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G. W. A.
Milne
Publications in Peer-Reviewed
Journals
1. Milne, G. W. A., and Smith, H.:
Stereochemistry of pimaric and isopimaric acid.
Chem. Ind.
(London): 1307-1308, 1961.
2. Kupchan, S.M., McLean, S., and Milne, G.W.A.:
The chemistry of 3,4,7-trisubstituted steroids. J. Org. Chem.: 27, 147-153,
1963.
3. Kupchan, S.M., Slade, P., Young, R.J., and
Milne, G. W. A.: Facilitation of alkaline hydrolysis of alicyclic diol, 1,2 diol
monoesters. Tetrahedron: 18, 499-506, 1962.
4. Kupchan, S.M., Masamune, T., and Milne, G.W.A.:
Steroid Hormone analogs. II. Transforma; tions in the C-nor-D-homosteroid
series. J. Org. Chem.: 29, 755-757, 1964.
5. Klayman, D.L., and Milne, G.W.A.:
2-Amino-delta-2-thiazolines from aminoethyl thiosulfates; the mass spectra of
2-amino delta-2-thiazolines and related compounds. J. Org. Chem.: 31, 2349-2356,
1966.
6. Milne, G.W.A., and Plimmer, J.R.: The
high-resolution mass spectra of bisbenzyltetrahydroisoquinoline alkaloids. The
structure of hayatin. J. Chem. Soc.: 1966-1968, 1966.
7. Avigan, J., Steinberg, D., Gutman, A., Mize, C.
E., and Milne, G.W.A.: -Decarboxylation, an important pathway for the
degradation of phytanic acid in mammals. Biochem. & Biophys. Res. Commun.:
24, 838, 1966.
8. Goldman, P., and Milne, G. W. A.:
Carbon-fluorine bond cleavage. II. Studies on the mechanism of the
defluorination of fluoracetate. J. Biol. Chem.: 244, 5557-5559, 1966.
9. Milne, G.W.A., and Cohen, L. A.: The nuclear
magnetic resonance and mass spectra of derivatives of cycloserine. Tetrahedron:
23, 65-76, 1967.
10. Goldman, P., Milne, G. W. A., and Pignataro, M.:
Fluorine containing metabolites formed from 2-fluorobenzoic acid by Pseudomonas
sp. Arch. Biochem. Biophys.: 118, 178-184, 1967.
11. Klayman, D.L., Senning, A., and Milne, G. W.
A.: The structure of N-carbamoyl-2-amino--2-thiazoline. Acta Chem. Scand.: 21,
217-223, 1967.
12. Klayman, D.L., Maul, J. J., and Milne, G. W.
A.: 2-amino-2-thiazoline. III. The differing behavior of phenyl isothiocyanate
and phenyl isocyanate towards 2-amino--2-thiazoline. Tetrahedron Lett.: 3,
281-284, 1967.
13. Avigan, J., Milne, G. W. A., and Highet, R.J.:
The occurrence of phytane and pristane in man and animals. Biochem. Biophys.
Acta: 144, 127-131, 1967.
14. Steinberg, D., Herndon, J.H., Uhlendorf, B.W.,
Mize, C. E., Avigan, J. and Milne, G.W.A.: Refsum's disease. Nature of the
enzyme defect. Science: 156, 170-173, 1967.
15. Wilchek, M., Spande, T.F., Witkop, B., and
Milne, G.W.A.: Chemical conversion of tyrosine to 6-hydroxyindoles. J. Amer.
Chem. Soc.: 89, 3349, 1967.
16. Holtzmann, J., Gillette, J.R., and Milne,
G.W.A.: The incorporation of oxygen-18 into naphthalene in the enzymatic
formation of 1,2-dihydronaphthalene-1,2-diol. J. Biol. Chem.: 242, 4386-4387,
1967.
17. Axenrod, T., and Milne, G.W.A.: Evidence for
the intermolecular mechanism in the photoisomerization of N-nitrosodialkyl
amines to amidoximes. Tetrahedron Lett.: 45, 4443-4445, 1967.
18. Holtzmann, J., Gillette, J.R., and Milne,
G.W.A.: The metabolic products of naphthalene in mammalian systems. J. Amer.
Chem. Soc.: 89, 6341, 1967.
19. Axenrod, T., and Milne, G.W.A.:
Electron-impact-induced rearrangements of dibenzylnitrosamines. Chem. Commun.:
67-68, 1968.
20. Goldman, P., Milne, G. W. A., and Keister, D.
B.: Carbon halogen bond cleavage. III. Studies on bacterial halidohydrolases. J.
Biol. Chem.: 243, 248-254, 1968.
21. Milne, G.W.A.: The application of high
resolution mass spectrometry to organic chemistry. Quart. Rev.: 22, 75-93, 1968.
22. Wilchek, M., Spande, T.F., Milne, G.W.A., and
Witkop, B.: The non-enzymatic conversion of tyrosine to mono- and
dihydroxyindoles. Biochemistry: 7, 1777-1786, 1968.
23. Klayman, D.L., Maul, J. J., and Milne, G. W.
A.: 2-amino 2-thiazoline. V. Phenylthioureido and phenylureido derivatives of
-2-thiazoline. J. Heter. Chem.: 5, 517-522, 1968.
24. Axenrod, T., Pregosin, P. S., and Milne, G. W.
A.: Nitrogen-15 magnetic resonance spectroscopy. Configuration of
N-nitrosamines. Chem. Commun.: 2, 702-703, 1968.
25. Axenrod, T., and Milne, G. W. A.:
Photochemistry of nitrosamines. Mechanism studies. Tetrahedron: 24, 5775-5783,
1968.
26. Axenrod, T., Pregosin, P. S., and Milne, G. W.
A.: Nitrogen-15 magnetic resonance spectroscopy. II. Configurational assignments
and intramolecular hydrogen bonding in N-nitroso hydrazines. Tetrahedron Lett.:
51, 5293-5297, 1968.
