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基于碱基分子质量和π电子共振能的几种新距离在系统发育重建中的应用 被引量:3
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作者 袁哲明 欧阳芳 +2 位作者 吉洪湖 张平 文迪彪 《生命科学研究》 CAS CSCD 2005年第1期77-83,共7页
为探讨基于碱基分子质量和π电子共振能的几种新距离在系统发育重建中的应用,以Kimura2-parameter距离为对照,以鸻行目16种鸟类线粒体ND6基因和Cytb基因序列为例分别进行距离矩阵邻接法建树,并结合形态学分类和核型研究结果进行比较分析... 为探讨基于碱基分子质量和π电子共振能的几种新距离在系统发育重建中的应用,以Kimura2-parameter距离为对照,以鸻行目16种鸟类线粒体ND6基因和Cytb基因序列为例分别进行距离矩阵邻接法建树,并结合形态学分类和核型研究结果进行比较分析.结果表明:1)E距离和I距离基因树最大程度地吻合了形态学分类结果,将灰斑鸻和鸻属的两个种聚为同一单系,将滨鹬属两个种聚为同一单系;其反对将反嘴鹬和砺鹬单独成科的观点得到核型研究结果的强烈支持;E距离和I距离的ND6树和Cytb树相互支撑性较好;E距离和I距离是系统发育重建中2种颇具潜力的新距离;2)基于E距离和I距离的ND6树和Cytb树,结合形态学分类和核型研究结果,给出了鸻行目16种鸟类的分类归属. 展开更多
关键词 碱基分子质量 π电子共振能 E距离 I距离 系统进化 鸻行目
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碱基分子的原子电距矢量表达及核磁共振碳谱模拟 被引量:1
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作者 李志良 周丽平 +5 位作者 夏之宁 刘堰 张梦军 彭海蛟 刘树深 余般梅 《波谱学杂志》 CAS CSCD 北大核心 2000年第4期309-315,共7页
提出以原子电性距离矢量 (VAED)描述各种碱基分子中不同等价碳原子的化学环境 ,结合γ效应校正与碳原子类型 ,建立核磁共振碳谱 ( 1 3CNMR)化学位移 (CS)的五参数线性模型 .用于碱基分子中 4类不同碳 (其中主要是仲叔季碳 )的等价碳原... 提出以原子电性距离矢量 (VAED)描述各种碱基分子中不同等价碳原子的化学环境 ,结合γ效应校正与碳原子类型 ,建立核磁共振碳谱 ( 1 3CNMR)化学位移 (CS)的五参数线性模型 .用于碱基分子中 4类不同碳 (其中主要是仲叔季碳 )的等价碳原子化学位移的估计 ,复相关系数R和均方根误差RMS[ppm]分别为仲叔季碳 :1 )对C2n =1 2 ,R =0 .9998,R2 =0 .9997,F =2 732 .2 4 98,EV =0 .9994,RMS =0 .1 80 4 ,SD =0 .1 8842 )对C3n =41 ,R =0 .9334,R2 =0 .871 2 ,F =38.32 99,EV =0 .852 8,RMS =9.52 68,SD =9.64523)对C4n =2 3,R =0 .91 83,R2 =0 .8433,F =1 4.3479,EV =0 .7972 ,RMS =6.530 4 ,SD =6.67721 )对C2n =1 2 ,R =0 .9998,R2 =0 .9997,F =2 592 .70 72 ,EV =0 .9994,RMS =0 .1 852 ,SD =0 .1 9342 )对C3n =41 ,R =0 .92 70 ,R2 =0 .8594,F =34.62 83,EV =0 .8393,RMS =9.548,SD =1 0 .0 7843)对C4n =2 3,R =0 .90 71 ,R2 =0 .82 2 9,F =1 2 .3881 ,EV =0 .770 8,RMS =6.942 5,SD =7.0 985经交互校验 ,模拟稳定性较好 .并综合几种处理方法 ,找到一种较好的建模方法 ,将它用于 4个外部样本化学位移的定量预测 。 展开更多
关键词 原子电性距离矢量 ^13CNMR波谱模拟 碱基分子
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Nanopore DNA sequencing:Are we there yet? 被引量:2
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作者 梁峰 Peiming Zhang 《Science Bulletin》 SCIE EI CAS CSCD 2015年第3期296-303,I0001,共9页
Nanopores have been studied as a unique DNA sequencing technology that can quickly read long stretched DNA sequences. A DNA molecule could pass through a nanopore in a speed of microsecond per base and even faster. Wi... Nanopores have been studied as a unique DNA sequencing technology that can quickly read long stretched DNA sequences. A DNA molecule could pass through a nanopore in a speed of microsecond per base and even faster. With this speed, a human genome can potentially be sequenced by one nanopore in 〈1 h. In contrast to next- generation DNA sequencing (NGS), the nanopore sequencing is enzyme free without need of sample amplification due to its single-molecule nature. The nanopore sequencing has been envisioned as a new generation of DNA sequencing technology in the post-NGS era. This progress focuses on status quo of the nanopore DNA sequencing and discusses the opportunities and challenges in this rapidly growing field. 展开更多
关键词 Biological Nanopore DNA sequencing nanopores Solid-state nanopores
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Exploration on the site-preference of the hydrogen bonding interactions between uracils and/or thymines 被引量:1
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作者 LI Yang WANG ChangSheng 《Science China Chemistry》 SCIE EI CAS 2011年第11期1759-1769,共11页
Understanding the mechanisms underlying the assembly of nucleobases is a great challenge. The ability to deeply understand how nucleobases interact with themselves as well as with other molecules will allow us to gain... Understanding the mechanisms underlying the assembly of nucleobases is a great challenge. The ability to deeply understand how nucleobases interact with themselves as well as with other molecules will allow us to gain valuable insights into how we might be able to harness these interesting biological molecules to construct complex nanostructures and materials. Uracil and thymine derivatives have been reported for use in biological