共查询到18条相似文献,搜索用时 203 毫秒
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将一维随机二元固体模型应用于DNA分子链,利用传输矩阵方法来研究系统电子态的局域性质并进而讨论系统的导电性质.对一个链长为50000个碱基对的DNA序列,数值分析了局域长度和电导随碱基对的摩尔百分数、本征能量和无序度的变化关系.结果表明,系统的局域长度和电导强烈地依赖于能量,在能带中心部分局域长度大于边沿部分.无序度也在一定程度上影响着局域长度,双方成反向变化的关系.对有限长度的DNA分子链,局域长度体现出明显的对碱基对摩尔百分数的依赖关系,对正常成分比例的随机DNA序列,在所有能量范围内系统的态都是局域的,系统的电导很小,系统呈现绝缘体行为.仅当一种碱基对在序列中所占比例很小时,系统中可以发现与特定分立能量值相对应的“扩展态”存在,处在这些态下的系统有较大的电导,但这些扩展态是不稳定的,在热力学极限之下会消失.
关键词:
DNA分子链
电子局域
局域长度
电导 相似文献
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在紧束缚近似下,利用传输矩阵方法,计算研究了碱基对组分、金属电极位能及DNA分子与电极耦合强度对DNA分子I-V特征的影响.计算结果表明:由单一碱基对构成的DNA分子的饱和电流强度远大于由两种碱基对按一定组分随机分布的DNA分子的饱和电流强度,且当DNA分子中两种碱基对的含量相等时,其饱和电流强度最小.同时,富含C-G碱基对的DNA分子比富含A-T碱基对的DNA分子的电子输运能力大.金属电极位能对DNA分子电子输运的影响体现在两方面,当偏压较小时,电极位能具有阻碍电荷注入的效果,当偏压较大时 相似文献
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在密度泛函理论水平上研究了从DNA碱基单体到Watson-Crick碱基对的结构、电荷分布、以及非谐性振动参数的变化. 通过研究参与碱基对中多重氢键的NH2、N-H和C=O的伸缩振动模式,预测了这些模式的对角非谐性常数、非对角非谐性常数、以及非谐性振动耦合对碱基结构变化的敏感性. 研究结果揭示了DNA碱基中非谐性振动势、分子间氢键和静电相互作用之间的内在联系. 相似文献
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单一原子(分子)的自发辐射衰变的动力学性质强烈地依赖于其在光子晶体中的位置及其辐射偶极矩与所处位置场的相对方向.测量单一原子(分子)的自发辐射衰变特性只能反映光子晶体的局域态密度特征,而不能反映光子晶体的全态密度特征.理论上研究发现,通过引入含不同密度分布的发光分子可以探测到光子晶体的全态密度的部分细节甚至全部信息.按来源首次将全态密度分为两个部分,证明了特定的发光分子分布可以完善地反映其中的一部分或者全部,这为解释、设计加速或抑制原子(分子)自发辐射的实验提供了有益的指导.
关键词:
光子晶体
自发辐射
态密度
密度分布 相似文献
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利用分子梳技术对λ DNA和组蛋白的相互作用进行了研究. 通过这种简单有效的方法,我们将λ DNA分子拉伸到26—28 μm,相当于其原长(约162 μm)的16—17倍. 当组蛋白与DNA结合后,DNA分子发生凝聚现象,复合体的拉伸长度明显变短,其峰值分布在10—14 μm之间. DNA 组蛋白复合体的拉伸长度与组蛋白的浓度、与碱基对和荧光染料的比例有显著的关系.
