-2403 (1979).
  96. S. Wolfe, P.M. Kazmaier and H. Auksi. On the relationships between 18O-transfer, diastereotopic selectivity, and asymmetric induction in an intramolecular Pummerer reaction. Can. J. Chem. 57, 2404-2411 (1979).
  97. S. Wolfe, P.M. Kazmaier and H. Auksi. Cyclization of cysteinyl- glycine sulfoxides under Pummerer reaction conditions. Can. J. Chem. 57, 2412-2425 (1979)
  98. S. Wolfe and M.G. Jokinen. Total synthesis of δ-(L-α-aminoadipyl)- L-cysteinyl-D-valine (ACV), a biosynthetic precursor of penicillins and cephalosporins. Can. J. Chem. 57, 1388-1396 (1979).
  99. A.H. Cowley, D.J. Mitchell, M.-H. Whangbo and S. Wolfe. A molecular orbital study of the conformational consequences of stabilizing and destabilizing orbital interactions in hydrazine, diphosphine and aminophosphine. J. Am. Chem. Soc. 101, 5224-5231 (1979).
  100. S. Wolfe. The nature of scientific research. Queen's Quarterly. 86, 195-214 (1979).
  101. S. Wolfe, G. Militello, C. Ferrari, S.K. Hasan and S.L. Lee. Conversion of amino hydroxyacids to oxazolidine-4-carboxylic acids, oxazolidine-5-carboxylic acids and tetrahydrooxazine-4-carboxylic acids. Tetrahedron Lett. 41, 3913-3916 (1979).
  102. M.-H. Whangbo and S. Wolfe. The orbital interaction approach to structural and conformational problems in organic chemistry. Israel J. Chem. 20, 36-42 (1980).
  103. S. Wolfe and D. Schirlin. Sulfures et disulfures: acidites cinetiques relatives des protons adjacents au soufre. Tetrahedron Lett. 21, 827-830 (1980).
  104. S. Wolfe, R.J. Bowers, S. K. Hasan and P.M. Kazmaier. A new theory of penicillin biosynthesis. Synthesis and conformations of a -aminoadipyl- and glycyl- a -aminoadipylthiazepine sulfoxides. Can. J. Chem. 59, 406-421 (1981).
  105. S. Wolfe, C.F. Ingold and R.U. Lemieux. The oxidation of olefins by potassium permanganate. The mechanism of α-ketol formation. J. Am. Chem. Soc. 103, 938-939 (1981).
  106. S. Wolfe and C.F. Ingold. The oxidation of olefins by potassium permanganate. 18O-Labelling experiments and mechanism of the oxidation of 1,5-hexadiene. Evidence for a manganese intermediate with coordination number greater than four. J. Am. Chem. Soc. 103, 940-941 (1981).
  107. D.J. Mitchell, S. Wolfe and H.B. Schlegel. A theoretical study of the CSH 4 and CPH 5 hypersurfaces. Geometries, tautomerization and dissociation of sulfonium and phosphonium ylides. Can. J. Chem. 59, 3280-3292 (1981).
  108. S. Wolfe and C.C. Shaw. Sulfur-free penicillin derivatives. VII. Multiple functionalization of 2-azetidinyl-3-methyl-2-butenoates. Can J. Chem. 60, 144-153 (1982).
  109. S. Wolfe, D.J. Mitchell and H.B. Schlegel. Theoretical studies of S N2 transition states. Geometries. J. Am. Chem. Soc. 103 , 7692- 7694 (1981).
  110. S. Wolfe, D.J. Mitchell and H.B. Schlegel. Theoretical studies of S N2 transition states. Intrinsic barriers, rate-equilibrium relationships and the Marcus equation. J. Am. Chem. Soc. 103, 7694-7696 (1981).
  111. S. Wolfe, D.J. Mitchell and H.B. Schlegel. Theoretical studies of S N2 transition states. Substituent effects. Can. J. Chem. 60, 1291- 1295 (1982).
  112. S. Wolfe, D.J. Mitchell, H.B. Schlegel, C. Minot and O. Eisenstein. Theoretical studies of S N2 transition states. The a effect. Tetrahedron. Lett. 23, 615-618 (1982).
  113. S.Wolfe and P.G.C. Campbell. Secondary tritium isotope effects, a useful mechanistic probe for the study of acetoxyl participation and transfer. Tetrahedron. Lett. 23, 1227-1230 (1982).
  114. S.E. Jensen, D.W.S. Westlake and S. Wolfe. Cyclization of δ-(L-α-aminoadipyl)-L-cysteinyl-D-valine to penicillins by cell-free extracts of Streptomyces clavuligerus. J. Antibiot. ( Tokyo). 35, 483-490 (1982).
  115. S.Wolfe, R.J. Bowers, D.A. Lowe and R.B. Morin. Synthesis and incorporation of [3- 3H, U- 14C]-L-valine into penicillin V using Penicillium chrysogenum. Can. J. Chem. 60, 355-361 (1982).
  116. S.E. Jensen, D.W.S. Westlake, R.J. Bowers and S. Wolfe. Cephalosporin formation by cell-free extracts from Streptomyces clavuligerus. J. Antibiotics. 35, 1351-1360 (1982).
  117. S.E. Jensen, D.W.S. Westlake and S. Wolfe. High performance chromatographic assay of cyclization activity in cell-free systems from Streptomyces clavuligerus. J. Antibiotics. 35, 1026- 1032 (1982).
