| 近年来共发表IF>3.0的论文 50 余篇,以下为近期代表性论文。 Xiaohua Chen, Liang Zhang, Zhiping Wang, Yuxiang Bu*, et al Relay Stations for Electron Hole Migration in Peptides: Possibility for Formation of Three-Electron Bonds along Peptide Chains______ J Phys Chem B 2008, 112, web-released. Laibin Zhang, Yuxiang Bu* Photophysical Characters of Rationally Designed Hetero-Ring-Expanded Guanine Analogs and Effect of Cytosine Pairing______ J Phys Chem B 2008, 112, 10723-10731. Huifang Li, Robert I. Cukier, and Yuxiang Bu* Remarkable Metal Counterion Effect on the Internucleotide J-Couplings and Chemical Shifts of the N-H...N Hydrogen Bonds in the W-C Base Pairs______ J Phys Chem B 2008, 112, 9174-9181. Zhaoxia Mou, Ping Li *, Yuxiang Bu*, et al Investigations of Coupling Characters in Ionic Liquids Formed between the 1-Ethyl-3-methylimidazolium Cation and the Glycine Anion______ J Phys Chem B 2008, 112(16), 5088-5097 Liang Zhang, Shihai Yan, R. I. Cukier, and Yuxiang Bu* Solvation of Excess Electrons in LiF Ionic Pair Matrix: Evidence for a Solvated Dielectron from Ab Initio Molecular Dynamics Simulations and Calculations______ J Phys Chem B 2008, 112(12), 3767-3772 Xiaohua Chen, Yuxiang Bu* Cation-Modulated Electron-Transfer Channel: H-Atom Transfer vs Proton-Coupled Electron Transfer with a Variable Electron-Transfer Channel in Acylamide Units______J Am Chem Soc, 2007, 129 (31),9713-9720. Feng Xiang, Robert I. Cukier, and Yuxiang Bu* Ca2+ Selectivity of the Sarcoplasmic Reticulum Ca2+-ATPase at the Enzyme-Water Interface and in the Ca2+ Entrance Channel______ ... 近年来共发表IF>3.0的论文 50 余篇,以下为近期代表性论文。 Xiaohua Chen, Liang Zhang, Zhiping Wang, Yuxiang Bu*, et al Relay Stations for Electron Hole Migration in Peptides: Possibility for Formation of Three-Electron Bonds along Peptide Chains______ J Phys Chem B 2008, 112, web-released. Laibin Zhang, Yuxiang Bu* Photophysical Characters of Rationally Designed Hetero-Ring-Expanded Guanine Analogs and Effect of Cytosine Pairing______ J Phys Chem B 2008, 112, 10723-10731. Huifang Li, Robert I. Cukier, and Yuxiang Bu* Remarkable Metal Counterion Effect on the Internucleotide J-Couplings and Chemical Shifts of the N-H...N Hydrogen Bonds in the W-C Base Pairs______ J Phys Chem B 2008, 112, 9174-9181. Zhaoxia Mou, Ping Li *, Yuxiang Bu*, et al Investigations of Coupling Characters in Ionic Liquids Formed between the 1-Ethyl-3-methylimidazolium Cation and the Glycine Anion______ J Phys Chem B 2008, 112(16), 5088-5097 Liang Zhang, Shihai Yan, R. I. Cukier, and Yuxiang Bu* Solvation of Excess Electrons in LiF Ionic Pair Matrix: Evidence for a Solvated Dielectron from Ab Initio Molecular Dynamics Simulations and Calculations______ J Phys Chem B 2008, 112(12), 3767-3772 Xiaohua Chen, Yuxiang Bu* Cation-Modulated Electron-Transfer Channel: H-Atom Transfer vs Proton-Coupled Electron Transfer with a Variable Electron-Transfer Channel in Acylamide Units______J Am Chem Soc, 2007, 129 (31),9713-9720. Feng Xiang, Robert I. Cukier, and Yuxiang Bu* Ca2+ Selectivity of the Sarcoplasmic Reticulum Ca2+-ATPase at the Enzyme-Water Interface and in the Ca2+ Entrance Channel______ J Phys Chem B, 2007, 111, 12282-12293. Jinmei Zhang, Robert I. Cukier, and Yuxiang Bu* Rational Design of Hetero-ring-Expanded Guanine Analogs with Enhanced Properties for Modified DNA Building Blocks______ J Phys Chem B, 2007, 111(28), 8335-8341. Dianxiang Xing, Xiaohua Chen and Yuxiang Bu* Pairing strength and proton characters of the N7,N9-dimethylated GC and AT base pairs: a density functional theory investigation______ New J. Chem., 2007, 31, 1514-1524. Dianxiang Xing, Lixiang Sun, Robert I. Cukier, and Yuxiang Bu* Theoretical Prediction of the p53 Gene Mutagenic Mechanism Induced by trans-4-Hydroxy-2-nonenal______ J Phys Chem B, 2007, 111(19), 5362. Lixiang Sun, Robert I. Cukier, and Yuxiang Bu* Factors Determining the Deriving Force of DNA Formation: Geometrical Differences of Base Pairs, Dehydration of Bases, and the Arginine Assisting______ J Phys Chem B, 2007, 111(7), 1802. Huichun Liu, Liang Zhang, Ping Li, Robert I. Cukier, and Yuxiang Bu* Exploration of the Ca2+ Interaction Modes of the Nifedipine Calcium Channel Antagonist______ ChemPhysChem 2007, 8, 304-314. Shihai Yan, Liang Zhang, Robert I. Cukier, and Yuxiang Bu* Exploration on Regulating Factors for Proton Transfer along Hydrogen-Bonded Water Chains______ ChemPhysChem 2007, 8, 