关键词:
分子梳
组蛋白
DNA
荧光显微 相似文献
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利用第一性原理电子结构计算方法,研究了扶手椅型单壁碳纳米管(SWCNT)的B/N对掺杂效应.研究发现,对于扶手椅型SWCNT两个不同的掺杂位点,B/N对更容易发生在与管轴线成30°角的P1位点上.B/N对的掺杂使得金属性SWCNT能隙打开,且能隙随着B/N对轴向掺杂浓度的升高而逐渐增大.同时,还发现两B/N对掺杂后SWCNT的电子结构敏感地依赖于B/N对在圆周上的相对位置,能隙随着B/N对相对距离的增大而增大.这归结于B/N对的掺入影响了原有的电荷分布,这种影响是局域的
关键词:
单壁碳纳米管
B/N对掺杂
电子结构
第一性原理 相似文献
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Ying Ying Wang Jie Jiang Chuan Wei Gao Hai Yan Nan Zhen Hua Ni Dong Wang Bo Zhong Guang Wu Wen 《Journal of Raman spectroscopy : JRS》2016,47(6):668-673
We present a systematic Raman study of twisted tetralayer graphene (t(2 + 2)LG), under excitation of two laser lines. In t(2 + 2)LG samples, top Bernal stacked bilayer graphene (2LG stands for Bernal‐stacked bilayer graphene) twists different angle relative to bottom 2LG. It is found that 2D and 2D′ peaks of t(2 + 2)LG show positive wavenumber shift relative to those of 2LG. We propose a simplified electronic band structure for t(2 + 2)LG; interlayer interaction‐induced changing in electronic band structure can be used to understand the aforementioned spectral features. The electronic structures of t(2 + 2)LG samples are then probed from resonant Raman studies of 2D and 2D′ peaks using two laser lines; electronic dispersions in t(2 + 2)LG samples are given. Our study facilitates understanding of twist angle‐dependent electronic properties of tetralayer graphene superlattice. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
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EMILIO ARTACHO MAIDER MACHADO DANIEL SÁNCHEZ-PORTAL PABLO ORDEJÓN JOSÉ M. SOLER 《Molecular physics》2013,111(11):1587-1594
The electronic structure of an infinite polyguanine-polycytosine DNA molecule in its dry A-helix structure is studied by means of density functional calculations. An extensive study of 30 nucleic base pairs is performed to validate the method. The electronic energy bands of DNA close to the Fermi level are then analysed in order to clarify the electron transport properties in this particularly simple DNA realization, probably the best suited candidate for conduction. The energy scale found for the relevant band widths, as compared with the energy fluctuations of vibrational or genetic-sequence origin, makes highly implausible the coherent transport of electrons in this system. The possibility of diffusive transport with subnanometre mean free paths is, however, still open. Information for model Hamiltonians for conduction is provided. 相似文献
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The electronic structure at a bimetallic interface is obtained using the density functional formalism and a gradient expansion. The charge distribution near the surface is obtained variationally using a simple parameterised form. Application is made to calculate the adhesive energies due to microscopic contacts of pairs of alkali metals. 相似文献
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溴化乙锭探针研究劳氏青莲与脱氧核糖核酸的相互作用 总被引:1,自引:0,他引:1
用光谱探针溴化乙锭对劳氏青莲与脱氧核糖核酸的作用机制进行了研究。通过对体系的荧光光谱、吸收光谱及共振光散射光谱等方面的研究,结果表明,在pH为7.4的Tris-HCl缓冲溶液中,劳氏青莲与脱氧核糖核酸之间存在着嵌插作用,其结合常数为1.0×105 L·mol-1。 相似文献
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The absorption spectra of SO2 in solid neon and argon have been observed in the spectral regions near 2200 Å and 2900 Å. The spectral shifts of the electronic transitions in the matrix relative to the vapor are reported, including a shift with aging of the matrix. Implications for the interpretation of the vibrational structure of the 2348 Å system are discussed. A large spectral shift is attributed to a shift of the vibrational frequency 2ν3′ of the excited electronic state. 相似文献
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We have calculated the frequencies of the normal vibrations of the complementary nucleic acid base pairs adenine–thymine,
guanine–cytosine, adenine–uracil, corresponding to the Watson–Crick structure, and the adenine–uracil pair, corresponding
to the Hoogsteen structure, in condensed states and we interpret the spectra. We determine the contributions of hydrogen bonds
to the vibrational modes of the complementary pairs. We have analyzed the nature of the relative displacements of the nucleic
acid bases as integral molecular units along the hydrogen bonds. We show the role of hydrogen bonds in tautomeric interconversions
of complementary nucleic acid base pairs.
Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 76, No. 1, pp. 84–92, January–February, 2009. 相似文献