  118. J. Kupka, Y.-Q. Shen, S. Wolfe and A.L. Demain. Partial purification of the α-ketoglutarate-linked ring-expansion enzyme of β-lactam biosynthesis of Cephalosporium acremonium. FEMS Microbiol. Lett. 16, 1-6 (1983).
  119. J. Kupka, Y.-Q. Shen, S. Wolfe and A.L. Demain. Studies on the ring-cyclization and ring-expansion enzymes of β-lactam biosynthesis by Cephalosporium acremonium. Can. J. Microbiol. 29, 488-496 (1983).
  120. A.L. Demain, J. Kupka, Y.-Q. Shen and S. Wolfe. Microbiological synthesis of β-lactam antibiotics. In Trends in Antibiotics Research: Genetics, Biosyntheses, Actions, and New Substances. Edited by H. Umezawa. Japan Antibiotics Research Association ( Tokyo). 233-247 (1982).
  121. B.M. Pinto and S.Wolfe. Energies des orbitales et interactions orbitalaires: Effet anomere de la nojirimycine. Tetrahedron Lett. 23, 3687-3690 (1982).
  122. A.A. Borisenko, A.V. Nikulin, S.Wolfe, N.S. Zefirov and N.V. Zyk. The reaction of cyclic olefins with acetyl nitrate. [2+2] cycloaddition of the nitryl cation. J. Am. Chem. Soc. 106, 1074- 1079 (1984).
  123. S. Wolfe, A. Stolow and L.A. LaJohn. A theoretical reexamination of carbanions adjacent to sulfide, sulfoxide, sulfone and sulfonium centres. Tetrahedron Lett. 24, 4071-4074 (1983).
  124. S.E. Jensen, D.W.S. Westlake and S. Wolfe. Analysis of penicillin N ring expansion activity from Streptomyces clavuligerus by ion pair high performance liquid chromatography. Antimicrob. Agts. Chemother. 24, 307-312 (1983).
  125. S.E. Jensen, D.W.S. Westlake and S. Wolfe. Partial purification and characterization of isopenicillin N epimerase activity from Streptomyces clavuligerus. Can. J. Microbiol. 29, 1526 (1983).
  126. S. Wolfe, L.A. LaJohn, F. Bernardi, A. Mangini and G. Tonachini. d-Orbital effects and the structure of the a -thiocarbanion. Tetrahedron Lett. 24, 3789-3792 (1983).
  127. S. Wolfe. Studies related to b -lactam compounds. In Current Trends in Organic Synthesis. Pergamon Press, 1983, pp. 101-114.
  128. S. Wolfe. Marcus theory and the existence or non-existence of transition states in gas phase deprotonation of carbon acids. Can. Can.J. Chem. 62, 1465-1469 (1984)
  129. S. Wolfe, A. Stolow and L.A. LaJohn. Stereoelectronic effects and the reactivities of diastereotopic hydrogens. Can. J. Chem. 62, 1470-1475 (1984).
  130. S. Wolfe and C.F. Ingold. Oxidation of organic compounds by zinc permanganate. J. Am. Chem. Soc. 105, 7755-7757 (1983).
  131. S. Wolfe. Book Review: The Enchanted Ring: The Untold Story of Penicillin. J. Am. Chem. Soc. 105, 5171 (1983).
  132. S. Wolfe. Book Review: Molecular Structure and Conformation. Vol. 3. Chem. in Can., May 1983, p. 32.
  133. J. Heim, Y.-Q. Shen, S. Wolfe and A.L. Demain. Regulation of isopenicillin N synthetase and deacetoxycephalosporin C synthetase by carbon source during the fermentation of Cephalosporium acremonium. Eur. J. Appl. Micro. & Biotechnol. 19, 232-236 (1984).
  134. I. J. Hollander, Y.-Q. Shen, J. Heim, S. Wolfe and A.L. Demain. A pure enzyme catalyzing penicillin biosynthesis. Science. 224, 610-612 (1984).
  135. Y.-Q. Shen, J. Heim, N.A. Solomon, S. Wolfe and A.L. Demain. Repression of β-lactam production in Cephalosporium acremonium by nitrogen sources. J. Antibiotics. 37, 503-511 (1984).
  136. S.E. Jensen, D.W.S. Westlake and S. Wolfe. Production of penicillins and cephalosporins in an immobilized enzyme reactor. Appl. Microbiol. Biotechnol. 20, 155-160 (1984)
  137. S.E. Jensen, D.W.S. Westlake, R.J. Bowers, C.F. Ingold, M. Jouany, L. Lyubechansky and S. Wolfe. Penicillin formation by cell-free extracts of Streptomyces clavuligerus. Behaviour of aminoadipyl- modified analogs of the natural peptide precursor δ-(L-α-aminoadipyl)-L-cysteinyl-D-valine (ACV). Can. J. Chem. 62, 2712-2720 (1984).
  138. R.J. Bowers, S.E. Jensen, L. Lyubechansky, D.W.S. Westlake and S. Wolfe. Enzymatic synthesis of the penicillin and cephalosporin nuclei from an acyclic peptide containing carboxymethylcysteine. Biochem. Biophys. Res. Commun.. 120, 607-613 (1984).
