Publications

1. Lim, D.; Moyna, G. Teaching New Tricks to an Old Dog. Implementation of Shaped Radiofrequency Pulses in Older NMR Spectrometers. J. Chem. Ed. 2001 (in preparation).
2. Zanger, M.; Moyna, G. Measurement of the Isotopic Ratio of 10B/11B in Aqueous NaBH4 solutions. An Introductory NMR Spectroscopy Experiment for Freshman Chemistry Laboratories. J. Chem. Ed. 2001 (in preparation).
3. Swalina, C. W.; Moyna, G. Calculation of 13C NMR Chemical Shifts in Disaccharides. A Thorough Comparison of Results from DFT ab initio Methods to Experimental Data. J. Molec. Struct. (Theochem) 2001 (in preparation).
4. Banghart, M.; Grady, S.; Ren, H.; Freyer, A.; Moyna, G. Assignment of the 1H- and 13C-NMR Spectra of Purpurogallin Derivatives. Revision of the Structure of Purpurogallin Tri-Methylether. J. Braz. Chem. Soc. 2001 (submitted).
5. Dejoux, A.; Cieplak, P.; Hannick,, N.; Moyna, G.; Dupradeau, F.-Y. AmberFFC, A Flexible Program to Convert AMBER and GLYCAM Force Fields for use with Commercial Molecular Mechanics Packages. J. Mol. Model. 2001 (accepted for publication).
6. Swalina, C. W.; O'Brien, E. P.; Moyna, G. A Study of the Temperature-Dependent Conformational Averaging of 1H-NMR Resonances in Vinylcyclopropane Through the Use of Ab Initio Methodology and Boltzmann Statistics. Magn. Reson. Chem. 2001 (accepted for publication).
7. Swalina, C. W.; Zauhar, R. J.; DeGrazia, M. J.; Moyna, G. Derivation of 13C Chemical Shift Surfaces for the Anomeric Carbons of Oligosaccharides and Glycopeptides Using Ab Initio Methodology. J. Biomolec. NMR 2001, 21, 49-61.
8. Ren, H.; Grady, S.; Gamenara, D.; Heinzen, H.; Moyna, P.; Croft, S. L.; Moyna, G. Design, Synthesis, and Biological Evaluation of a Series of Simple and Novel Potential Antimalarial Compounds. Bioorg. Med. Chem. Lett. 2001, 11, 1851-1854.
9. Nachman, R. J.; Moyna, G.; Williams, H. J.; Zabrocki, J.; Zadina, J. E.; Coast, G. M.; Broeck, J. V. Comparison of active conformations of the insectatachykinin/tachykinin and insect kinin/Tyr-W-MIF-1 neuropeptide family pairs. Ann. N. Y. Acad. Sci. 1999, 897, 388-400.
10. Moyna, G.; Williams, H. J.; Nachamn, R. J.; Scott, A. I. Detection of Nascent Polyproline II Helices in Solution by NMR in Synthetic Insect Kinin Neuropeptide Mimics Containing the X-Pro-Pro-X Motif. J. Peptide Res. 1999, 53, 294-301.
11. Moyna, G.; Williams, H. J. Nachamn, R. J.; Scott, A. I. Conformation in Solution and Dynamics of a Structurally Constrained Linear Insect Kinin Pentapeptide Analog. Biopolymers 1999, 49, 403-413.
12. Williams, H. J.; Moyna, G.; Scott, A. I.; Hamada, H.; Lwin, W. W.; Tanaka, T.; Furuya, T. Biotransformation Products of (5R)-(+)-Pulegone and (2S,5R)-(-)-Menthone Produced by Cultured Cells of Catharanthus roseous. J. Indian Chem. Soc. 1998, 75, 838-840.
13. Nachman, R. J.; Moyna, G.; Williams, H. J., Tobe, S. S.; Scott, A. I. Synthesis, Biological Activity, and Conformational Studies of Insect Allatostatin Neuropeptide Analogs Incorporating Turn Promoting Moieties. Bioorg. Med. Chem. 1998, 6, 1379-1388.
