Barrier-free intermolecular proton transfer in the uracil-glycine complex induced by excess electron attachment

The photoelectron spectra (PES) of anions of uracil-glycine and uracil-phenylalanine complexes reveal broad features with maxima at 1.8 and 2.0 eV. The results of ab initio density functional B3LYP and second order M?ller-Plesset theory calculations indicate that the excess electron occupies a π^* orbital localized on uracil. The excess electron attachment to the complex can induce a barrier-free proton transfer (BFPT) from the carboxylic group of glycine to the O8 atom of uracil. As a result, the four most stable structures of the anion of uracil-glycine complex can be characterized as the neutral radical of hydrogenated uracil solvated by the anion of deprotonated glycine. The similarity between the PES spectra for the uracil complexes with glycine and phenylalanine suggests that the BFPT is also operative in the case of the latter anionic species. The BFPT to the O8 atom of uracil may be related to the damage of nucleic acid bases by low energy electrons because the O8 atom is involved in a hydrogen bond with adenine in the standard Watson-Crick pairing scheme. Received 6 April 2002 Published online 13 September 2002     

Analysis of X（1576） as a Tetraquark State with the QCD Sum Rules

We take the viewpoint that X（1576） is the tetraquark state which consists of a scalar diquark and an antiscalar-diquark in relative P-wave, and calculate its mass in the framework of the QCD sum rule approach. The numerical value of the mass mx= （1.66 =k 0.14） GeV is consistent with the experimental data. There might be some tetraquark components in the vector meson X（1576）.     

两个ιp(Γ,E)型空间的单位球面间满等距映射的表现定理及等距延拓

本文得到两个实的ιp(Γ,E)型空间单位球面之间满等距映射的表现定理(这里,1≤p＜+∞,p≠2,E为内积空间),并导出上述映射可延拓为全空间上的实线性等距算子.     

正态分布下任意秩有限总体中的Minimax预测

对于任意秩有限总体,在二次损失下,有关文献已给出了线性可预测变量在齐次线性预测类中的唯一线性Minimax预测．本文在正态假设下,证明了这个线性Minimax预测也是线性可预测变量在一切预测类中的唯一Minimax预测．     

基于TRNSYS的太阳能集热系统能量转化分析与优化

建立了太阳能集热器非稳态数学模型。以工程实例为研究对象,借助于TRNSYS软件,分析不同集热器类型,集热面积,水箱容积,水箱流量对太阳能集热系统性能的影响。优化集热器和水箱设计参数,采用变流量水箱系统,对提高太阳能集热系统综合性能有指导意义。     

Analytic Solution of Charge Density of Single Wall Carbon Nanotube under Conditions of Field Electron Emission

We derive the analytic solution of induced electrostatic potential along single wall carbon nanotubes. Under the hypothesis of constant density of states in the charge-neutral level, we are able to obtain the linear density of excess charge in an external field parallel to the tube axis.     

Two New Eremophilenolides from Ligularia muliensis

Many Ligularia species have long been used as traditional folk medicine for theirantibiotic, antiphlogistic and antitussive activities1, and were found to be an importantsource of eremophilane. In the course of our search for bioactive sesquiterpenoids, w…     

Einstein relation in chemically doped organic semiconductors

Based on the assumption of Gaussian energy distributions of the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO), analytical expressions of generalized Einstein relation in chemically doped organic semiconductor are developed, by approximation of Coulomb traps with a rectangle potential well. Numerical calculations show that traditional Einstein relations do not hold for chemically doped organic semiconductors. Similar to physical doping, the dependence of diffusion coefficient to mobility D/μ ratio on the carrier concentration has a maximum. An essential difference between chemical doping and physical doping is that, the D/μ ratio in chemically doped organic semiconductors depends not only on carrier concentration and doping concentration, but also on the applied electric field. PACS 71.20.Rv; 72.90.+y; 73.50.-h     

多元线性回归法在互联网网间结算中的应用

本文建立一个理论模型研究互联网互联结算的问题。文章利用多元线性回归法对互联网骨干网运营商(IBPs:Internet Backbone Providers)的网络价值进行评估,利用IBPs各自的网络价值对其交换速率进行加权,从而得出网络价值加权速率,依据这个速率进行结算既可以反映了每个网络对互联的贡献程度,又反映了在互联中对网络资源的被占用程度。     

MORPHOLOGY OF BLACK CARBON AEROSOLS AND UBIQUITY OF 50-NANOMETER BLACK CARBON AEROSOLS IN THE ATMOSPHERE

Different-sized aerosols were collected by an Andersen air sampler to observe the detailed morphology of the black carbon （BC） aerosols which were separated chemically from the other accompanying aerosols, using a Scanning Electron Microscope equipped with an Energy Dispersive X-ray Spectrometer （SEM-EDX）. The results indicate that most BC aerosols are spherical particles of about 50 nm in diameter and with a homogeneous surface. Results also show that these particles aggregate with other aerosols or with themselves to form larger agglomerates in the micrometer range. The shape of these 50-nm BC spherical particles was found to be very similar to that of BC particles released from petroleum-powered vehicular internal combustion engines. These spherical BC particles were shown to be different from the previously reported fullerenes found using Matrix-Assisted Laser Desorption/Ionization Time-Of-Flight Mass Spectrometry （MALDI-TOF-MS）.