  139. S. Wolfe, A.L. Demain, S.E. Jensen and D.W.S. Westlake. An enzymatic approach to the synthesis of unnatural b -lactam compounds. Science. 226, 1386-1392 (1984).
  140. S. Wolfe, I.J. Hollander and A.L. Demain. Enzymatic synthesis of a sulfur-analog of penicillin using the cyclase of Cephalosporium acremonium. Bio/technol. 2, 133-134 (1984).
  141. Y.-Q. Shen, S. Wolfe and A.L. Demain. Deacetoxycephalosporin C synthetase. Importance of order of cofactor reactant addition. Enz. Microb. Technol. 6, 402-404 (1984).
  142. Y.-Q. Shen, S. Wolfe, and A.L. Demain. Enzymatic conversion of the unnatural tripeptide δ-(D-α-aminoadipyl)-L-cysteinyl-D-valine to β-lactam antibiotics. J. Antibiot. 37, 1044-1048 (1984).
  143. S. Wolfe, L.A. LaJohn and D.F. Weaver. On the structures of a - lithiated sulfoxide, sulfone and sulfonium systems. Implications for the stereochemistry of functionalization of carbon atoms adjacent to sulfur. Tetrahedron Lett. 25, 2863-2866 (1984).
  144. S. Wolfe. Sulfur-containing carbanions and related species. In Organic Sulphur Chemistry: Theoretical and Experimental Advances. Elsevier, 1985, pp. 133-190.
  145. S.E. Jensen, D.W.S. Westlake and S. Wolfe. Desacetoxycephalosporin C synthetase and desacetoxycephalosporin C hydroxylase are two separate enzymes in Streptomyces clavuligerus. J. Antibiot. 38, 263-265(1985).
  146. D.J. Mitchell, H.B. Schlegel, S.S. Shaik and S. Wolfe. Relationships between geometries and energies of identity S N2 transition states. The dominant role of the distortion energy and its origin. Can. J. Chem., 63, 1642-1649 (1985).
  147. C. Lubbe, S. Wolfe and A.L. Demain. Dithiothreitol reactivates desacetoxycephalosporin C synthetase after inactivation. Enz. Microb. Technol. 7, 353-356 (1985).
  148. C. Lubbe, S. Wolfe and A.L. Demain. Repression and inhibition of cephalosporin synthetases in Streptomyces clavuligerus by inorganic phosphate. Arch. Microbiol. 140, 317-320 (1985).
  149. A.F. Brana, S. Wolfe and A.L. Demain. Ammonium repression of cephalosporin production by Streptomyces clavuligerus. Can. J. Microbiol. 31, 736-743 (1985).
  150. S. Wolfe, R.J. Bowers, S.E. Jensen, C. Lubbe, H. Hernandez and A.L. Demain. Effect of side chain substitution of a CH 2 group by sulfur on the antimicrobial activity of natural penicillins and cephalosporins. J. Antibiot. 38, 1550-1554 (1985).
  151. C. Lubbe, S. Wolfe, J.E. Shields, S.W. Queener, N. Neuss and A.L. Demain. Side-chain configuration of the sulfur-analog of penicillin produced by an extract of Cephalosporium acremonium. J. Antibiot. 38, 1792-1794 (1985).
  152. R.F. Hudson, D.P. Hansell, S. Wolfe and D.J. Mitchell. Origin of the so-called α-effect. J. Chem. Soc. Chem. Commun. 20, 1406-1407 (1985).
  153. S. Wolfe. Some thoughts as Ray Lemieux turns 65. Canadian Chemical News. 37, 25-26 (1985).
  154. Y.-Q. Shen, S. Wolfe, and A.L. Demain. Levels of isopenicillin N synthetase and deacetoxycephalosporin C synthetase in Cephalosporium acremonium producing high and low levels of cephalosporin C. Bio/technol. 4, 61-64 (1986).
  155. C. Lubbe, S. Wolfe and A.L. Demain. Isopenicillin N epimerase activity in a high cephalosporin-producing strain of Cephalosporium acremonium. Appl. Microbiol. Biotechnol. 23, 367-368 (1986).
  156. S.E. Jensen, D.W.S. Westlake, R.J. Bowers, L. Lyubechansky and S. Wolfe. Synthesis of benzylpenicillin by cell-free extracts from Streptomyces clavuligerus. J. Antibiot. 39, 822-826 (1986).
  157. A.F. Brana, S.Wolfe and A.L. Demain. Relationships between nitrogen assimilation and cephalosporin synthesis in Streptomyces clavuligerus. Arch. Microbiol. 146, 46-51 (1986).
  158. S.E. Jensen, B.K. Leskiw, L.C. Vining. Y. Aharonowitz, D.W.S. Westlake and S. Wolfe. Purification of isopenicillin N synthetase from Streptomyces clavuligerus. Can. J. Microbiol. 32, 953-958 (1986).
  159. A.L. Demain, Y.-Q. Shen, S.E. Jensen, D.W.S. Westlake and S. Wolfe. Further studies on the cyclization of the unnatural tripeptide δ-(D-α-aminoadipyl)-L-cysteinyl-D-valine to penicillin N. J. Antibiot. 39, 1007-1010 (1986).
  160. D.W.S. Westlake, Y. Aharonowitz, L.C. Vining, S.E. Jensen and S. Wolfe. Cell-free synthesis of β-lactam antibiotics by Streptomyces clavuligerus. Sixth Int. Symp. on Actinomycetes Biology. 235-243 (1986).
