• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

通过对电子亲和势和电离势的AM1计算得到的DNA和RNA中嘌呤和嘧啶的实验硬度和电负性。

The experimental hardness and electronegativity of the purines and pyrimidines in DNA and RNA supported by the AM1 calculation of the electron affinities and ionization potentials.

作者信息

Zhang Q, Chen E C

机构信息

School of Natural and Applied Science, University of Houston, Texas 77058, USA.

出版信息

Biochem Biophys Res Commun. 1995 Dec 26;217(3):755-60. doi: 10.1006/bbrc.1995.2837.

DOI:10.1006/bbrc.1995.2837
PMID:8554595
Abstract

The ionization potential and electron affinities of the purines and pyrimidines in DNA and RNA were calculated with the AM1 semiempirical method. The values support the experimental values. The electron affinities are significant, and positive, such that donor-acceptor interactions can, and indeed should play a role in the stacking of bases in nucleic acids. Based on the confirmation of the experimental values by the theoretical calculations, reliable values of the experimental hardness and electronegativity were calculated.

摘要

采用AM1半经验方法计算了DNA和RNA中嘌呤和嘧啶的电离势和电子亲和能。计算值与实验值相符。电子亲和能显著且为正值，这使得供体-受体相互作用能够且确实应该在核酸碱基堆积中发挥作用。基于理论计算对实验值的验证，计算出了实验硬度和电负性的可靠值。

相似文献

1
The experimental hardness and electronegativity of the purines and pyrimidines in DNA and RNA supported by the AM1 calculation of the electron affinities and ionization potentials.通过对电子亲和势和电离势的AM1计算得到的DNA和RNA中嘌呤和嘧啶的实验硬度和电负性。
Biochem Biophys Res Commun. 1995 Dec 26;217(3):755-60. doi: 10.1006/bbrc.1995.2837.
2
The determination of absolute electron affinities of the purines and pyrimidines in DNA and RNA from reversible reduction potentials.通过可逆还原电位测定DNA和RNA中嘌呤和嘧啶的绝对电子亲合势。
Biochem Biophys Res Commun. 1991 Oct 31;180(2):841-5. doi: 10.1016/s0006-291x(05)81141-6.
3
The role of electron donors and acceptors in base stacking in DNA and RNA.电子供体和受体在DNA和RNA碱基堆积中的作用。
Biochem Biophys Res Commun. 1990 Aug 31;171(1):97-101. doi: 10.1016/0006-291x(90)91361-u.
4
Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials.基于超软赝势平面波计算的DNA碱基分子基态和激发态性质
J Comput Chem. 2004 Jan 15;25(1):112-22. doi: 10.1002/jcc.10372.
5
Electron affinities of the DNA and RNA bases.DNA和RNA碱基的电子亲和势。
J Am Chem Soc. 2001 May 2;123(17):4023-8. doi: 10.1021/ja003814o.
6
A TDDFT study of the excited states of DNA bases and their assemblies.DNA碱基及其组装体激发态的含时密度泛函理论研究
J Phys Chem B. 2006 Apr 13;110(14):7129-38. doi: 10.1021/jp056120g.
7
Ab initio study of the ionization of the DNA bases: ionization potentials and excited states of the cations.DNA碱基电离的从头算研究：阳离子的电离势和激发态。
J Phys Chem A. 2006 Jul 27;110(29):9200-11. doi: 10.1021/jp0617625.
8
Inner-shell chemical shift of DNA/RNA bases and inheritance from their parent purine and pyrimidine.DNA/RNA碱基的内壳化学位移及其从母体嘌呤和嘧啶的遗传。
J Synchrotron Radiat. 2008 Nov;15(Pt 6):624-31. doi: 10.1107/S090904950802387X. Epub 2008 Oct 3.
9
The electron affinities of the radicals formed by the loss of an aromatic hydrogen atom from adenine, guanine, cytosine, uracil, and thymine.腺嘌呤、鸟嘌呤、胞嘧啶、尿嘧啶和胸腺嘧啶失去一个芳香氢原子后形成的自由基的电子亲和势。
Biochem Biophys Res Commun. 1998 May 8;246(1):228-30. doi: 10.1006/bbrc.1998.8584.
10
Simple ethers as models of sugar molecules in calculations of vertical excitation energies of DNA and RNA nucleosides.在DNA和RNA核苷垂直激发能计算中作为糖分子模型的简单醚类。
J Phys Chem A. 2005 Oct 27;109(42):9536-41. doi: 10.1021/jp052238l.

引用本文的文献

1
Optimization of GOPS-Based Functionalization Process and Impact of Aptamer Grafting on the Si Nanonet FET Electrical Properties as First Steps towards Thrombin Electrical Detection.基于GOPS的功能化过程优化以及适配体接枝对硅纳米网场效应晶体管电学性质的影响，作为凝血酶电学检测的第一步。
Nanomaterials (Basel). 2020 Sep 15;10(9):1842. doi: 10.3390/nano10091842.
2
DNA Linkers and Diluents for Ultrastable Gold Nanoparticle Bioconjugates in Multiplexed Assay Development.用于多重分析开发中超稳定金纳米粒子生物缀合物的 DNA 接头和稀释剂。
Anal Chem. 2017 Apr 4;89(7):4272-4279. doi: 10.1021/acs.analchem.7b00341. Epub 2017 Mar 24.
3
Solvent effects on ionization potentials of guanine runs and chemically modified guanine in duplex DNA: effect of electrostatic interaction and its reduction due to solvent.
溶剂对双链 DNA 中鸟嘌呤碱基和化学修饰鸟嘌呤碱基的电离势的影响：静电相互作用及其因溶剂而减少的影响。
J Phys Chem B. 2009 Dec 24;113(51):16384-92. doi: 10.1021/jp9054582.
4
Purine analog substitution of the HIV-1 polypurine tract primer defines regions controlling initiation of plus-strand DNA synthesis.HIV-1多聚嘌呤序列引物的嘌呤类似物替代定义了控制正链DNA合成起始的区域。
Nucleic Acids Res. 2007;35(1):256-68. doi: 10.1093/nar/gkl909. Epub 2006 Dec 12.