27. Milne, G.W.A., Goldman, P., and Holtzmann, J.
L.: The metabolism of 2-fluorobenzoic acid. II. Studies with oxygen-18. J. Biol.
Chem.: 243, 5374-5376, 1968.
28. Steinberg, D., Avigan, J., Mize, C.E., Herndon,
J.H., Jr., Fales, H. M., and Milne, G. W. A.: The nature of the metabolic defect
in Refsum's disease. Path. Europ.: 3, 450-458, 1968.
29. Klayman, D.L., and Milne, G.W.A.:
2-amino--2-thiazoline VI. The formation of a thiazolo-s-triazine from 2-amino
-2-thiazoline. Tetrahedron: 25, 191-198, 1969.
30. Axenrod, T., Wieder, M. J., and Milne, G. W.
A.: Nitrogen-15 magnetic resonance spectroscopy. III. Configurational
assignments in N-nitrosohydroxylamines. Tetrahedron Lett.: 52, 401-405, 1969.
31. Baxter, J. H., and Milne, G. W.A.: Phytenic
acid: Identification of five isomers in chemical and biological products of
phytol. Biochim. Biophys. Acta: 176, 265-267, 1969.
32. Axenrod, T., Wieder, M. J., and Milne, G. W.
A.: Nitrogen-15 magnetic resonance spectroscopy. IV. Configurational assignments
in alkyl nitrites. Tetrahedron Lett.: 18, 1397-1400, 1969.
33. Mize, C.E., Avigan, J., Steinberg, D., Pittman,
R. C., Fales, H.M., and Milne, G.W.A.: A major pathway for the mammalian
oxidative degradation of phytanic acid. Biochim. Biophys. Acta: 176, 720-739,
1969.
34. Mize, C.E., Herndon, J.H., Blass, J.P., Milne,
G. W. A., Follansbee, C., and Laudat, P.: Localization of the oxidative defect
in phytanic acid degradation in patients with Refsum's disease. J. Clin.
Invest.: 48, 1017-1040, 1969.
35. Axenrod, T., Pregosin, P.S., Wieder, M.J., and
Milne, G. W. A.: Nitrogen-15 magnetic resonance spectroscopy. A correlation of
the 15N-H coupling constants in aniline derivatives with Hammett
sigma constants. J. Amer. Chem. Soc.: 91, 3681-3682, 1969.
36. Fales, H.M., Milne, G. W. A., and Vestal, M.L.:
Chemical ionization mass spectrometry of complex molecules. J. Amer. Chem. Soc.:
91, 3682-3685, 1969.
37. Bulusu, S., Axenrod, T., and Milne, G.W.A.:
Electron-impact fragmentation of some aliphatic nitramines. Migration of the
nitro group in heterocyclic nitramines. Org. Mass Spec.: 3, 13-21, 1970.
38. Milne, G.W.A., Kiryushkin, A. A., Alakhov, Yu.
A., Lipkin, V.M., and Ovchinnikov, Yu. A.: Intermolecular alkylation reactions
in the mass spectrometry of peptide derivatives. Tetrahedron: 26, 299-304, 1970.
39. Fales, H.M., Lloyd, H. A., and Milne, G.W.A.:
Chemical ionization mass spectrometry of complex molecules. II. Alkaloids. J.
Amer. Chem. Soc.: 92, 1590-1597, 1970.
40. Ziffer, H., Fales, H.M., Milne, G.W.A., and
Field, F. H.: Chemical ionization mass spectrometry of complex molecules. III.
The structure of the photodimers of ,-unsaturated ketones. J. Amer. Chem. Soc.:
92, 1597-1600, 1970.
41. Alakhov, Yu. B., Kiryushkin, A.A., Lipkin, V.
M., and Milne, G.W.A.: Butylation of the tryptophan indole ring: A side reaction
during the removal of t-butyloxycarbonyl and t-butyl protecting groups in
peptide synthesis. Chem. Comm.: 406-407, 1970.
42. Milne, G.W.A.: High resolution mass
spectrometry in organic chemistry. Usp. Khim.: 39, 190-207, 1970. (In Russian).
43. Milne, G.W.A., Axenrod, T., and Fales, H. M.:
Chemical ionization mass spectrometry of complex molecules. IV. Amino acids. J.
Amer. Chem. Soc.: 92, 5170-5175, 1970.
44. Levin, I.W., Axenrod, T., and Milne, G. W. A.:
Raman and infrared spectra of dimethylnitrosamine. J. Phys. Chem.: 53,
2505-2512, 1970.
45. Fales, H. M., Milne, G. W. A., and Axenrod, T.:
Identification of barbiturates by chemical ionization mass spectrometry. Anal.
Chem.: 42, 1432-1435, 1970.
46. Kiryushkin, A.A., Fales, H.M., Axenrod, T.,
Gilbert, E. J., and Milne, G. W. A.: Chemical ionization mass spectrometry of
complex molecules. VI. Peptides. Org. Mass Spec.: 5, 19-31, 1971.
47. Milne, G.W. A.: The application of mass
spectrometry to problems in medicine and biochemistry. In, Milne, G.W.A. (Ed.):
Mass spectrometry, 1970. Wiley Interscience, New
York, N. Y., November, 1971, pp.327-371.
48. Law,
N.C., Aandahl, V.A., Fales, H.M., and Milne,
G. W. A.: Identification of dangerous drugs by mass spectrometry. Clin. Chim.
Acta: 32, 221-228, 1971.
49. Axenrod, T., Pregosin, P.S., Wieder, M. J.,
Becker, E. D., Bradley, R.B., and Milne, G.W.A.: Nitrogen-15 nuclear magnetic
resonance spectrocopy. Substituent effects on N15-H coupling constants and
nitrogen chemical shifts in aniline derivatives. J. Amer. Chem. Soc.: 93,
6536-6541, 1971.