  161. G.Banko, S. Wolfe and A.L. Demain. Cell-free synthesis of δ-(L-α-aminoadipyl)-L-cysteine, the first intermediate of penicillin and cephalosporin biosynthesis. Biochem. Biophys. Res. Comm. 137, 528-535 (1986).
  162. S. Wolfe and R. Z. Sterzycki. The formylacetate synthon. Studies related to the synthesis of the penam and oxapenam ring systems. Can. J. Chem. 65, 26-30 (1987).
  163. A.L. Demain and S. Wolfe. Biosynthesis of cephalosporins. Developments in Industrial Microbiology. 27, 175-182 (1987).
    M. Charpentier, J. Fossey, T.T. Tidwell and S.Wolfe. Structures and stabilities of C 2H 2F 3 + cations: An ab initio molecular orbital study. Can. J. Chem. 65, 473-481 (1987).
  164. T. Schaefer, R. Sebastian, G.H. Penner, S.R. Salam and S. Wolfe. Wolfe. The benzylic anomeric effect. Internal rotational potentials of ArCH 2X compounds. (X = F, Cl, SH, SCH 3, S(O)CH 3,SO 2CH 3). Can. J. Chem. 65, 1845-1852 (1987).
  165. L.C. Vining, S. Jensen, D.W.S. Westlake, Y. Aharonowitz and S. Wolfe. Cephamycin production and isopenicillin N synthetase activity in cultures of Streptomyces clavuligerus. Appl. Microbiol. Biotechnol. 27, 240-246 (1987).
  166. G. Banko, A.L. Demain and S. Wolfe. δ-(L-α-aminoadipyl)-L-cysteinyl-D-valine synthetase. A multifunctional enzyme with broad substrate specificity for the synthesis of penicillin and cephalosporin precursors. J. Am. Chem. Soc. 109, 2858-2860 (1987).
  167. S. Wolfe and A.L. Demain. The use of enzymes in the synthesis of b -lactam compounds. Pharm. Tech. 11 (5), 28-32 (1987).
    J. Zhang, G. Banko, S. Wolfe and A.L. Demain. Methionine induction of ACV synthetase in Cephalosporium acremonium. J. Ind. Microbiol. 2, 251-255 (1987).
  168. B.M. Pinto, H.B. Schlegel and S. Wolfe. Bond angle variations in XCY fragments and their relationship to the anomeric effect. Can. J. Chem. 65, 1658-1662 (1987).
  169. J. Zhang, S. Wolfe and A.L. Demain. Phosphate repressible and inhibitable β-lactam synthetases in Cephalosporium acremonium strain C-10. Arch. Microbiol. (accepted August 1987).
  170. J. Zhang, S. Wolfe and A.L. Demain. Effect of ammonium as nitrogen source on production of ACV synthetase by Cephalosporium acremonium C-10. J. Antibiot. 40, 1746-1750 (1987).
  171. S. Wolfe. Book Review: Enzymes in organic synthesis. CIBA Foundation Symposium 111. Appl. Biochem. Biotechnol. 14, 279-280 (1987).
  172. S. Shaik, H.B. Schlegel and S. Wolfe. Transition state geometries and the magnitudes of S N2 barriers: A theoretical study. J. Chem. Soc. Chem. Commun. 1322-1323 (1988).
  173. S.E. Jensen, D.W.S. Westlake and S. Wolfe. Production of the penicillin precursor δ-(L-α-aminoadipyl)-L-cysteinyl-D-valine (ACV) by cell free extracts from Streptomyces clavuligerus. FEMS Microbiol. Lett. 49, 213-218 (1988).
  174. A.M. Ley, R.J. Bowers and S. Wolfe. Indoxyl-β-D-glucuronide. A novel chromogenic reagent for the detection and enumeration of Escherichia coli in environmental samples. Can. J. Microbiol. 34, 690-693 (1988).
  175. E. Buncel, S.S. Shaik, I.H. Um and S. Wolfe. A theoretical treatment of nucleophilic reactivity in additions to carbonyl compounds. J. Am. Chem. Soc. 110, 1275-1282 (1988).
  176. S. Wolfe, D.F. Weaver and K. Yang. Development and evaluation of peptide parameters for Allinger's MM85 program, including calculations on crambin and insulin. Can. J. Chem. 66, 2687-2702 (1988).
  177. S. Wolfe, S. Bruder, D.F. Weaver and K. Yang. Theoretical conformational analysis of peptides. Evolution of a strategy and its application to cholecystokinin analogs. Can. J. Chem. 66, 2703-2714 (1988).
  178. S. Wolfe, M. Khalil and D.F. Weaver. MMPEN: Development and evaluation of penicillin parameters for Allinger's MMP2(85) programme. Can. J. Chem. 66, 2715-2732 (1988).
  179. S. Wolfe, K. Yang and M. Khalil. Conformation-activity relationships and the mechanism of action of penicillin. Can. J. Chem. 66, 2733-2750 (1988).
  180. S. Wolfe, R.J. Bowers, H.-S. Shin, C.-K. Sohn, D.F. Weaver and K. Yang. Phenceptin: a biomimetic model of the phenytoin receptor. Can. J. Chem. 66, 2751-2762 (1988).
