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991.
The superheavy nucleus 270 Hs iS expected to be a "double-magic" deformed nucleus.We have calculated its cross sections of evaporation residue for the reactions 248Cm(26Mg,4n)270Hs,244pu(30Si,4n)270Hs,238U(36S,4n)270Hs and 226Ra(48Ca,4n)270Hs using a two-parameter Smoluchowski equation.It is found from our results that 226Ra(48Ca,4n)270Hs and 238U(36S,4n)270Hs are two optimal reactions for the synthesis of the superheavy nucleus 270Hs due to their large negative Q-values. 相似文献
992.
Theoretical investigations have been carried out at B3LYP/6-311++G** level of theory to study the binding interaction of various
metal ions, Li+, Na+ and K+ with dehydroannulene systems. The present study reveals that alkali metal ions bind strongly to dehydroannulenes and the
passage through the central cavity is controlled by the size of metal ion and dimension of dehydroannulene cavity. 相似文献
993.
994.
Dragan Toprek Zoran Ivić Darko Kapor Sreten Lekić 《International journal of quantum chemistry》2013,113(10):1522-1533
Properties of the large acoustic polarons in discrete molecular chains have been investigated within the adiabatic approximation. It turns out that practically all the polaron features are determined by the single parameter‐coupling constant which represents the ratio between the small polaron binding energy and the electron bandwidth. Three different types of stationary solutions were found corresponding to weak, intermediate, and strong coupling limits, respectively. In the weak coupling regime, that is, for the values of coupling constant exceeding the limit of the applicability of continuum approximation but lower than the critical one ( $g_C$ ), we observe symmetric bond‐centered solution corresponding to the polaron positioned in the middle between the adjacent lattice sites. When coupling constant overgrows, this critical value transition toward the site‐centered state occurs. It takes place continuously through the intermediate asymmetric state whose position gradually approaches lattice site as coupling constant increases. One of the main consequences of the lattice discreteness is the emergence of the periodic potential, Peierls‐Nabarro potential relief, through which polarons have to pass to transfer along the chain. The conditions for the polaron propagation are formulated in terms of the threshold velocity. © 2012 Wiley Periodicals, Inc. 相似文献
995.
Fan Xiao Lin Lin Zhicong Chao Dr. Chen Shao Zhe Chen Zixiang Wei Dr. Jingxiong Lu Dr. Yishun Huang Dr. Lanqing Li Prof. Quan Liu Prof. Yongye Liang Prof. Leilei Tian 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(24):9789-9797
DNA nanotechnology plays an increasingly important role in the biomedical field; however, its application in the design of organic nanomaterials is underexplored. Herein, we report the use of DNA nanotechnology to transport a NIR-II-emitting nanofluorophore across the blood–brain barrier (BBB), facilitating non-invasive imaging of brain tumors. Specifically, the DNA block copolymer, PS-b-DNA, is synthesized through a solid-phase click reaction. We demonstrate that its self-assembled structure shows exceptional cluster effects, among which BBB-crossing is the most notable. Therefore, PS-b-DNA is utilized as an amphiphilic matrix to fabricate a NIR-II nanofluorephore, which is applied in in vivo bioimaging. Accordingly, the NIR-II fluorescence signal of the DNA-based nanofluorophore localized at a glioblastoma is 3.8-fold higher than the NIR-II fluorescence signal of the PEG-based counterpart. The notably increased imaging resolution will significantly benefit the further diagnosis and therapy of brain tumors. 相似文献
996.
Ling-Fa Montiel-Juárez Alma Leticia Martínez Ayala María Antonieta Ríos-Corripio Israel Arzate-Vázquez Placido Zaca-Moran 《Analytical letters》2019,52(3):423-438
The water vapor permeability (WVP) and hardness of biodegradable nanocomposite films based on glutelin from Jatropha curcas L. were determined and the results were analyzed by response surface methodology (RSM). The effects of independent variables constituted by the plasticizer (glycerol), nanofiller (cloisite), and pH on the physical parameters were evaluated. The regression models obtained for each physical property adequately described the measurements used in the experimental design, with regression coefficients of 0.9513 and 0.9421 for WVP and hardness. The regression coefficients show that pH has the most significant effect on the WVP, whereas the cloisite content has the largest influence on the hardness of the nanocomposite film. Fourier transform infrared spectroscopy provided confirmation of the results obtained by RSM. Corroboration that the gluteline structure is in a similar form as the WVP and primarily influenced by pH was obtained using conventional and second derivative infrared spectra. However, the hardness of the film primarily depends on the cloisite content. This methodology may be useful for the design and elaboration of nanocomposite films based on J. curcas L. with specific barrier and mechanical properties. 相似文献
997.
采用本征值展开的方法发展了一种准线性理论,对规则表面波与海面下伸式狭缝挡板的相互作用进行了理论分析和实验研究.狭缝挡板引起的能量耗散首先采用了二次摩擦因子来模化,然后引入了一个随深度变化且依赖于波高的等效线性耗散系数对狭缝挡板处的匹配条件进行线性化处理.理论和实验的比较表明:应用提出的方法对反射和透射系数随波高变化的预测结果是令人满意的. 相似文献
998.
The structural parameters and energies of the trans-equatorial and gauche-equatorial conformers of cyclobutanecarboxaldehyde c-C4H7–CHO were investigated by quantum mechanical DFT-B3LYP (Density Functional Theory-Becke 3 exchange and Lee-Yang–Parr correlation functional) calculations using 6-311G** basis set. The potential functions for the CHO asymmetric torsion in the equatorial molecule and for the ring puckering inversion were derived. The vibrational wavenumbers were calculated and the potential energy distributions PED among the symmetry coordinates of the normal modes were computed for the two stable conformers of the molecule. The vibrational assignments on the basis of the calculated PED values were compared to the reported ones from experimental data. The vibrational infrared and Raman spectra of the mixture of the trans-equatorial and gauche-equatorial were plotted and the line intensities were compared to the corresponding experimental ones. 相似文献
999.
采用μs振荡脉冲电源激励同轴电极结构产生空气中介质阻挡放电(DBD),通过电压-电流波形的测量及发光图像拍摄研究了放电特性,计算得到了放电功率及传输电荷量等重要放电参量,研究了电压幅值、气隙距离对放电特性及放电参量的影响,在分析放电机理的基础上对实验结果进行了解释。结果表明:μs振荡脉冲电源激励下,DBD平均放电功率可达上百W,传输电荷量可达几千nC;增大电压幅值和减小放电气隙距离能获得更剧烈的放电,平均放电功率和传输电荷量均增加。 相似文献
1000.