14. Moyna, G.; Zauhar, R. J.; Williams, H. J.; Nachman, R. J.; Scott, A. I. Comparison of Ring Current Methods for use in Molecular Modeling Refinement of NMR Derived Three Dimenssional Structures. J. Chem. Inf. Comp. Sci. 1998, 38, 702-709.
15. Williams, H. J.; Moyna, G.; Vinson, S. B.; Scott, A. I.; Bell, A. A.; Stipanovic, R. D. b-Caryophyllene Derivatives from the Wild Cottons Gossypium armorianum Kearn., G. Harknessii Brandg., and G. turneri Fryx. Nat. Prod. Lett. 1997, 11, 25-30.
16. Moyna, G.; Williams, H. J.; Scott, A. I.; Ringel, I.; Gorodetsky, R.; Swindel, C. S. Conformational studies of taxol analogs modified at the C-2' position in hydrophobic and hydrophilic solvent systems. J. Med. Chem. 1997, 40, 3305-3311.
17. Moyna, G.; Hernández, G.; Williams, H. J.; Nachman, R. J.; Scott, A. I. Development of Weiner et al. force field parameters suitable for conformational studies of [1,4]-benzodiazepines and related compounds. J. Chem. Inf. Comp. Sci. 1997, 37, 951-956.
18. Moyna, G.; Williams, H. J.; Scott, A. I. Preparation of aminated taxol side chain precursors. A simple approach to 2,3-diaminoacids using the b-lactam synthon method. Syn. Comm. 1997, 27, 1561-1567.
19. Moyna, G.; Mediwala, S.; Williams, H. J.; Scott, A. I. A simple algorithm for superimposing sets of NMR derived structures: Its application to the conformational study of cephalomannine in lipophobic and lipophilic solution. J. Chem. Inf. Comput. Sci. 1996, 36, 1224-1227.
20. Williams, H. J.; Moyna, G.; Scott, A. I.; Swindell, C. S.; Chirlian, J. M.; Heerding, J. M.; Williams, D. K. NMR and molecular modeling study of the conformation of taxol 2'-acetate in chloroform and aqueous dimethylsulfoxide solutions. J. Med. Chem. 1996, 39, 1555-1559.
21. Moyna, G.; Williams, H. J.; Scott, A. I. An improved procedure for the epoxidation of methyl cinnamate derivatives and production of acid sensitive epoxides. Syn. Comm. 1996, 11, 2235-2239.
22. Williams, H. J.; Sattler, I.; Moyna, G.; Scott, A. I.; Bell, A. A.; Vinson, S. B. Diversity in cyclic sesquiterpene production by Gossypium Hirsutum. Phytochemistry 1995, 6, 1633-1636.
23. Hamada, H.; Sanada, K.; Ikeda, S.; Oda, T.; Williams, H. J.; Moyna, G.; Scott, A. I. Epimerization of taxol in human cancer cells. Nat. Prod. Lett. 1996, 8, 113-117.
24. De Vries, J. X.; Sack, I. W.; Voss, A.; Forster, W.; Ilisistegui Pons, P.; Stoetzer, F.; Spraul, F.; Ackermann, M.; Moyna, G. Metabolism of benzobromarone in man: structures of new oxidative metabolites, 6-hydroxy- and 1'-oxo-benzobromarone, and the enantioselective formation and elimination of 1'-hydroxybenzobromarone. Xenobiotica 1993, 23, 1435-1450.
25. Moyna, G.; Cernadas, J.; Mussio, L.; Hernández, G. Implementation of Fourier transform rapid scan capabilities in continuous wave NMR spectrometers. J. Chem. Ed. 1993, 70, A314-A315.
26. Moyna, G.; Mussio, L. Updating an old NMR spectrometer using an IBM PC computer through the RS-232-C communication standard. J. Chem. Ed. 1993, 70, A78.