  181. B.K. Leskiw, Y. Aharonowitz, M. Mevarech, S. Wolfe, L.C. Vining, D.W.S. Westlake and S.E. Jensen. Cloning and nucleotide sequence determination of the isopenicillin N synthetase gene from Streptomyces clavuligerus. Gene. 62, 187-196 (1988).
  182. M.J. Rollins, D.W.S. Westlake, S. Wolfe and S.E. Jensen. Purification and initial characterization of deacetoxycephalosporin C synthase from Streptomyces clavuligerus. Can. J. Microbiol. 34, 1196-1202 (1988)
  183. M.J. Rollins, S.E. Jensen, S. Wolfe and D.W.S. Westlake. Dissolved oxygen control of a maltose feed to batch fermentations of Streptomyces clavuligerus: Effect on cephamycin C biosynthesis. Biotechnol. Lett. 10, 295-300 (1988).
  184. S.E. Jensen, S. Wolfe and D.W.S. Westlake. Synthesis of the penicillin precursor ACV by an immobilized enzyme preparation. J. Appl. Microbiol./Biotechnol. 30(2), 111-114 (1989).
  185. S. Wolfe, K. Yang, R.J Bowers, H.-S. Shin and C.-K. Sohn. Mechanism of action of a biomimetic phenytoin receptor. Heterocycles, 28 (2), 639-642 (1989).
  186. P. Aped. L. Schleifer, B. Fuchs and S. Wolfe. Probing the anomeric effect. The diaminomethylene group: calculations of N-C-N containing molecular systems. J. Comp. Chem. 10, 265-283 (1989).
  187. J. Zhang, S. Wolfe and A.L. Demain. Carbon source regulation of ACV synthetase in Cephalosporium acremonium C-10. Curr. Microbiol. 18 (6), 361-367 (1989).
  188. J. Zhang, S. Wolfe and A.L. Demain. Phosphate regulation of ACV synthetase and cephalosporin biosynthesis in Streptomyces clavuligerus. FEMS Microbiol. Lett. 57, 145-150 (1989).
  189. J. Zhang, S. Wolfe and A.L. Demain. Ammonium ions repress δ-(L-α-aminoadipyl)-L-cysteinyl-D-valine synthetase in Streptomyces clavuligerus NRRL 3585. Can. J. Microbiol. 35, 399-402 (1989).
  190. R.L. White, A.C. DeMarco, S. Shapiro, L.C. Vining and S. Wolfe. Measurement of a -aminoadipylcysteinyl-D-valine synthetase activity in Streptomyces clavuligerus by high performance liquid chromatography after precolumn derivatization with o-phthaldialdehyde. Anal. Biochem. 178, 399-403 (1989).
  191. S. Wolfe, M. Livneh, D. Cohen and S. Hoz. The ambident nucleophilic center. Stereochemical consequences of HOMO-LUMO and HOMO-HOMO dominant processes. Isr. J. Chem. 29, 221-227 (1989).
  192. M.J. Rollins, S.E. Jensen, S. Wolfe and D.W.S. Westlake. Oxygen derepresses deacetoxycephalosporin C synthase and increases the conversion of penicillin N to cephamycin C in Streptomyces clavuligerus. Enzyme Microbiol. Tech. 21, 40-45 (1990).
  193. S. Wolfe, S. Hoz, C-K. Kim and K. Yang. Barrier widths, barrier heights, and the origins of anomalous kinetic H/D isotope effects. J. Am. Chem. Soc. 112, 4186-4191 (1990)
  194. S. Hoz, K. Yang and S. Wolfe. Cross-section analysis of the gas phase potential surface for the addition of water to formaldehyde. A theoretical study of the energetics of proton transfer as a function of ΔpKa. J. Am. Chem. Soc. 112, 1319-1321 (1990).
  195. S. Wolfe and H.B. Schlegel. On the constitution of dimethylsulfoxide. Gazz. Chim. Ital. 120, 285-290 (1990).
  196. S.Wolfe, B.M. Pinto, V. Varma and R.Y.N. Leung.The Perlin effect: bond lengths, bond strengths and the origins of stereoelectronic effects upon one-bond C-H coupling constants. Can. J. Chem. 68, 1051-1062 (1990).
  197. S. Wolfe and C.-K. Kim. A theoretical study of conformational deuterium isotope effects and bond dissociation energies of diastereotopic hydrogens. Can. J. Chem. 69, 1408-1412 (1991).
  198. S. Wolfe and C.-K. Kim. Secondary H/D isotope effects in methyl transfer reactions decrease with increasing looseness of the transition structure. J. Am. Chem. Soc. 113, 8051-8061 (1991).
  199. X Xiao, R.J. Bowers, H.-S. Shin, S. Wolfe and A.L. Demain. Non-radioactive assay and HPLC analysis of cephalosporin C7- a -methoxylation by cell-free extracts of Streptomyces clavuligerus. Appl. Microbiol. Biotechnol. 35, 793-797 (1991).
  200. X. Xiao, S. Wolfe and A.L. Demain. Purification and characterization of cephalosporin 7α-hydroxylase from Streptomyces clavuligerus. Biochem. J. 280, 471-474 (1991).
  201. S.S. Shaik, H.B. Schlegel and S. Wolfe. Theoretical aspects of physical organic chemistry. John Wiley, xv + 285 pp 1992.
    J. Zhang, S. Wolfe and A.L. Demain. Biochemical studies on the activity of ACV synthetase from Streptomyces clavuligerus. Biochem. J. 283, 691-698 (1992).