applications and in self-assembling triple hydrogen bonded systems. Either uracil or thymine possesses three binding sites (Site 1, Site 2, and Site 3) that can induce strong directional N-H...O=C hydrogen bonding interaction. In this paper, theoretical calculations are carded out on the structural features and binding energies of hydrogen-bonded dimers and trimers formed by uracil and thymine bases. We find that the hydrogen bonds formed through Site 1 are the strongest, those formed through Site 3 are next, while those formed through Site 2 are the weakest. The atoms in molecules analysis show that the electron densities at the bond critical points and the corresponding Laplacians have greater values for those hydrogen bonds formed through Site 1 than through Site 2. All these results indicate that a uracil (or thymine) would interact with another uracil or thymine most likely through Site 1 and least likely through Site 2. We also find that a simple summation rule roughly exists for the binding energies in these dimers and trimers. 展开更多
关键词 URACILS thymines binding energies hydrogen-bonded dimers hydrogen-bonded trimers hydrogen-bonded tetramers
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A new approach to the bicyclo[3.3.1]nonane framework of huperzine A-like molecules via palladium-catalyzed intramolecular γ-arylation 被引量:2
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作者 DING Rui LU YunYu +2 位作者 YAO HeQuan SUN BingFeng LIN GuoQiang 《Science China Chemistry》 SCIE EI CAS 2012年第6期1097-1100,共4页
In our synthetic studies toward huperzine A, a diastereoselective α'-alkylation of the α-amido-γ-methyl hexenone 4 was real- ized through a dianion intermediate which significantly enhanced the reactivity. Under t... In our synthetic studies toward huperzine A, a diastereoselective α'-alkylation of the α-amido-γ-methyl hexenone 4 was real- ized through a dianion intermediate which significantly enhanced the reactivity. Under the attempted Heck reaction conditions, an unexpected and unprecedented palladium-catalyzed intramolecular T-arylation of 3 was observed, which generated 18 with bicyclo[3.3, l]nonane framework in satisfactory yield. 展开更多
关键词 huperzine A bicyclo[3.3.1]nonane γ-arylation
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Virus-like supramolecular assemblies formed by cooperation of base pairing interaction and peptidic association
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作者 Meiwen Cao Ningning Wang +4 位作者 Peng Zhou Yawei Sun Jiqian Wang Shengjie Wang Hai Xu 《Science China Chemistry》 SCIE EI CAS CSCD 2016年第3期310-315,共6页
A peptide nucleic acid (PNA)-peptide conjugated molecule, T'3(AKAE)2, was designed to have both a PNA segment for oligo- nucleotide binding and an ionic self-complementary peptide sequence for self-association. T... A peptide nucleic acid (PNA)-peptide conjugated molecule, T'3(AKAE)2, was designed to have both a PNA segment for oligo- nucleotide binding and an ionic self-complementary peptide sequence for self-association. T'3(AKAE)2 could co-assemble with oligoadenines (d(A)x) to form virus-like supramolecular structures whose morphology showed dependence on the chain length and rigidity of the d(A)x molecules. Smaller nanospheres with diameters of 13.0±2.0 nm were produced in the case of d(A)6. Wormlike aggregates with lengths of 20-50 nm and diameters of 15.0±2.5 nm were found in the cases of d(A)12, d(A)ls, d(A)24 and d(A)30. And larger spherical aggregates with diameters of 18±5 nm came into presence in the cases of d(A)36 and d(A)42+. These nanostructures were suggested to be formed under a cooperative effect of base pair recognition and peptidic association. The study provides insights into the programmed assembly of a multi-components system as well as control of the size and shade of the co-assembled structures, which is of great significance in develouing gene/drug deliverv systems. 展开更多
关键词 peptide nucleic acid OLIGONUCLEOTIDE artificial virus co-assembly supramolecular complex
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