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排序方式: 共有96条查询结果,搜索用时 31 毫秒
1.
利用分子的VolSurf参数预测化合物的水溶解度并阐明有利于水溶解度的主要分子结构特征.被测化合物包括185个共两大系列分子,使用偏最小二乘判别分析和多元线性回归方法在实验数据和分子特征之间建立相关性,均得到较好的结果.以70个化合物所建立的训练集模型对其余115个化合物有较好的预测能力.参数分析表明分子内较大的亲水区域对水溶解度有利;分子质心与疏水区、亲水区之间的不平衡性越高,水溶解度越大;分子量及体积大的分子对其水溶解度不利. 相似文献
2.
综述了锌在小儿神经系统疾病和内分泌代谢性疾病中的作用及临床意义,尤其是对癫痫的发病起重要作用,大量资料证明高锌与癫痫发作有关,其血锌值明显高于健康儿童,因此在治疗中不要轻易补锌。还综述了锌与智能发育障碍、生长发育障碍、多动症、胎儿畸形、遗传性感音神经性聋等疾病的关系及在治疗糖尿病、肝豆状核变性等内分泌和代谢性疾病时要注意维持锌的正常动态平衡。 相似文献
3.
YiHU JueCHEN ZhangGaoLE ZhenChuCHEN QinGuoZHENG 《中国化学快报》2005,16(7):903-905
An efficient method is reported for the synthesis of phenacyl esters by reaction of carboxylic acids with a-bromoacetophenone promoted by potassium fluoride in ionic liquid [Bmim]PF6, the yield of the reaction is almost quantitative and the products are essentially pure. 相似文献
4.
The present paper employed density function theory to investigate two reaction pathways for isomerization of enol ester proposed by Yang(path a) and the present authors(path a), respectively. The base catalytic effects of solvent triethylamine on these two reactions were also evaluated. It is demonstrated that path B is more preferable than path a due to low barrier height for the rate-determining step. 相似文献
5.
Ningbo Zhang Yonggang Du Meng Cui Zhiqiang Liu Shuying Liu 《Analytical and bioanalytical chemistry》2014,406(15):3537-3549
Platinum drugs have become one of the most important kinds of chemotherapy agents, and the interactions of these drugs with proteins play very important roles in their side effects and drug resistance. However, it is still a challenge to determine the binding sites of platinum drugs in proteins with multiple disulfide bonds and stable three-dimensional structures using mass spectrometry. Here, the interaction between cisplatin and hen egg white lysozyme (HEWL), a multi-disulfide-bond-containing protein with a stable three-dimensional structure, was investigated using Fourier transform ion cyclotron resonance mass spectrometry. Typical disulfide bond reduction with dithiothreitol/tris(2-carboxyethyl)phosphine before trypsin digestion destroyed the binding of cisplatin to HEWL, and no platination sites were found. Efficient trypsin digestion methods for HEWL–cisplatin adducts were developed to avoid the loss of platinum binding to protein. At 55 °C, platinated HEWL was digested directly by trypsin in 6 h, and multiple platinated peptides were observed. In 60 % acetonitrile, the digestion time of platinated HEWL was shortened to 2 h, and most of the platinated peptides were observed. In addition, the reduction of the disulfide bonds of HEWL greatly accelerated the reaction between HEWL and cisplatin, and the potential binding sites of cisplatin in reduced HEWL could be easily recognized. On the basis of the above-mentioned methods, multiple binding sites of cisplatin in HEWL were first identified by mass spectrometry. Figure
Digestion methods for HEWL-cisplatin adducts 相似文献
6.
空穴传输基团修饰的吡嗪铱配合物的合成及其发光性质 总被引:1,自引:0,他引:1
设计合成了空穴传输性咔唑基团修饰的吡嗪配体, 2,3-二(4-(9-咔唑基甲基)苯基)-5-甲基吡嗪(CzMPMP)及其铱配合物Ir(CzMPMP)2(acac)(acac: 乙酰丙酮). 用核磁共振(NMR)、质谱、元素分析等方法对其进行了表征, 并用紫外-可见吸收光谱、液相和固相光致发光光谱对其光学性质进行了研究. 通过与没有咔唑取代基的2,3-二苯基-5-甲基吡嗪铱配合物Ir(DPMP)2(acac)进行对照, 说明咔唑基团对配合物的光学性质有显著影响. 不含咔唑取代基的配合物Ir(DPMP)2(acac)的固态光致发光光谱中存在很强的激活双体(excimer)峰, 而Ir(CzMPMP)2(acac)的固态光致发光光谱中未发现有激活双体峰; 并且在溶液中, 含有咔唑取代基的配合物Ir(CzMPMP)2(acac)较Ir(DPMP)2(acac)的光致发光强度有显著提高. 这些结果说明咔唑基团的空间位阻可以有效阻止配合物成膜时产生激活双体, 从而消除发射峰红移现象并提高发光效率. 相似文献
7.
YU Xin LIU Kangsheng CHEN Pengnian Laboratory of Information Optimization Technologies Ningbo Institute of Technology Zhejiang University Ningbo Zhejiang China 《数学年刊A辑(中文版)》2007,(5)
研究在非自反状态空间和自反控制空间中无限维线性系统x(t)=Ax(t) Bu(t)的精确能控性和精确零能控性.当A生成C-半群时,得到这个系统关于L~p([O,T],U),1
相似文献
8.
含Eu3+离子的Na2O-K2 O-SiO2-Al2O3系统玻璃的制备及其变温发射光谱与结构特性 总被引:5,自引:3,他引:2
通过高温熔融法制备了含Eu^3 离子的Na2O-K2O-SiO2-Al2O3系统玻璃。在488nm波长光的激发下,系统地研究了上述玻璃从77K到700K温度范围的变温发光特征。发现总的荧光强度首先随温度的升高而大幅度升高,然后随温度的升高而减少,用声子辅助吸收与热激活过程及温度淬灭效应定性地解释了上述强度的变化,同时测量与分析了Eu^3 离子的晶格场参量。结果表明,Eu^3 离子与氧离子的距离随着温度升高而变短,而Eu^3 离子的配位数不随温度而变化。 相似文献
9.
10.
Zou J Pan L Li Q Zhao J Pu J Yao P Gong N Lu Y Kondratyuk TP Pezzuto JM Fong HH Zhang H Sun H 《Organic letters》2011,13(6):1406-1409
From the medicinal plant Isodon rubescens, we isolated two novel diterpenes, rubesanolides A (1) and B (2). The compounds contain a unique β-lactone subgroup. This is the first discovery for a natural diterpene having rings A, B, and C in chair, boat, and twist-chair conformations, respectively. The structures were elucidated by analysis of spectroscopic data, and the absolute configuration of 1 was determined by X-ray diffraction. 相似文献