  202. Y. Aharonowitz, J. Bergmeyer, J.M. Cantoral, G. Cohen, A.L. Demain, U. Fink, J. Kinghorn, H. Kleinkauf, A. MacCabe, H. Palissa, E. Pfeifer, T. Schwecke, H. van Liempt, H. von Döhren, S. Wolfe and J. Zhang. δ-(L-α-Aminoadipyl)-L-cysteinyl-D-valine synthetase, the multienzyme integrating the four primary reactions in β-lactam biosynthesis, as a model peptide synthetase. Bio/Technology. 11, 807-810 (1993).
  203. S. Wolfe and C.-K. Kim. Barrier widths and tunneling in the four-centred syn elimination of H-X from ethyl-X. The role of transition state asymmetry. Isr. J. Chem. 33, 295-305 (1993).
  204. R.J. Boyd, C.-K. Kim, Z. Shi, N. Weinberg and S. Wolfe. Secondary H/D isotope effects and transition state looseness in nonidentity methyl transfer reactions. Implications for the concept of enzymatic catalysis via transition state compression. J. Am. Chem. Soc. 115, 10147-10152 (1993).
  205. S. Wolfe. Studies related to the penicillin receptor. Can. J. Chem. 72, 1014-1032 (1994).
  206. S. Wolfe, C.K. Kim and K. Yang. Ab initio molecular orbital calculations on the neutral hydrolysis and methanolysis of azetidinones, including catalysis by water. Relationship to the mechanism of action of β-lactam antibiotics. Can. J. Chem. 72, 1033-1043 (1994).
  207. S. Wolfe and T. Hoz. A semiempirical molecular orbital study of the methanolysis of complex azetidinones. A combined MM and QM analysis of the interaction of Δ 2- and Δ 3-cephems with the penicillin receptor. Can. J. Chem. 72, 1044-1050 (1994).
  208. S. Wolfe. H. Jin, K. Yang, C.-K. Kim and E. McEachern. Interactive design and synthesis of a novel antibacterial agent. Can. J. Chem. 72, 1051-1065 (1994).
  209. S. Wolfe, C. Zhang, B.D. Johnston and C.-K. Kim. Synthesis of the stereoisomers of a novel antibacterial agent and interpretation of their relative activities in terms of a theoretical model of the penicillin receptor. Can. J. Chem. 72, 1066-1075 (1994).
  210. N. Weinberg and S. Wolfe. A comprehensive approach to the conformational analysis of cyclic compounds. J. Am. Chem. Soc. 116, 9860-9868 (1994).
  211. S. Wolfe, C.K. Kim, K. Yang, N. Weinberg and Z. Shi. Hydration of the carbonyl group. A theoretical study of the cooperative mechanism. J. Am. Chem. Soc. 117, 4240-4260 (1995).
  212. K. Maeda, J.M. Luengo, O. Ferraro, S. Wolfe, M.Y. Lebedev, A Fang and A.L. Demain. The substrate specificity of deacetoxycephalosporin C synthetase ("expandase") of Streptomyces clavuligerus is extremely narrow. Enz. Microb. Technol. 17, 231-234 (1995).
  213. J.J. Neville, Y. Zheng, B.P. Hollebone, N. Cann, C.E. Brion, C.-K. Kim and S. Wolfe. EMS studies of larger molecules of chemical and biochemical interest. Can. J. Phys. 74, 773-781 (1996).
  214. S. Wolfe, C.-K. Kim, K. Yang, N. Weinberg and Z. Shi. Transverse compression and the secondary H/D isotope effects in intramolecular S N2 methyl-transfer reactions. Can. J. Chem. 76, 359-370 (1998).
  215. S. Wolfe, Z. Shi, K. Yang, S. Ro, N. Weinberg and C.-K. Kim. Hydration of the carbonyl group. Further evidence for a cooperative mechanism from experimental and theoretical studies of the hydrations of formaldehyde, acetaldehyde, acetone and cyclohexanone. Can. J. Chem. 76, 114-124 (1998).
  216. S. Wolfe, K. Yang, N. Weinberg, Z. Shi, Y.-H. Hsieh, R.D. Sharma, S. Ro and C.-K. Kim. Alkyl transfer with retention and inversion of configuration. Reexamination of a putative [1s,4s] sigmatropic rearrangement. Chem. Eur. J. 4, 886-902 (1998).
  217. H. Cho, J.L. Adrio, J.M. Luengo, S. Wolfe, S. Ocran, G. Hintermann, J.M. Piret and A.L. Demain. Elucidation of conditions allowing conversion of penicillin G and other penicillins to deacetoxycephalosporins by resting cells and extracts of Streptomyces clavuligerus NP1. Proc. Natl. Acad. Sci. USA. 95, 11544-11548 (1998).
  218. J. Rolke, Y. Zheng, C.E. Brion, Z. Shi, S. Wolfe and E.R. Davidson. Orbital imaging and assessment of different orbital models for the valence shell of methanol. Chem. Phys. 244, 1-24 (1999).
  219. M.-J. Fernandez, J.L. Adrio, J.M. Piret, S. Wolfe, S. Ro and A.L. Demain. Stimulatory effect of growth in the presence of alcohols on biotransformation of penicillin G into cephalosporin-type antibiotics by resting cells of Streptomyces clavuligerus NP1. Appl. Microbiol. Biotechnol. 52, 484-488 (1999).