50. Fales, H.M., Nagai, Y., Milne, G.W.A., Brewer,
H.B., Jr., Bronzert, T.J., and Pisano, J.J.: Use of chemical ionization mass
spectrometry in analysis of phenylthiohydantoin derivatives formed during Edman
degradation of proteins. Anal. Biochem.: 43, 288-299, 1971.
51. Fales, H. M., Milne, G. W. A., and Nicholson,
R. S.: Chemical ionization mass spectrometry of complex molecules. VIII. Esters
of di- and tricarboxylic acids. Anal. Chem.: 43, 1785-1789, 1971.
52. Milne, G. W. A., Fales, H. M.,
and Axenrod, T.: Identification of dangerous drugs by chemical ionization mass
spectrometry. Anal. Chem.: 43, 1815-1820, 1971.
53. Beggs, D., Fales, H.M., Milne, G.W.A., and
Vestal, M. L.: A chemical ionization mass spectrometer source. Rev. Sci. Inst.:
42, 1578-1584, 1971.
54. Law, N. C., Fales, H. M., and Milne, G. W. A.:
Identification of drugs taken in overdose cases. Clin. Tox.: 5, 17-26, 1972.
55. Fales, H.M., Milne, G.W.A., Pisano, J.J.,
Brewer, H. B., Jr., Blum, M.S., MacConnell, J.G., Brand, J., and Law, N. C.:
Biological applications of electron ionization and chemical ionization mass
spectrometry. Rec. Progr. Horm. Res.: 28, 596-626, 1972.
56. Weisgraber, K., Weiss, U., Milne, G.W.A., and
Silverton, J.V.: Hexamethyl ether of leuco-thelephoric acid from corticium
caeruleum. Phytochem.: 11, 2585-2587, 1972.
57. Maxwell, T., Milne, G.W.A., and Fales, H. M.:
Plasticizers in blood - real or artifactual? Env. Health Pers.: 139-140, 1973
58. Heller, S.R., Fales, H. M., and Milne, G. W.
A.: A conversational mass spectral search and retrieval system. II. Combined
search options. Org. Mass Spec.: 7, 107-115, 1973.
59. Heller, S.R., Fales, H. M., and Milne, G. W.
A.: An interactive mass spectral search system. J. Chem. Ed.: 49, 725,
1973.
60. Ting, K.L.H., Lee, R.C. T., Milne, G.W.A.,
Shapiro, M., and Guarino, A.M.: Applications of artificial intelligence:
Relationships between mass spectra and pharmacological activity of drugs.
Science: 180, 417-420, 1973.
61. Silverton, J.V., Milne, G.W.A., Eaton, P. E.,
Nyi, K., and Temme, G.H., III.: Structures of the [n,2,2]-propellanes.
I. 2-hydroxy[4,2,2]propellane p-nitrobenzoate. J. Amer.
Chem. Soc.: 96, 7429-7432, 1974.
62. Milne, G.W.A., Fales, H. M., and Colburn, R.
W.: Chemical ionization mass spectrometry of complex molecules: Biogenic amines.
Anal.Chem.: 45, 1952-1954, 1973.
63. Longevialle, P., Milne, G. W. A., and Fales, H.
M.: Chemical ionization mass spectrometry of complex molecules.XI.
Stereochemical and conformational effects in the isobutane chemical ionization
mass spectrometry of some steroidal amino alcohols. J. Amer. Chem. Soc.: 95,
6666-6669, 1973.
64. Heller, S.R., Koniver, D.A., Fales, H.M., and
Milne, G. W.A.: A conversational mass spectral search system. III. Display and
plotting of spectra and dissimilarity comparison. Anal Chem.: 46, 947-950, 1974.
65. Heller, S.R., Feldmann, R.J., Fales, H.M., and
Milne, G.W.A.: A conversational mass spectral search system. IV. The evolution
of a system for the retrieval of mass spectral information. J. Chem. Doc.: 13,
130-133, 1973.
66. Schier, G. M., Halpern, B., and Milne, G. W.
A.: Characterization of dipeptides by electron impact and chemical ionization
mass spectrometry. Biomed. Mass Spec.: 1, 212-218, 1974.
67. Milne, G. W. A., and Lacey, M. J.: Modern
Ionization Techniques in mass spectrometry. Crit. Rev. Anal. Chem.: 4, 45-104,
1974.
68. Kim, S.J., Kwon-Chung, K.J., Milne, G. W. A.,
and Prescott, B.: Polyene-resistant
mutants of aspergillus fennelliae: Characterization of sterols. Antimicrob.
Agents and Chemother.: 6, 405-410, 1975.
69. Fales, H.M., Milne, G.W.A., Winkler, H. U.,
Beckey, H. D., Damico, J.N., and Barron, R.: Comparison of mass spectra of some
biologically important compounds as obtained by various ionization techniques.
Anal. Chem.: 47, 207-219, 1975.
70. Kim, S.J., Kwon-Chung, K.J., Milne, G.W.A.,
Hill, W. B., and Patterson, G.: Relationship between polyene resistance and
sterol compositions in cryptococcus neoformans. Antimicrobial Agents and
Chemother.: 7, 99-106, 1975.
71. Heller, S.R., Fales, H.M., Milne, G.W.A.,
Feldmann, R. J., Daly, N. R., Maxwell, D. C., and McCormick, A.: An experimental
international conversational mass spectral search system. Adv. Mass Spec.: 6,
1037-1042, 1975.
72. Feldmann, R. J., Milne, G. W. A., and Heller,
S. R.: Crystallographic data retrieval and display: Projection of information
system development. Trans. of the Amer. Cryst. Assoc.: 12, 75-83, 1976.
73. Shaw, G.J., Wright, G. J., and Milne, G. W. A.:
The synthesis of ,,,-tetradeuteroserotonin. Biomed. Mass Spec.: 3, 146-148,
1976.