944-954. Huifang Li, Yuxiang Bu*, Shihai Yan, Ping Li, and Robert I. Cukier Proton Character of the Peptide Unit in the Ca2+-Binding Sites of Calcium Pump______J. Phys. Chem. B 2006, 110, 11005-11013 Shihai Yan, Yuxiang Bu*, Robert I. Cukier Electron bridging dihydrogen bond in the imidazole-contained anion derivatives______ J Chem Phys 2006,124, 124314. Shihai Yan, Yuxiang Bu* Coupling Properties of Imidazole Dimer Radical Cation Assisted by Embedded Water Molecule: Toward Understanding of Interaction Character of Hydrogen-Bonded Histidine Residue Side-chains______ J Chem Phys, 2005,122, 184324. Shihai Yan, Yuxiang Bu*, Ping Li Electronic Effect on Protonated Hydrogen-Bonded Imidazole Trimer and Corresponding Derivatives Cationized by Alkali Metals (Li+, Na+, and K+)______ J Chem Phys, 2005, 122, 054311. Lixiang Sun, Yuxiang Bu* Marked Variations of Dissociation Energy and H-Bond Character of the Guanine-Cytosine Base Pair Induced by One-Electron Oxidation and Li+ Cation Coupling______ J Phys Chem B, 2005, 109, 593-600. Feng Xiang, Yuxiang Bu*, Hongqi Ai, Ping Li The Coupling Character of Ca2+ with Glutamic Acid: Implication for the Conformational Behavior and Transformation of Ca2+-ATPase in Transmembrane Ca2+-channel______ J Phys Chem B, 2004, 108, 17628. Ping Li, Yuxiang Bu* Double Proton Transfer and One-electron Oxidation Behaviors in Double H-Bonded Glycinamide-Formamidine Complex and Comparison with Biological Base-Pair______ J Phys Chem B, 2004, 108, 16976. Hongqi Ai, Yuxiang Bu* Reservation energy bonds and structural stability of series of multihydrated (nH2O=1-10) glycine-H+M+ (M = Li, Na, or K) complexes______ J Phys Chem B, 2004, 108(4), 1241-1254. Ping Li, Yuxiang Bu* Investigations of Double Proton Transfer Behavior between Glycinamide and Formamide using Density Functional Theory______ J Phys Chem A,2004,108, 10288. Ping Li, Yuxiang Bu* Multiwater-Assisted Proton Transfer Study on Glycinamide in Solution using Density Functional Theory______ J Phys Chem B, 2004, 108, 18088. Yuxiang Bu, R.I. Cukier Effects of Donors and Acceptors on the Energetics and Mechanism of Proton, Hydrogen, and Hydride Release from Imidazole______ J Phys Chem B, 2004, 108, 10089. Zhiqiang Li, Yuxiang Bu*, Hongqi Ai, Ping Li Water-Assisting Proton Transfer Isomerization of the HNO/HON System in the Singlet State: On the Number of the Effective Water Molecules______ J Phys Chem B, 2004, 108, 11732. Hongqi Ai, Yuxiang Bu* Hydrates of the most stable gas-phase mono- and di-protonated glycine derivatives: Origin of no reservation energy bond in glycine-2H2+______ J Chem Phys, 2004,120(5), 2208-2214. Hongqi Ai, Yuxiang Bu*, Ping Li, Lixiang Sun Marked increments of stability and proton affinity of the protonated, zwitterionic glycine induced by the attachment of two excess electrons______ J Phys Chem A, 2004, 108(18), 4156-4162. Hongqi Ai, Yuxiang Bu*, Ping Li, Zhiqiang Li Fragmentation and deformation mechanism of glycine isomers in gas phase: Investigations of charge effect______ J Chem Phys, 2004, 120, 11600-11614. Ping Li, Yuxiang Bu*, Hongqi Ai Density functional studies on conformational behaviors of glycinamide in solution______ J Phys Chem B, 2004, 108(4), 1405-1413. Ping Li, Yuxiang Bu*, Hongqi Ai Theoretical determinations of ionization potential and electron affinity of glycinamide using density functional theory______ J Phys Chem A, 2004, 108(7), 1200-1207. Shihai Yan, Yuxiang Bu*, Zhaohua Cao, Ping Li Coupling Character between Imidazole and Imidazole Cation: Implication for the Coupling Modes of Biomolecular Residues______ J Phys Chem A, 2004, 108(34), 7038-7049. Shihai Yan, Yuxiang Bu* Alteration of Imidazole Dimer on Oxidation or Water Ligation______ J Phys Chem B, 2004, 108(36), 13874-13881. Hongqi Ai, Yuxiang Bu*; Keli Han Glycine-Zn+/Zn2+ and their hydrates: On the number of water molecules necessary to stabilize the switterionic glycine-Zn+/Zn2+ over the nonzwitterionic ones______ J Chem Phys, 2003,118 (24), 10973-10985. Qiao Sun, Yuxiang Bu*, Mei Qin Theoretical studies for the structural properties and electron transfer reactivity of C4H5N/C4H5N+ coupling system______ J Phys Chem A, 2003,107 (10), 1584-1596. Hongqi Ai, Yuxiang Bu*, Zhida Chen Theoretical investigation of glycine-2Ben+ (n=0,1,2) complexes in gas phase: Origin of negative dissociation energies______ J Chem Phys, 2003,118 (4), 1761-1772. |