  220. S. Wolfe and Z. Shi. The O-C-S (S-C-O) Edward-Lemieux effect is controlled by a p-orbital on oxygen. Evidence from electron momentum spectroscopy, photoelectron spectroscopy, X-ray crystallography and density functional theory. Isr. J. Chem. 40, 343-355 (2000).
  221. S. Wolfe, S. Ro, C.-K. Kim and Z. Shi. Synthesis anddecarboxylation of 4,4-dicarboxy-Δ 2-cephems. Can. J. Chem. 79, 1238-1258 (2001).
  222. S. Wolfe, A. Buckley and N. Weinberg. A comprehensive computational examination of transannular Diels-Alder reactions of unsubstituted C14 trienes. Barriers, template effects and the Curtin-Hammett principle. Can. J. Chem. 79, 1284-1292 (2001).
  223. S. Wolfe, Y.-H. Hsieh, R.J. Batchelor, F.W.B. Einstein and I.D. Gay. A topochemical rearrangement with multiple inversions of configuration. Can. J. Chem. 79, 1272-1277 (2001).
  224. S. Wolfe and Z. Shi. The ozonolysis of ortho-xylene and its relevance to the history of the benzene problem. Can. J. Chem. 79, 1278-1283 (2001).
  225. S. Wolfe, S. Ro and Z. Shi. Generation, electrocyclic ring opening and unprecedented conversion of a 3-acylaminoazetinone into cis-3,4-disubstituted azetidinones. Can. J. Chem. 79, 1259-1271 (2001).
  226. S. Tixier, W.A. Shapley, Y. Zheng, D.P. Chong, C.E. Brion, Z. Shi and S.Wolfe. Electron densities for the outer valence orbitals of pyridine: comparison of EMS measurements with near Hartree-Fock limit and density functional theory calculations. Chem. Phys. 270, 263-276 (2001).
  227. S. Wolfe, Z. Shi, C.E. Brion, J. Rolke, Y. Zheng, G. Cooper, D.P. Chong and C.Y. Hu. Electron momentum spectroscopy of the frontier electrons of DABCO does not support an sp3 hybrid lone-pair description. Can. J. Chem. 80, 222-227 (2002).
  228. C.E. Brion, G. Cooper, R. Feng, S. Tixier, Y. Zheng, I.E. McCarthy, Z. Shi and S. Wolfe. Chemical applications of binary (e,2e) spectroscopy. AIP Conference Proceedings. 604, 38-44 (2002)
  229. S. Wolfe, C.I. Akuche, S. Ro, M.-C. Wilson, C.-K. Kim and Z. Shi. 5-Hydroxy[1,2]oxazinan-3-ones as potential carbapenem and D-ala-D-ala surrogates. Can. J. Chem. 81, 915-936 (2003).
  230. S. Wolfe, M.-C. Wilson, M.-H. Cheng, G.V. Shustov and C.I.Akuche. Cyclic hydroxamates, especially multiply substituted [1,2]oxazinan-3-ones. Can. J. Chem. 81, 937-960 (2003).
  231. G.V. Shustov, M.K. Chandler and S. Wolfe. Stereoselective synthesis of multiply substituted [1,2]oxazinan-3-ones via ring-closing metathesis. Can. J. Chem. In press.
  232. Y.-H. Hsieh, N. Weinberg, K. Yang, C.-K. Kim, Z. Shi and S.Wolfe. Hydration of the Carbonyl Group. Acetic Acid Catalysis in the Coöperative Mechanism. Can. J. Chem. In press.
  233. Y.-H. Hsieh, N. Weinberg and S. Wolfe. Hydration of the carbonyl group. The nature of the bifunctional catalysis of the coöperative mechanism by 2-hydroxypyridine. Submitted.
  234. Y.-H. Hsieh, C.-K. Kim, N. Weinberg and S. Wolfe. Hydration of the carbonyl group. Proton inventories of the neutral and acid-catalyzed hydration of acetone. Submitted.
  235. Y.-H. Hsieh, Z. Shi, N. Weinberg and S. Wolfe. The neutral hydrolysis of methyl acetate. Is there a tetrahedral intermediate? Submitted.
  236. S. Wolfe, C. E. Brion, G. Cooper, Y. Zheng and Z. Shi. Electron Momentum Spectroscopy of the Frontier Electrons of Methane, Ammonia and Water- An Evaluation of Localized (Hybrid) and Delocalized (Canonical) Orbital Models.

PATENTS

  1. S. Wolfe. Anhydro-2{alkyloxy(or aryloxy)alkyl}penicillins. Belg. 621452 (1963).
  2. D.A.Johnson and S. Wolfe. Process for the Production of a -Aminobenzyl-Penicillins. U.S. 3140282 (1964).
  3. S. Wolfe, Anhydropenicillins. U.S. 3311638 (1967).
  4. S. Wolfe. Oxacephems and Intermediates Therefor, Belg. 832174 (1975).
  5. S. Wolfe. Azetidinones and the Production thereof, Brit. 1435802 (1976).
  6. S. Wolfe. b -Lactam Antibiotics and the Production Thereof, Brit. 1435801 (1976).
  7. S. Wolfe. 2,2-Dimethyl-3R-Carboxy-6S-Amino-1-Oxa-4-Aza-5R-Bicyclo {3.2.0}Heptan-7-One, U.S. 3948927 (1976).
  8. S. Wolfe. 2,2-Dimethyl-3R-Carboxy-6S-Phenyl (or Phenoxy)Acetamido-1-Oxa-4-Aza-5R-Bicyclo{3.2.0}Heptan-7-One and Processes for their Production, U.S. 3950352 (1976).