74. Shaw, G. J., and Milne, G. W. A.: Synthesis and
Properties of dodecane-1,12-13C2 and
dodecane-1,1,1,12,12,12-2H6. J. Lab. Compds. and
Radiopharm.: 12, 557-563, 1976.
75. Daniels, P.J.L., Mallams, A.K., Weinstein, J.,
Wright, J. J., and Milne, G.W. A.: Mass spectral studies on
aminocyclitol-aminoglycoside antibiotics. J. Chem.Soc. Perkin I: 1078-1088,
1976.
76. Heller, R.S., Milne, G.W.A., Feldmann, R. J.,
and Heller, S.R.: An international mass spectral search system (MSSS). V. A
status report. J. Chem. Inf. and Comp. Sci.: 16, 176-178, 1976.
77. Milne, G.W.A., and Heller, S.R.: The
MSDC/EPA/NIH mass spectral search system. Amer. Lab.: 8, 43-54, 1976.
78. Heller, S.R., Milne, G.W.A., and Feldmann,
R.J.: Quality control of chemical data bases. J. Chem. Inf. and Comp. Sci.: 16,
232-233, 1976.
79. Shaw, G.J., Wright, G. J., and Milne, G. W.A.:
Synthesis and mass spectra of some specifically deuterated tryptamines. Biomed.
Mass Spec.: 4, 348, 1977.
80. Borchers, F., Levsen, K., and Milne, G. W. A.:
Kinetic investigations of hydrogen rearrangements in aliphatic and aromatic
esters. Adv. Mass Spec.: 7A, 162-170, 1977.
81. Heller, S.R., Milne, G.W.A., and Feldmann,
R.J.: A computer-based chemical information system. Science: 195, 253-259, 1977.
82. Heller, S.R., Heller, R.S., McCormick, A.,
Maxwell, D. C., and Milne, G. W. A.: Progress of the MSDC-NIH-EPA Mass Spectral
Search System. Adv. Mass Spec.: 7B, 985-8, 1977.
83. Levsen, K., Heimbach, H., Shaw, G.J., and
Milne, G.W.A.: Isomerization of hydrocarbon ions. VIII. The electron-impact
induced decomposition of n-dodecane. Org. Mass Spec.: 12, 663-670, 1977.
84. Vinton, V.A., Milne, G. W. A., and Heller,
S.R.: An on-line search system for the mass spectrometry literature. Analytica
Chimica Acta: 95, 41-49, 1977.
85. Feldmann, R.J., Milne, G.W.A., Heller, S. R.,
Fein, A., Miller, J.A., and Koch, B.: An interactive substructure search system.
J. Chem. Inf. and Comp. Sci.: 17, 157-163, 1977.
86. Dalrymple, D.L., Milne, G. W. A., Wilkins,
C.L., and Heller, S. R.: A 13C NMR data base and search system. Org.
Mag. Res.: 11, 535-540, 1978.
87. Milne, G.W.A., and Heller, S. R.: The NIH-EPA
Chemical Information System. Ch. 3 (pp.26-45) in 'Computer-Assisted Structure
Elucidation', Ed. D. Smith, American Chemical Society Symposium Series,
Washington, DC 1977.
88. Milne, G. W. A., Fales, H. M., and Law, N. C.:
The Use of Mass Spectrometry for Drug Identification. In "Instrumental
Applications in Forensic Drug Chemistry" (Eds. M. Klein, A.V. Krueghel and S. P.
Sobol). U.S.
Govt.Printing Office, Washington,
DC, 20402.
Stock Number 027-000-00770-8 (1978).
89. Zupan.J., Heller, S.R., and Milne, G.W.A.:
Three-Dimensional Representation of CNMR Spectra. Bull. Slovenian Chem. Soc.,
25, 37-49, 1978.
90. Zupan, J., Heller, S.R., Milne, G.W.A., and
Miller, J. A.: A Substructure Oriented 13C NMR Chemical Shift
Retrieval System. Anal. Chimica Acta: 103, 141-149, 1978.
91. Milne, G.W.A., Zupan, J., Heller, S.R., and
Miller, J. A.: Spectra-Structure Relationships in Carbon-13 Nuclear Magnetic
Resonance Spectroscopy. Results from a Large Data Base. Org. Mag. Res., 12,
289-296, 1979.
92. Heller, S.R., Milne, G.W.A., and Feldmann,
R.J.: The Mass Spectral Search System. Proceedings of the Fifth Biennial
International CODATA Conference, Pergamon Press,
New York, 1977, p. 549.
93. Heller, S.R., Milne, G. W.A., and Feldmann,
R.J.: A Computer-Based Chemical Information System. Proceedings of the Third
International Conference on Computer Research, Education and Technology,
Caracas. Eds. E. Ludena and F.
Brito. Pages 153-158, 1978.
94. Heller, S. R., and Milne, G.W.A.: The NIH-EPA
Chemical Information System. Ch. 10 (pp.144-167) in ACS Symposium #84 (Eds. M.
Milne and J. Howe). American Chemical Society,
Washington,
DC, 1978.
95. Heller, S.R., and Milne, G.W.A.: The NIH-EPA
Chemical Information System in Support of TSCA Monitoring Activities.
Ch. 16 (pp.
255-280) in ACS Symposium #94 (Ed. D. Schuetzle). American Chemical Society,
Washington,
DC, 1978.
96. McGill, J.R., Heller, S. R., and Milne, G.W.A.:
A Computer-Based Toxicology Search System. J. Env. Path. & Tox., 2, 539-551,
1978.
97. Milne, G.W.A., Heller, S.R., Fein, A.E., Frees,
E. F., Marquart, R. G., McGill, J.A., Miller, J. A., and Spiers, D.S.: The
NIH-EPA Structure and Nomenclature Search System. J. Chem. Inf. & Comp.
