球坐标系下多介质混合物模型的数值模拟

利用多介质混合模型在求解球坐标系下的Riemann问题时,需要考虑界面处压力平衡性弱、奇点处理、状态方程复杂等多个难点。本文将原始基于体积分数的Mie-Grüneisen多介质混合模型扩展到球坐标系下,并对多个细节进行了修正和改进,包括:在界面处对热力学参数进行修正、采用质量分数导出新输送方程、利用质量分数加权计算偏导数、采用相邻网格点的物理量定义奇点等。经过改进后的计算模型,可以得到无振荡的数值解,而且可以准确捕捉到冲击波和界面的位置。另外,使用改进后的质量分数模型比原始的体积分数模型得到的计算结果更准确。     

压缩变形对C20富勒烯分子电子传输特性的影响

The geometry,electronic structure and electronic transmission of Au electrode-compressed C20 fullerene Au electrode systems are investigated systemically,and some interesting results are obtained by use of molecular dynamics,Extend Hückel method of the first principle,and Green's function based method. The analytical results show that,due to intervention of Au electrodes,the electronic structure of compressed C20 fullerene is changed significantly,the coalescent between C20 fullerene and Au electrodes is intervenient of covalent bond and electrovalent bond,and the compressed C20 fullerenes are better conductors of electricity than those uncompressed or slightly compressed ones. The methods and the relative conclusions are beneficial to go further deep into electronic transmission of carbon fullerenes.     

氢气比例和点火能量对CH4-H2混合气体爆炸强度影响的实验研究

在20 L标准球形爆炸罐内开展了当量比为1的甲烷-氢气-空气混合气体爆炸实验,通过改变点火能量和氢气体积分数,探讨点火能量和气体比例对其爆炸压力和爆炸强度的影响。研究发现:氢气比例越高,爆炸冲击波传播速度越快,点火能对冲击波传播速度的影响相对较小;点火能量的提高对峰值超压有增强作用,氢气比例低时,此增强作用较显著,氢气比例高时,此增强作用较弱;点火能量对爆炸强度指数KG的影响较小,而氢气比例对爆炸强度指数KG的影响十分明显,氢气比例低于50%时,氢气比例的增加对爆炸强度的增强作用较弱,氢气比例高于50%时,氢气的增加对爆炸强度的激励作用急剧增强。另外发现,相同当量比条件下,氢气的爆炸强度指数近似为甲烷爆炸强度指数的10倍。     

贵金属金的状态方程

 提出了一个热压强的计算公式,从而获得金的状态方程。并结合实验数据与文献中常用的其它两个状态方程进行了比较。结果发现,修正后的状态方程与实验数据吻合很好,略优于其它两个状态方程。     

Grünwald插值算子的L2收敛性

证明了以Legendre多项式的极值点为插值结点组的Grünwald插值多项式在L2范数下是收敛的.     

Solvent Effect of DMSO-d6 on 1,2-Diols in 1H NMR

There is a classic experiential rule about 1,2-diol RCR^1 （OH） CR^1 （OH） R（ R^1 = H or methyl）, that is, the proton chemical shift of the α-R^1 group at the hydroxvl group in the all-isomer, in general, aPPears in a higher field with ca.     

Ageritin—The Ribotoxin-like Protein from Poplar Mushroom (Cyclocybe aegerita) Sensitizes Primary Glioblastoma Cells to Conventional Temozolomide Chemotherapy

Here, we propose Ageritin, the prototype of the ribotoxin-like protein family, as an adjuvant treatment to control the growth of NULU and ZAR, two primary human glioblastoma cell lines, which exhibit a pharmacoresistance phenotype. Ageritin is able to inhibit NULU and ZAR growth with an IC50 of 0.53 ± 0.29 µM and 0.42 ± 0.49 µM, respectively. In this study, Ageritin treatment highlighted a macroscopic genotoxic response through the formation of micronuclei, which represents the morphological manifestation of genomic chaos induced by this toxin. DNA damage was not associated with either the deregulation of DNA repair enzymes (i.e., ATM and DNA-PK), as demonstrated by quantitative PCR, or reactive oxygen species. Indeed, the pretreatment of the most responsive cell line ZAR with the ROS scavenger N-acetylcysteine (NAC) did not follow the reverse cytotoxic effect of Ageritin, suggesting that this protein is not involved in cellular oxidative stress. Vice versa, Ageritin pretreatment strongly enhanced the sensitivity to temozolomide (TMZ) and inhibited MGMT protein expression, restoring the sensitivity to temozolomide. Overall, Ageritin could be considered as a possible innovative glioblastoma treatment, directly damaging DNA and downregulating the MGMT DNA repair protein. Finally, we verified the proteolysis susceptibility of Ageritin using an in vitro digestion system, and considered the future perspective use of this toxin as a bioconjugate in biomedicine.     

Peracid oxidation of benzothiopyranthiones and benzopyranthiones

Benzothiopyran-2 and 4-thiones and benzopyran-2-thiones undergo oxidation to sulphines which on further oxidation give the carbonyl derivatives or polymeric products.

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Persäure-Oxidation von Benzothiopyranthionen und Benzopyranthionen (Kurze Mitteilung)

Zusammenfassung Benzothiopyran-2 und 4-thione und Benzopyran-2-thione werden mit Persäuren zu Sulfinen oxidiert, die ihrerseits bei weiterer Oxidation die Carbonylderivate oder polymere Produkte ergeben.

     

新的手性源——5-(1-(艹孟)氧基)-2(5-H)-呋喃酮的合成及其不对称 Michael 反应的研究

近年来,手性的丁烯内酯类化合物在合成杂环和天然产物方面起了很重要的作用,我们利用新的手性源,5-(1-氧(艹孟)基)-2(5-H)-     

Preparation of glass capillary columns coated with immobilized OV-240-OH (33% cyanopropyl substituted,OH-terminated). An approach to improve the inertness and thermal stability of cyanoalkyl polysiloxane coatings

Coating intensely leached glass capillaries with OV-240-OH, the most polar commercially available OH-terminated polysiloxane phase at the present time, is described. Beside chemical bonding of the phase via condensation with silanol groups of the support, additional immobilization using dimethyltetramethoxysiloxane as a crosslinker is carried out. After in situ methylation of the immobilized coating, and transformation of acidic impurities of the cyanopropyl substituted phase into the respective methyl esters, increased inertness of the column was observed. Working instructions are given, and processes involved are discussed.