  9. S. Wolfe. Production of Fused Oxazoline Azetidinones, U.S. 3985764 (1976).
  10. S. Wolfe. 1-Oxacephems, U.S. 4013653 (1977).
  11. S.Wolfe. 2,2-Dimethyl-3R-Carboxy-6S-Acylamido-1-Oxa-4-Aza-5R- Bicyclo{3.2.0}Heptan-7-One, U.S. 4018782 (1977).
  12. S. Wolfe. Azetidinones and their Production and Use, Can.1024518 (1978).
  13. S. Wolfe. 1-Oxacephems and Intermediates Therefor, Brit. 1510794 (1978).
  14. S. Wolfe. 2-(2'-Chloro-3'-Substituted-4-Oxo)-Azetidinyl-3-Methyl-3- Butenoates, Brit. 1510795 (1978).
  15. S. Wolfe. Preparation of 1-Oxapenicillins and Intermediates therefor, U.S. 4071512 (1978).
  16. S. Wolfe. Brominated 1-Oxapenicillins, Brit. 1507185 (1978).
  17. S. Wolfe. 1-Oxapenicillin Intermediates and Preparation, Brit. 1507184 (1978).
  18. S. Wolfe. Preparation of 1-Oxapenicillins and Novel Intermediates therefor, Can. 1041523 (1978).
  19. S. Wolfe. Azetidinones, French 2,318,158 (1979).
  20. S. Wolfe. Nouvelles Azetidinones, French 2,318157 (1979).
  21. S. Wolfe. 1-Oxacephems and Intermediates Therefor, Can. 1052787 (1979).
  22. S. Wolfe. Process for Preparing Azetidinones, etc., Austrian 354-456 (1980).
  23. S. Wolfe. 1-Oxacephems and Intermediates Therefor, Swiss 616,681 (1980).
  24. S. Wolfe. 4-Chloroazetidinone Intermediates, U.S. 4200571 (1980).
  25. S. Wolfe. Preparation of 1-Oxapenicillins and 4-Acyloxy Azetidinone Intermediates therefor, U.S. 42083255 (1980).
  26. S. Wolfe. 1-Oxacephems and Intermediates Thereof, Finnish 63,237 (1983).
  27. S. Wolfe and C.C. Shaw. Process for 1-Oxacephem Derivatives, U.S. 4391975 (1983).
  28. S. Wolfe, D.W.S. Westlake and S.E. Jensen. Isolation of Cyclase, Epimerase and a Ring Expansion Enzyme for Producing Unnatural Cephalosporins, U.S. 4,510,246 (1985).
  29. S. Wolfe and C.C. Shaw. Intermediates for Process for 1-Oxacephem Derivatives, U.S. 4,514,333 (1985).
  30. S. Wolfe, D.W.S. Westlake and S.E. Jensen. Stable Epimerase Reagent, Cyclase Reagent and Ring Expansion Reagent for Cell-free Production of Cephalosporins. U.S. 4,536,476 (1985).
  31. S. Wolfe, D.W.S. Westlake and S.E. Jensen. Biosynthesis of Unnatural Cephalosporins, U.S. 4,579,818 (1986).
  32. S. Wolfe, D.W.S. Westlake and S.E. Jensen. Biosynthesis of Unnatural Cephalosporins, Can. 1204070 (1986).
  33. S. Wolfe, D.W.S. Westlake and S.E. Jensen. Biosynthesis of Unnatural Cephalosporins. Can. 1,206,901 (1986).
  34. S.Wolfe, D.W.S. Westlake and S.E. Jensen. Enzyme Immobilization for Producing Cephalosporin Antibiotics, U.S. 4,693,977 (1987).
  35. S. Wolfe, D.W.S. Westlake and S.E. Jensen. Biosynthesis of Unnatural Cephalosporins, U.S. 4,847,200 (1989).
  36. S. Wolfe, G.L. Banko and A.L. Demain. ACV-Synthetase. US Ser. No. 015062. Filed Feb. 17, 1987. Foreign Filings in Canada, EPO (7 countries), Japan.
  37. S.Wolfe and R.J. Bowers. Indoxyl b -D-glucuronide and method for making. U.S. Ser. No. 338361. Filed Feb. 3, 1987. Foreign Filings in Canada, EPO (12 countries), Japan. Canadian Patent 1,311,750 (1992).
  38. S. Wolfe. Method for Predicting Activities of Antibiotics. US Ser No. 284502, Dec. 14, 1988; CIP, 450,988, Dec. 15, 1989. Allowed March 1996.
  39. S. Wolfe. Antibacterial and Antimycobacterial Agents. US Ser. No. 07/889825. Filed May 29, 1992.
  40. S. Wolfe. Cephalosporin Derivatives. US Ser. No. 07/722909. Filed June 28, 1991.
  41. S. Wolfe. Six-membered hetero "N" compounds. U.S. 5,552,543, 1996.
  42. S. Wolfe, C. Akuche and S. Ro. Preparation of novel oxazinones having antibacterial activity. US Patent 6399600 (2002).