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101.
阐述了ICP-AES专家系统中AES电离和激发模型的基本原理,研究了模拟中应用non-LTE理论的正确性以及所需的支持数据库。利用Boltzmann曲线,讨论了Boltzmann温度的测量值随能级激发能变化的现象,并与类似条件下的经验Boltzmann曲线进行对比,证明了专家系统中AES电脑和激发模型可靠性。 相似文献
102.
The electrochemical behavior and the interaction of alizarin red S (ARS) with calf thymus DNA was investigated on a bare glassy carbon electrode (GCE) and DNA modified GCE (DNA/GCE), respectively. ARS showed a pair of redox peaks at ?0.445 V and ?0.414 V on a bare GCE. On addition of DNA into the ARS solution, the peak current of ARS decreased and the peak potential positively shifted, but without new redox peaks appeared. The ARS reduction peak current increased with immersion time on a DNA/GCE. The results showed that ARS could interact with DNA molecules by intercalative binding mode. The equilibrium constant, binding number and the ratio of binding constant for oxidized and reduced ARS forms were obtained. The DNA damage was directly detected by appearance of guanosine and adenosine bases oxidation signal. The influence of experimental conditions on DNA damage extent was discussed in detail. 相似文献
103.
用CoMFA和HQSAR两种QSAR方法研究了50个乙内酰脲类分子的定量构效关系.本研究从构象搜索所得的低能结构出发构建化合物分子的构象, 建立CoMFA模型,并进行了全空间搜索. HQSAR本质上是一种二维的QSAR方法,与CoMFA方法相比,该方法在数据处理方面,比CoMFA方法快捷,并且可重复性好.两种方法均得到了较好分析结果, CoMFA的交叉验证相关系数q2 值为0.815, HQSAR的q2值为0.893.这些方程有力地说明了该类分子在(R,R)-N-3,5-dinitrobenzoyl-1,2-diamine型手性固定相上拆分过程中的影响因素,对今后类似拆分的实验研究提供了理论支持. 相似文献
104.
纳米尺寸团簇NinZrn(n=3~5)的几何结构与成键规律研究 总被引:3,自引:0,他引:3
根据化学键理论与拓扑原理,设计了团簇NinZrn(n=3-5)的可能几何构型,并用从头算方法进行构型优化,结果表明,由NiZr组成的团簇原子间的Zr-Zr和Zr-Ni键明显较强,而Ni-Ni的成键较弱,并发与NinZrn(n=3-5)团簇电子性质与有机烯烃分子等瓣相似,原子之间的成键按照强弱相间的规则分布。 相似文献
105.
Jiang‐Tao Chen Hai‐Zhou Li Dong Wang Ying‐Jun Zhang Chong‐Ren Yang 《Helvetica chimica acta》2006,89(7):1442-1448
Three new dammarane monodesmosides, named notoginsenosides Ft1 ( 1 ), Ft2 ( 2 ), and Ft3 ( 3 ), together with three known ginsenosides, were obtained from a mild acidic hydrolysis of the saponins from notoginseng (Panax notoginseng (Burk .) F. H. Chen ) leaves. Their structures were elucidated to be (3β,12β,20R)‐12,20‐dihydroxydammar‐24‐en‐3‐yl O‐β‐D ‐xylopyranosyl‐(1 → 2)‐O‐β‐D ‐glucopyranosyl‐(1 → 2)‐β‐D ‐glucopyranoside ( 1 ), (3β,12β)‐12,20,25‐trihydroxydammaran‐3‐yl O‐β‐D ‐xylopyranosyl‐(1 → 2)‐O‐β‐D ‐glucopyranosyl‐(1 → 2)‐β‐D ‐glucopyranoside ( 2 ), and (3β,12β,24ξ)‐12,20,24‐trihydroxydammar‐25‐en‐3‐yl O‐β‐D ‐xylopyranosyl‐(1 → 2)‐O‐β‐D ‐glucopyranosyl‐(1 → 2)‐β‐D ‐glucopyranoside ( 3 ), by means of spectroscopic evidences. The known ginsenosides Rh2 and Rg3 4 – 6 were obtained as the major products from this acidic deglycosylation. 相似文献
106.
Promotion of Ionic Liquid to Dimethyl Carbonate Synthesis from Methanol and Carbcn Dioxide 总被引:2,自引:0,他引:2
Promotion of ionic liquid, 1-ethyl-3-methylimidazolium bromide (emimBr), to the synthesis of dimethyl carbonate (DMC) from methanol and carbon dioxide in the presence of potassium carbonate and less amount of methyl iodide under mild conditions was investigated. The results showed that the high selectivity and raised yield of DMC was achieved due to the addition of emimBr in the reaction system. And effect of several reaction conditions such as temperature, pressure and amount of emimBr was discussed. 相似文献
107.
Two multidentate ligands: N,N′-di-(propionic acid-2′-yl-)-2,9-di-aminomethylphenanthroline (L1) and N,N′-di-(3′-methylbutyric acid-2′-yl-)-2,9-di-amino-methylphenanthroline (L2) were synthesized and fully characterized by 1H NMR and elemental analysis. The binding ability of L1 and L2 to metal ions such as M(II) (M = Cu, Zn, Co and Ni) and Ln(III) (Ln = La, Nd, Sm, Eu, and Gd) has been investigated by potentiometric
titration in aqueous solution and 0.1 mol dm−3KNO3 at 25.0 ± °C. In view of the structure of L1 and L2, mononuclear metal complexes can be formed in solution. The stability constants of binary complexes of ligands L1 and L2
with metal ions M(II) and Ln(III) have been determined respectively and further discussed. 相似文献
108.
Two‐dimensional (2D) organic nanomaterials are attracting increasing research interest and expected to be the ideal candidate for future‐ proofed flexible electronics and biotechnologies. Owing to the complex molecular structures and multiple intermolecular interactions in organic systems, deeper understanding of rational molecular design and assembly principles is urgently required. In this review, a collection of molecular packing mode in the 2D organic nanomaterials via supramolecular assembly is presented, so as to help explicit the relationship among molecular structures, supramolecular interactions and molecular packing motifs in 2D assembly systems. We also provide a rational and accessible schematic model to demonstrate several typical kinds of molecular packing motifs for the prediction of the 2D morphology. 相似文献
109.
纳秒强激光场中苯电离产生高价离子的研究 总被引:2,自引:0,他引:2
用25 ns脉冲Nd-YAG 532 nm的激光,在1010~1011 W•cm-2的光场强度下,利用飞行时间质谱对He、 N2、Ar载气条件下苯的激光电离过程进行了研究.发现当利用氩作为载气时,除观察到C2+、C2H2+、C3H3+、C6H6+离子外,还观察到很强的Cq+(q=1~3)高价离子.这些离子都有很高的平动能, C2+的最可几平动能为12.9 eV, C3+为37.5 eV.通过改变载气种类和压力及在不同光场强度条件下的实验,可以认为这些高价离子来源于含苯团簇的库仑爆炸过程. 相似文献
110.
Two new C18-norditerpenoid alkaloids from Aconitum delavayi 总被引:2,自引:0,他引:2
Shan Hao Jiang Hai Qing Wang Yi Ming Li Shuang Jun Lin Jun Jie Tan Da Yuan Zhu 《中国化学快报》2007,18(4):409-411
Further phytochemical investigation of the unique C18-norditerpenoid alkaloids from the roots of Aconitum delavayi Franch ledto the isolation of two new norditerpenoid alkaloids,delavaconitine F 1 and delavaconitine G 2.Their structures were determinedfrom spectroscopic evidence. 相似文献