 | Name：FAN Jianfen Title：Professor Contacts： Tel: 86-512-65882890 (Lab) Email: jffan@maxbocai.com Group Website |
Professor (Physical Chemistry) B.S. Nanjing University of Science and Technology (1986) M.S. Nanjing University of Science and Technology (1989) Ph.D. Nanjing University of Science and Technology (1997) Research Interests: molecular dynamic simulation on peptide structures and properties of peptide nanotubes; theoretical study on the reaction mechanisms of organic synthesis. Representative Publications 1. The Relationship between the Permeation-Diffusion Parameters for a Single-file Channel,J. Liu, J. F. Fan*, Chinese Phys. Lett. 2012, in press. 2. The influences of water solvent on the structures and stabilities of Na+–AD conformers, J. F. Fan*, M. Tang, L. G. Qiao, et al. Amino Acids2010, 39, 685. 3.Water diffusion behavior and transportation properties in trans- membrane cyclic hexa-, octa- and deca-peptide nanotubes, J. Liu, J. F. Fan*, M. Tang, et al., J. Phys. Chem. B 2010, 114, 12183. 4. Molecular dynamics simulation for the structure of the water chain in a transmembrane peptide nanotube, J. Liu, J. F. Fan*, M. Tang, et al., J. Phys. Chem. A2010, 114, 2376. 5.Investigation on the micro-mechanisms of Al3+ interfering the reactivities of aspartic acid and its biological processes with Mg2+,J. F. Fan*, L. J. He, J. Liu,J. Mol. Model.2010, 16 16, 1639. 6. DFT Study on the Role of Methanol Solvent in Morita–Baylis– Hillman Reaction, J. F. Fan*, Ch. H. Yang, L. J. He,Int. J. Quantum Chem. 2009, 109, 1311 7.Theoretical insight into the influences of a-substituents in aliphatic aldehydes on the enantio-selectivities of aldol reactions, J. F. Fan*., L. J. He, Y. P. Sun, Chirality2008, 20, 54. 8.Poor enantioselectivity of the direct aldol reaction catalyzed by (S,S)-proline dipeptide: a density functional study, J. F. Fan*, L. F. Wu, F. M. Tao, Int. J. Quantum Chem.2008, 108, 66. 9.DFT study on the origin of the enantioselectivity of (S)-4-hydroxylproline-catalyzed direct aldol reaction between acetone and 4-nitrobenz-aldehyde, J. F. Fan*, L. F. Wu,Y. P. Sun,Chinese J. Chem. 2007, 25, 472. 10. DFT study on the (S)-proline-catalyzed direct aldol reaction between acetone and 4-nitrobenzaldehyde. J. F. Fan*, L. F. Wu, Chinese J. Struct. Chem.2006, 25(4), 433. 11. AM1 transition state modeling for the enantioselectivities in the chiral oxazaborolidine-catalyzed reductions of α- and β-aminoketones,J. F. Fan*, Y. X. Lu, Q. X. Wang, L. F. Wu, Chinese J. Chem. 2005, 23, 517. 12.Theoretical study on the optical activitities of the final products in the enantioselective reductions of b-aminoketones, J. F. Fan*, Q. X. Wang, Y. X. Lu,J. Mol. Struct. (Theochem)2004, 674, 49. | |