Sci., 18, 181-186, 1978.
98. Marquart, R.G., Katsnelson, I, Milne, G.W.A.,
Heller, S. R., Johnson, G. G., and Jenkins, R.: A Search-Match System for X-Ray
Powder Diffraction Data. J. Appl. Cryst., 12, 629-634, (1979).
99. Heller, S.R., and Milne, G. W. A.: The NIH-EPA
Chemical Information System in Support of TSCA Monitoring Activities. Env. Sci.
& Tech., 13, 798-803, 1979.
100. Heller, S.R., Milne, G.W.A., and Feldmann,
R.J.: The Mass Spectral Search System, Proceedings of the 6th International
CODATA Conference, pp.549-552, ed.B. Dreyfus, Pergamon Press 1977.
101. Meisel, W., Jolley, M., Heller, S.R., and
Milne, G.W.A.: The Role of Pattern Recognition in the Computer-Aided
Interpretation of Mass Spectra. Anal. Chim. Acta, 112, 407-416, (1979).
102. Hopfinger, A.J., Potenzone, R., Pearlstein,
R., Kikuchi, O., Shapiro, M., Milne, G.W.A., and Heller, S. R.:
Structure-Activity Analyses in the Classification of Toxic Chemicals. Proc.
Symp. on Safe Handling of Chemical Carcinogens, Ann Arbor Press, Ann Arbor, MI,
2, 385-409, (1979).
103. Heller, S.R., and Milne, G. W. A.: The NIH-EPA
Chemical Information System. Database, 2, 69-79, 1979.
104. Shaw, G.J., Milne, G. W. A., and Minghetti,
A.: Propionate Precursors in the Biosynthesis of Daunomycin and Adriamycin. A
13C Nuclear Magnetic Resonance Study. Phytochemistry, 18, 178-179,
(1979).
105. Heller, S. R., and Milne, G. W. A.: The
NIH-EPA Chemical Information System in support of structure elucidation. Vestn.
Slov. Kem. Drug., 26, 37-42, (1979).
106. Heller, S.R., and Milne, G.W.A.: Linking
Scientific Data Bases - The NIH-EPA Chemical Information System. Database, 3,
45-57, (1980).
107. Marquart, R.G., Marquart, L., Mintz, S.,
McGill, J. R., McDaniel, J., Heller, S. R., and Milne, G.W.A.: A Federal
Register Notices Search System. Online, 4, 45-49, (1980).
108. Fisk, C.L., Milne, G.W.A., and Heller, S. R.:
The Status of Infrared Databases. J. Chromat., 17, 441-444, 1979.
109. Milne, G.W.A., Heller, S. R., Heller, R. S.,
and Martinsen, D. P.: The NIH-EPA Chemical Information System. Adv. Mass Spec.,
8B, 1578-1581, (1980).
110. Heller, S.R., and Milne, G. W. A.: The NIH-EPA
Chemical Information System in support of Structure Elucidation. Anal. Chim.
Acta, 122, 117-138, (1980).
111. Milne, G. W. A., and Heller, S. R.: The
NIH-EPA Chemical Information System. J. Chem. Inf. & Comp. Sci., 20,
204-211, (1980).
112. Heller, S. R., and Milne, G. W.A.: Online
Spectroscopic Data Bases. Amer. Lab.: 12, 33-48, (1980).
113. Dillard, J. G., Heller, S. R., McLafferty, F.
W., Milne, G. W. A., and Venkataraghavan, R.: Critical Evaluation of Class II
and Class III Electron Impact Mass Spectra. Operating Parameters and Reporting
Mass Spectra. Org. Mass Spectrom.: 16, 48-49, (1981).
114. Norton, J. A., Shamberger, R., Stein, T. P.,
Milne, G. W. A., and Brennan, M.: The Influence of Tumor-Bearing on Protein
Metabolism in the Rat. J. Surg. Res.: 30, 456-462, (1981).
115. Heller, S. R., and Milne, G. W. A.: The
NIH-EPA Chemical Information System. CODATA Bulletin, 40, 41-44, (1981).
116. Heller, S. R., Potenzone, R., Milne, G. W. A.,
and Fisk, C. L.: Computers in Analytical Chemistry. Trends in Analytical
Chemistry, 1, 41-45, (1981).
117. Milne, G. W. A., The Use of Computers in
Chemical Structure Determination. Chapter 6 in "Natural Products as Medicinal
Agents" (Eds. J. A.Beal and E. Reinhard), Hippokrates Verlag,
Stuttgart,
Germany (1981).
118. Milne, G. W. A., Fisk, C. L., Heller, S. R.,
and Potenzone, R.: Environmental Uses of the NIH-EPA Chemical Information
System. Science, 215, 371-375, (1982).
119. Pearlstein, R. A., Malhotra, D., Harr, R.,
Orchard, B.J., Tripathy, S. K., Hopfinger, A. J., Potenzone, R., Heller, S. R.,
and Milne, G. W. A.: A New Molecular Modelling Software Package: The Chemical
Modelling Laboratory (CHEMLAB). Computers in Chemistry, in Press (1982).
120. Milne, G. W. A., Budde, W. L., Heller, S. R.,
Martinsen, D. P., and Oldham, R.G., Quality Control and Evaluation of Mass
Spectra. Org. Mass Spectrom., 17, 547-552, (1982).
121 Milne, G. W.A., Development of a Chemical
Information System. J. Assoc. Official Analyt. Chemists, 65, 1249-1258, (1982).
122. Milne, G. W. A.: Chemical Information Systems.
Proceedings of the 6th.International Conference on Computers in Chemical
Research and Education, (Eds. Heller, S.R.and Potenzone, R.). Elsevier,
Amsterdam (1982), pp.45-60.
123. Milne, G. W. A., A Computer System for Use in
the Review of Old Drugs. Med. Pediatr. Oncol., 11, 519A-529B, (1983).
