【20973101】核酸碱基结构修饰的分子设计及其新型DNA结构性质理论表征国家自然基金项目

核酸碱基结构修饰的分子设计及其新型DNA结构性质理论表征

项目批准号： 20973101

批准年份： 2009

学科分类： B0301.化学理论与方法

项目负责人：步宇翔

资助类别：面上项目

负责人职称：教授

依托单位：山东大学

资助金额： 31万元

关键词：离子渗透;DNA动力学稳定性;荧光光谱;电荷迁移;碱基修饰

起止时间： 2010-01-01到2012-12-31

中英文摘要
结题摘要
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序号	标题	类型	作者
1	Computational Design of the Ring-Expanded Pyrimidine-Based DNA Motifs with Improved Conductivity	期刊论文	Li Han\|Yuxiang Bu\|
2	Arylation Of Styrene Derivatives Using Aryliron Complexes [CpFe(CO)2Ar] Revealed By Density Functional Theory Calculations: Fe(Ⅱ)-Assisted Group Exchange Through Fe-C Bond Cleavage And Fe-X Bond Formation	期刊论文	Zhenwei Zhang\|Yuxiang Bu\|
3	Exploration of the Biological Micro-Surrounding Effect on the Excited States of the Size-Expanded Fluorescent Base x-Cytosine in DNA	期刊论文	Laibin Zhang\|Xiaohua Chen\|Haiying Liu\|Li Han\|R. I. Cukier\|Yuxiang Bu\|
4	DFT Studies On The Mechanism Of The Conversion Of Thiols Into Disulfides And Dihydrogen Catalyzed By Cpmn(CO)3 Complex	期刊论文	Zhenwei Zhang\|Wenchao Li\|Jinxiang Liu\|Xiaohua Chen\|Yuxiang Bu\|
5	Multi-Zinc-Expanded Oligoacenes: An Intriguing Class of Well-Defined Open-Shell Singlet Diradicals	期刊论文	Hongfang Yang\|Qisheng Song\|Wenchao Li\|Xinyu Song\|Yuxiang Bu\|
6	On the Binding Strength Sequence for Nucleic Acid Bases and C60 with Density Functional and Dispersion-corrected Density Functional Theories: Whether C60 Could Protect Nucleic Acid Bases from Radiation-Induced Damage?	期刊论文	Wenming Sun\|Yuxiang Bu\|Yixuan Wang\|
7	Theoretical studies on the electron capture properties of H2SO4⋅⋅⋅HOO• complex and implications for the alternative source of the formation of HOOH	期刊论文	Ping Li\|Zhiying Ma\|Weihua Wang\|Rui Song\|Yazhou Zhai\|Siwei Bi\|Haitao Sun\|Yuxiang Bu\|
8	Internucleotide J-Couplings and Chemical Shifts of the N-H...N Hydrogen-Bonds in the Radiation-Damaged Guanine-Cytosine Base Pairs	期刊论文	Huifang Li\|Laibin Zhang\|Li Han\|Wenming Sun\|Yuxiang Bu\|
9	Magnetism-Tunable Oligoacene Dioxide Diradicals: An Intriguing Class of Promising Magnetic Oligoacene-like Molecules	期刊论文	Hongfang Yang\|Li Han\|Jing Zhao\|Xinyu Song\|Qisheng Song\|Yuxiang Bu\|
10	Rational Design for Building Blocks of DNA-Based Conductive Nanowires through Multi-Copper Incorporation into Mismatched Base Pairs	期刊论文	Jing Zhao\|Li Han\|Hongfang Yang\|Jinxiang Liu\|Yuxiang Bu\|
11	Negative Dissociation Energy Phenomenon of Metastable H-Bonds As Revealed in Triplex DNA Hole Migration	期刊论文	Jun Wang\|Lixiang Sun\|Yuxiang Bu\|
12	A Peptide Loop and An alpha-Helix N-terminal Serving as Alternative Electron Hopping Relays in Proteins	期刊论文	Boran Han\|Xiaohua Chen\|Jing Zhao\|Yuxiang Bu\|
13	Multi-Zinc-Expanded Graphene Patches: Tetraradical Versus Diradical Character	期刊论文	Hongfang Yang\|Qisheng Song\|Xinyu Song\|Yuxiang Bu\|
14	生物理论化学中的挑战性科学问题及机遇----生物体内质能输运及信息传递机制开发与模拟______《物理化学学科前沿与展望》，中国化学科学丛书，国家自然科学基金委员会化学科学部组编，杨俊林、高飞雪、田中群主编，科学出版社，北京，2011（邀稿）	期刊论文	步宇翔\|
15	Electronic Promotion Effect of Double Proton Transfer on Conduction of DNA through Improvement of Transverse Electronic Communication of Base Pairs	期刊论文	Haiying Liu\|Genqin Li\|Laibin Zhang\|Jilai Li\|Meishan Wang\|Yuxiang Bu\|
16	Unexpected dissociation energetics of the Na+ counterion from GC motifs in DNA hole-migration	期刊论文	Jun Wang\|Huifang Li\|Liang Zhang\|Yuxiang Bu\|
17	Radicalized DNA Bases through Ring-Expansion Modification: An Intriguing Class of Building Blocks for the Magnetic DNA Nanowires	期刊论文	Li Han\|Hongfang Yang\|Jing Zhao\|Yuxiang Bu\|
18	蛋白质电子跳跃转移与溶剂化电子结构	期刊论文	步宇翔\|
19	Coexistence of Solvated Electron and Benzene-Centered Valence Anion in the Negatively Charged Benzene-Water Clusters	期刊论文	Meng Zhang\|Jing Zhao\|Jinxiang Liu\|Lianwen Zhou\|Yuxiang Bu\|
20	离子液中溶剂化电子的结构及其演化动力学	期刊论文	步宇翔\|
21	Multi-Copper-Mediated DNA Base Pairs Acting as Suitable Building Blocks for the DNA-Based Nanowires	期刊论文	Genqin Li\|Haiying Liu\|Xiaohua Chen\|Laibin Zhang\|Yuxiang Bu\|
22	Trapping of excess electrons at the microhydrated protonated amino groups in proteins	期刊论文	Wenchao Li\|Zhenwei Zhang\|Hongfang Yang\|Xiuxiu Wu\|Jinxiang Liu\|Yuxiang Bu\|
23	Electronic Enhancement Effect of Copper Modification of Base Pairs on the Conductivity of DNA	期刊论文	Haiying Liu\|Genqin Li\|Hongqi Ai\|Jilai Li\|Yuxiang Bu\|
24	Interaction and Protection Mechanism between Li@C60 and Nucleic Acid Bases (NABs): Performance of PM6-DH2 on Noncovalent Interaction of NABs-Li@C60	期刊论文	Wenming Sun\|Yuxiang Bu\|Yixuan Wang\|
25	Theoretical studies on the coupling interactions in H2SO4...HOO....(H2O)n (n = 0–2) clusters: toward understanding the role of water molecules in the uptake of HOO. radical by sulfuric acid aerosols	期刊论文	Ping Li\|Zhiying Ma\|Weihua Wang\|Yazhou Zhai\|Haitao Sun\|Siwei Bi\|Yuxiang Bu\|
26	A Peptide Loop and An alpha-Helix N-terminal Serving as Alternative Electron Hopping Relays in Proteins	期刊论文	Boran Han\|Xiaohua Chen\|Jing Zhao\|Yuxiang Bu\|

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