Other Publications

• Staying Flexible, by J. William Bell. Article featured in Access Magazine (National Center for Supercomputer Applications), Vol. 14, No. 1 (Spring 2001), pp. 14-17. Available on-line at the Access magazine web-page.

Poster and Conference Presentations

• Swalina, C. W.; O'Brien, E. P. ;Moyna, G. Prediction of the Temperature-Dependent Conformational Averaging of 1H-NMR Resonances in Vinylcyclopropane using Ab Initio Methodology and Boltzmann Statistics. 13th Annual Workshop on Recent Developments in Electronic Structure Algorithms, Princeton University, Princeton, New Jersey, June 15-18, 2001.
• DeGrazia, M.; Moyna, G. Design and Synthesis of Aminated Paclitaxel Analog Precursors. American Chemical Society Mid-Atlantic Regional Meeting, Towson University, Towson, Maryland, May 30-June 1, 2001.
• Swalina, C. W.; O'Brien, E. P.; Moyna, G. Computational Study of 1H and 13C Shielding Around a Cyclopropane Ring. American Chemical Society Mid-Atlantic Regional Meeting, Towson University, Towson, Maryland, May 30-June 1, 2001.
• Lim, D. Moyna, G. Teaching New Tricks to an Old Dog: Implementation of Shaped Pulses in Older NMR Spectrometers. American Chemical Society Mid-Atlantic Regional Meeting, Towson University, Towson, Maryland, May 30-June 1, 2001.
• Swalina, C.; DeGrazia, M.; Moyna, G. Computation of Oligosaccharide 13C Chemical Shifts. A Comparative Study of Hartree-Fock and DFT Ab Initio Methods at different Theory Levels. American Chemical Society Mid-Atlantic Regional Meeting, University of Delaware, Wilmington, Delaware, May 15-17, 2000.
• DeGrazia, M.; Swalina, C.; Moyna, G. 13C Chemical Shift Surfaces as tools for Conformational Studies of Oligosaccharides. Applications to Molecular Dynamic Simulation Trajectories of the Disaccharide a-Manp-(1Æ3)-b-Glcp-OMe. American Chemical Society Mid-Atlantic Regional Meeting, University of Delaware, Wilmington, Delaware, May 15-17, 2000.
• Moyna G. Use of NMR in Structural Elucidation and Conformational Studies of Biomolecules: Basic Concepts and Applications. Invited lecture, FDA, Philadelphia, Pennsylvania, March 1, 2000.
• Moyna, G.; Zauhar, R. J. Derivation of 13C Chemical Shift Surfaces for the Anomeric Carbons of Polysaccharides Using ab initio Methodology. 219th American Chemical Society National Meeting, New Orleans, Louisiana, August 22-26, 1999.
• Zauhar, R. J.; Moyna, G.; Welsh, W. J. Automating Drug Design Against Mutable Targets. 218th American Chemical Society National Meeting, Anaheim, California, March 19-24, 1999.
• Mahler, G.; Hernández, G.; Serra, G.; Moyna, G.; Manta, E. Synthesis of a new potential anthelmintic analog to the natural product mycothiazole. 8th Brazilian Meeting on Organic Synthesis, Sao Paulo, Brazil, September 7-11, 1998.
• Moyna, G. Uso de RMN y Modelado Molecular en estudios conformacionales de neuropéptidos. 1ras Jornadas de Jóvenes Investigadores en el Exterior - PEDECIBA QUIMICA. Facultad de Química, Montevideo, Uruguay, December 18-19, 1997.
• Nachman, R. J.; Moyna, G.; Williams, H. J.; Garside, C.; Tobe, S. S. Active conformation and peptidase resistance of the insect allatostatin neuropeptide family. XIII International Congress of Comparative Endocrinology, Yokohama, Japan, November 16-21, 1997.
• Moyna, G. Williams, H. J.; Scott, A. I. Synthesis and conformational studies of C-2' hydroxyl taxol analogs. 52nd Southwest Regional Meeting, American Chemical Society, Houston, Texas, October 17-19, 1996.