124. Heller, S. R., Budde, W. L., Martinsen, D. P.,
and Milne, G. W. A.: The NIH/EPA Mass Spectral Data Base and Search System. Int.
J. Mass Spec. & Ion Phys., 47, 313-316, (1983).
125. Milne, G. W. A., and Miller, J. A. The NCI
Drug Information System. I. System Overview. J. Chem. Inf. & Comp. Sci., 26,
154-159, (1986).
126. Milne, G. W. A., Feldman, Alfred, Miller, J.
A., Daly, G. P. and Hammel, M. J.: The NCI Drug Information System. II. The DIS
Pre-Registry. J. Chem. Inf. & Comp. Sci., 26, 159-168, (1986).
127. Milne, G. W. A., Feldman, Alfred, Miller, J.A.
and Daly, G. P. The NCI Drug Information System. III. The DIS Chemistry Module.
J. Chem. Inf. & Comp. Sci., 26, 168-179, (1986)
128. Milne, G. W. A., Miller, J. A. and Hoover, J.
R.: The NCI Drug Information System. IV. Inventory and Shipping Modules. J.
Chem. Inf. & Comp. Sci., 26, 179-185, (1986).
129. Zehnacker, M. T., Brennan, R.H., Milne, G. W.
A., and Miller, J. A.: The NCI Drug Information System. V. The DIS Biology
Module. J. Chem. Inf. & Comp. Sci., 26, 186-193, (1986).
130. Zehnacker, M. T., Brennan, R. H., Milne, G. W.
A., Miller, J.A. and Hammel, M. J.: The NCI Drug Information System. VI. System
Maintenance. J. Chem. Inf. & Comp. Sci., 26, 193-197, (1986).
131. Quinn, F. R. And Milne, G. W. A.: Toxicities
Derived from Antitumor Screening Data. Fund. App. Tox., 6, 270-277,
(1986).
132. Milne, G. W. A.: A Data Base System That
Relies Heavily on Graphics. Ch. 10 (pp.102-119) in ACS Symposium #341 (Ed. W.
Warr). American Chemical Society, Washington,
DC, 1987.
133. Milne, G. W. A., Driscoll, J. S. and Marquez,
V. E.: Molecular Modelling in Drug Design. Proc. Montreux Intnl. Chem. Inf.
Conf., 1, 19-40, (1989).138. Tseng, Christopher K.-H., Marquez, V. E., Milne, G.
W. A., Mitsuya, H., Shirasaki, T., Wysocki, R. J. and Driscoll, J. S.: A
Ring-Enlarged Oxetanocin A Analogues as an Inhibitor of HIV Infectivity. J. Med.
Chem.: 34, 343-349, (1991).
134. Milne, G. W. A.: Generic Formulation of
Chemical Composition. World Patent Info.: 13,76-80, (1991).
135. Milne, G. W. A.: Very Broad Markush Claims; A
Solution or a Problem? J. Chem. Inf. & Comp. Sci., 31, 9-30,
(1991).
136. Milne, G. W. A. and Willett, P.: A Tribute to
Michael F. Lynch. J. Chem. Inf. & Comp. Sci., 31, 175, (1991).
137. Milne, G. W. A.: About Computers (Guest
Editorial). ChemTech, 21, 648, (1991).
138. Héthelyi, E., Milne, G. W. A., Podányi, B.,
Koczka, I., Neszmélyi, A.: Composition of the Essential
Oil of Clone 409 of Tanacetum vulgare 2D NMR Investigation of
trans-Chrysanthenyl Acetate. J. Essential Oils, 4, 243-250, (1992).
139. Teng. Kelley, Marquez, V. M., Milne, G. W. A.,
Barchi, J. J., Kasanietz, M. G., Lewin, N. E., Blumberg, P., Abushanab, E.:
Conformationally Constrained Analogues of Diacyl Glycerol. Interaction of
-Lactones with the Phorbol Ester Receptor of Protein Kinase C. J. Amer. Chem.
Soc., 114, 1059-1070, (1992).
140. Milne, G. W. A. and Nicklaus, M. C.: Use of
Computer Graphics in Drug Design. In "Medications, - Drug Discovery, Databases
and Computer-Aided Drug Design". National Institute for Drug Abuse, ADAMHA,
Washington,
DC. (1992).
141. Dias, J. R. and Milne, G. W. A.: Chemical
Applications of Graph Theory. J. Chem. Inf. & Comp. Sci., 32, 1,
(1992).
142. Milne, G. W. A.: DrawPerfect and CorelDraw.
Software Review. J. Chem. Inf. & Comp. Sci., 32, 570, (1992).
143. Hendrickson, M., Nicklaus, M. C., Zaharevitz,
D. W. and Milne, G. W. A. CONCORD and
CAMBRIDGEComparison of Modeled
Structures with X-Ray Data. J. Chem. Inf. & Comp. Sci., 32, 155-163,
(1992).
144. Nicklaus, M. C., Milne, G. W. A. and Burke
Jr., T. R. QSAR of Conformationally Flexible Molecules: Comparative Molecular
Field Analysis of Protein-Tyrosine Kinase Inhibitors. J. Comp. Aided Mol. Des.,
6, 487-504, (1992).
145. Milne, G. W. A., Nicklaus, M. C. and Hodoek,
M. Molecular Modeling in Solvent. J. Mol. Struct., 291, 89-103,
(1993).
146. Nicklaus, M. C., Milne, G. W. A., and
Zaharevitz, D. Chem-X and Cambridge.
Comparison of Computer-Generated Chemnical Structures with X-Ray
Crystallographic Data. J. Chem. Inf. Comp. Sci., 33, 639-646, (1993)
147. Wang. S., Milne, G. W. A. Applications of
Computers to Toxicological Research. Chem. Res. Tox., 6, 748-753
(1993)
148. Sharma, R., Marquez, V. E., Milne, G. W. A.,
Lewin, N. E., Blumberg, P. Conformationally Constrained Analogues of
Diacylglycerol. 5. 2,5-Dideoxy-3-O-tetradecaloyl-D-galactono-1,4-lactone: A
Superior Homologue of 3-O-tetradecanoyl-2-deoxy-L-ribonolactone with PK-C
Binding Affinity. Bioorg. & Med. Chem. Lett., 3, 1993-1998,
(1993)
149. Wang, S., Milne, G. W. A., Nicklaus, M. C.,
Marquez, V. M., Lee, J., Blumberg, P. M. Protein Kinase C. Modeling of the
Binding Site and Prediction of Binding Constants. J. Med. Chem., 37, 1326-1338,
(1994)
150. Wang, S., Zaharevitz, D. W., Sharma, R.,
Marquez, V., Lewin, N. E., Du L., Blumberg, P. M. and Milne, G. W. A., The
Discovery of Novel, Structurally Diverse PK-C Agonists through Computer
3D-Database Search. Molecular Modeling Studies. J. Med. Chem., 37, 4479-4489,
(1994).
151. Yan, Xinjian, Wang, Shaomeng, Hodoek, Milan,
Milne, G. W. A. Prediction of Geometries and Interaction Energies of Complexes
Formed by Small Molecules Using Semi-empirical and ab inito methods. J. Mol.
Struct., 309, 279-294, (1994).
152. Milne, G. W. A., Wang, S., Zaharevitz, D.,
Driscoll, J. S. The NCI Drug Information System 3D Database. J. Chem. Inf.
Comput. Sci., 34, 1219-1224, (1994).
153. Wang, Shaomeng, Milne, G. W. A., Klopman, G.
Graph Theory and Group Contributions in the Estimation of Boiling Points of
Organic Compounds. J. Chem. Inf. Comp. Sci., 34, 1241-1250, (1994).
154. Nicklaus, M. C., Wang, Shaomeng, Driscoll, J.
S. Milne, G. W. A. Conformational Changes of Small Molecules Binding to
Proteins. Bioorg. Med. Chem., 3, 411-428, (1994).
155. Milne, G. W. A. Trends in Chemical
Information. Proc. Annecy Intnl. Chem. Inf. Conf., 6, 6-17, (1994).
156. Nicklaus, M. C., Ford Jr., H., Hegedus, L.,
Milne, G. W. A. and Kelly, J. A. Comparative Molecular Field Analysis of
Hydrophobicity Descriptors of Cytosine Nucelosides. Quan. Str. Act. Rel., 14,
335-343, (1995).
157. Acs, Geza, Marquez, V. E., Wang, Shaomeng,
Milne, G. W. A., Lewin, N., Blumberg, P. M. Resiniferotoxin-Amide and Analogs as
Ligands for Protein Kinase C and Vanilloid Receptors and Determination of Their
Biological Activities as Vanilloids. J. Neurochem., 65, 301-308, (1995).
158. Milne, G. W. A. The Visual Display of
Quantitative Information; Envisioning Information. Book Review. J. Chem. Inf.
Comput. Sci., 35, 655-656, (1995).
159. Sharma, R., Lee, J., Wang, S., Milne, G. W.
A., Lewin, N. E., Blumberg, P. M., Marquez, V. E. Conformationally Constrained
Analogues of Diacylglycerol. 10. Ultrapotent Protein Kinase C (PK-C) Ligands
Based on a Racemic 5-Disubstituted Tetrahydro-2-Furanone Template. J. Med.Chem.
39, 19-28, (1995).
160. Lee, J., Wang, S., Milne, G. W. A., Sharma,
R., Lewin, N. E., Blumberg, P. M., Marquez, V. E. Conformationally Constrained
Analogues of Diacylglycerol. 11. Ultrapotent Protein Kinase C (PK-C) Ligands
Based on a Chiral 5-Disubstituted Tetrahydro-2-Furanone Template. J. Med. Chem.
39, 29-35, (1995).
168. Lee, J., Sharma, R., Wang, S., Milne, G. W.
A., Lewin, N. E., Szallazi, Z., Blumberg, P. M., George, C., Marquez, V. E.
Conformationally Constrained Analogues of Diacylglycerol. 10. Ultrapotent
Protein Kinase C (PK-C) Ligands Based on a Chiral 4-Substituted
Heptono-1,4-Lactone Template. J. Med. Chem. 39, 36-45, (1995).
162. Wang, Shaomeng, Milne, G. W. A., Yan, Xinjian,
Posey, Isadora, Nicklaus, M. C., Graham, Lisa and Rice, William G. Discovery of
Novel, Non-Peptide HIV-1 Protease Inhibitors by Pharmacophore Searching. J. Med.
Chem., 40, 2047-2054, (1996).
163. Mazumder, Abhijit, Wang, Shaomeng, Neamati,
Nouri, Nicklaus, Marc, Sunder, Sanjay, Chen, Julie, Milne, George W. A., Rice,
William G., Pommier, Yves. Antiretroviral Agents as Inhibitors of Both Human
Immunodeficiency Virus Type 1 Integrase and Protease. J. Med. Chem., 40,
2472-2481, (1996).
164. Wang, Shaomeng, Kazanietz, Marcelo G.,
Blumberg, Peter M., Marquez, Vicxtor E., Milne, G. W. A. Molecular Modeling and
Site-Directed Mutagenesis Studies on the Phorbol Ester Binding Site in Protein
Kinase C. J. Med. Chem., 40, 2541-2553, (1996).
165. Milne, G. W. A., Wang, Shaomeng, Nicklaus, M.
C. Molecular Modeling in the Discovery of Lead Drugs. J. Chem. Inf. Comput.
Sci., 36, 726-730, (1996).
166. Milne, G. W. A., Wang, Shaomeng, Fung, V. Use
of Computers in Toxicology and Chemical Design. In Use of Computers in
Toxicology and Chemical Design. ACS Symposium Series #640, pp. 138-155, ACS,
Washington, DC (1996).
167. Yan, X., Hollis, T., Svinth, M., Day, P.,
Monzingo, A. F., Milne, G. W. A., Robertus, J. D. Structure-Based Identification
of a Ricin Inhibitor. J. Mol. Biol., 266, 1043-1049, (1997).
168. Yan, X., Day, P., Hollis, T., Monzingo, A. F.,
Schelp, E., Robertus, J. D., Wang, S., Milne, G. W. A. Recognition and
Interaction of Small Rings with the Ricin A Chain Binding Site. Proteins, 31,
33-41, (1998).
169. Zhao, H., Neamati, N., Hong, H., Mazumder, A.,
Wang, S., Sunder, S., Milne, G. W. A., Pommier, Y., Burke Jr., T. R.
Coumarin-Based Inhibitors of HIV Integrase. J. Med. Chem., 40, 242-249,
(1997)
170. Hong, H., Neamati, N., Wang. S., Nicklaus, M.
Mazumder, A., Pommier, Y., Burke, T. R., Zhao, H., Milne, G. W. A. Discovery of
Human Immunodeficiency Virus Type 1 Integrase Inhibitors by Pharmacophore
Searching. J. Med. Chem., 40, 930-936, (1997).
171. Nicklaus, M. C., Neamati, N., Hong, H.,
Mazumder, A., Sunder, S., Chen, J., Milne, G. W. A., Pommier, Y. HIV-1 Integrase
Pharmacophore: Discovery of Inhibitors Through 3D Database Searching. J. Med.
Chem., 40, 920-929, (1997).
172. Zhao, H., Neamati, N., Hong, H., Milne, G. W.
A., Pommier, Y., Burke Jr., T. R. Hydrazide-Containing Inhibitors of HIV-1
Integrase. J. Med. Chem., 40, 937-941, (1997).
173. Neamati, N., Hong, H., Mazumder, A., Wang, S.,
Sunder, S., Milne, G. W. A., Proksa, B., Pommier, Y. Depsides and Depsidones as
Inhibitors of HIV-1 Integrase: Discovery of Novel Inhibitors Through 3D Database
Searching. J. Med. Chem., 40, 942-951, (1997).
174. Milne, G. W. A. Mathematics as
a Basis for Chemistry. J. Chem. Inf. Comput. Sci., 37, 639-644,
(1997).
175. Milne, G. W. A. , Nicklaus, M.
C, Wang, S. Pharmacophores in Drug Design and Discovery. In: SAR QSAR Environ.
Res., 9, 23-38, (1998).
176 Neamati, N., Hong, H.,
Sunder, S., Milne, G. W. A., Pommier, Y. Potent Inhibitors of Human
Immunodeficiency Virus Type I Integrase: Identification of a Novel Four-Point
Pharmacophore andTetracyclines as Novel Inhibitors. Mol. Pharm., 52, 1041-1055,
(1997).
177. Hong, H., Milne, G. W. A., Nicklaus, M. C.
HIV-1 Integrase Pharmacophore Identification. J. Chem. Inf. Comp. Sci.,
submitted (7/30/97).
178. Milne, G. W. A. Pharmacophores and Drug
Discovery. Encyclopedia of Computational Chemistry, Schleyer, P. v. R., Editor,
in press (1998).
179 Drake, R. R., Neamati, N., Hong, H., Pilon, A.
A., Sunthankar, P., Hume, S. D. , Milne, G. W. A., Pommier, Y. Identification of
a Nucleotide Binding Site in HIV-1 Integrase. Proc. Natl. Acad. Sci. U.S.A., 95,
4170-4175, (1998).
180. Neamati, N, Hong, H., Owen, J. M., Sunder, S.,
Winslow, H., Zhao, H., Burke Jr., T. R.; Milne, G. W. A., Pommier, Y.
Salicyl-Hydrazine Containing Inhibitors of HIV-1 Integrase: Implication for a
Selective Chelation in the Integrase Active Site. J. Med. Chem. 41, 3202-3209,
(1998).
181. Hong, H., Neamati, N., Winslow H. E.,
Christensen, J. L., Orr, A., Pommier, Y., Milne, G. W. A. Identification of
HIV-1 Integrase Inhibitors Based on a Four Point Pharmacophore. Antivir. Chem.
Chemother., 9, 461-472, (1998).
182. Burke, T. R., Yao, S. J., Zhao, H., Milne, G.
W. A., Wu, L., Zhang, Z. Y., Voigt, J. H. Tetrahedron, 54, 9981-9994,
(1998).
183. Yao, Z. J., King, C. R., Cao,
T., Kelley, J., Milne, G. W. A., Voigt, J. H., Burke Jr., T. R. Potent
Inhibition of Grb2 SH2 Domain Binding by Non-Phosphate-Containing Ligands. J.
Med. Chem., 42, 25-35, (1999).
184. Burke Jr., T. R., Luo, J.,
Yao, Z. J., Gao, Y., Zhao, H., Milne, G. W. A., Guo, R., Voigt, J. H., King, C.
R., Yang D. Bioorg. Med. Chem. Lett., 9, 347-352, (1999).
185. Marquez, V. E., Nacro, K.,
Benzaria, S., Lee, J., Sharma, R., Teng, K., Milne, G. W. A., Bienfait, B.,
Wang, S. M., Lewin, N. E., Blumberg, P. M. Pharm. & Ther., 82, 251-261,
(1999)
186. Marquez, V. E., Lee, J.,
Sharma, R., Wang, S., Milne, G. W. A., Nicklaus, M. C., Blumberg, P. M., Lewin,
N. E. Conformationally Constrained Diacylglycerol Analogs. U. S. Patent
5,874,464. Feb. 23,
1999.
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