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141.
142.
Shiling Yuan Yijian Chen Guiying Xu 《Colloids and surfaces. A, Physicochemical and engineering aspects》2006,280(1-3):108-115
Molecular dynamics simulations on surfactant octadecylammonium chloride at the air/liquid interface were performed. It was found that the alkyl chains of octadecylammonium would change to order with increasing the concentration of octadecylammonium at the air/liquid interface. Some functions, such as the concentration distributions, the radial distribution function and the mean squared displacement (MSD) were evaluated to investigate the structural properties of interface. We found that the salts can affect octadecylammonium aggregate at the interface: (1) univalent ions, such as chloride and sodium ions, affect slightly the structure of monolayer and (2) bivalent ions, such as sulfate or calcium ions, affect greatly, especially for the bivalent negative ions. 相似文献
143.
The discovery of selective cyclooxygenase-2 (COX-2) inhibitors represents a major achievement of the efforts over the past few decades to develop therapeutic treatments for inflammation. To gain insights into designing new COX-2-selective inhibitors, we address the energetic and structural basis for the selective inhibition of COX isozymes by means of a combined computational protocol involving docking experiment, force field design for the heme prothetic group, and free energy perturbation (FEP) simulation. We consider both COX-2- and COX-1-selective inhibitors taking the V523I mutant of COX-2 to be a relevant structural model for COX-1 as confirmed by a variety of experimental and theoretical evidences. For all COX-2-selective inhibitors under consideration, we find that free energies of binding become less favorable as the receptor changes from COX-2 to COX-1, due to the weakening and/or loss of hydrogen bond and hydrophobic interactions that stabilize the inhibitors in the COX-2 active site. On the other hand, COX-1-selective oxicam inhibitors gain extra stabilization energy with the change of residue 523 from valine to isoleucine because of the formations of new hydrogen bonds in the enzyme-inhibitor complexes. The utility of the combined computational approach, as a valuable tool for in silico screening of COX-2-selective inhibitors, is further exemplified by identifying the physicochemical origins of the enantiospecific selective inhibition of COX-2 by -substituted indomethacin ethanolamide inhibitors. 相似文献
144.
145.
Th. Ramdahl J. Arey B. Zielinska R. Atkinson A. M. Winer 《Journal of separation science》1986,9(9):515-517
This paper reports the retention indices of eighteen of the possible twenty-five dinitrofluoranthene isomers. 相似文献
146.
非水介质毛细管电泳电导检测舒血宁片中槲皮素含量 总被引:6,自引:0,他引:6
以甲醇:水=70:30的体系为分离介质,柠檬酸-三(羟甲基)氨基甲烷(Citric acid-Tris)为支持电解质,使用电导检测,对槲皮素及其制剂舒血宁片进行了毛细管电泳分离检测,对电泳介质的种类、浓度、表观pH值以及操作电压和进样时间对分离的影响进行了研讨,并对分离检测机理进行了探讨。建立的测定槲皮素的方法的线性范围为:8.0-160.0mg/L;峰面积的RSD(n=6)为1.7%,检出限为1.0mg/L;样品加标回收率为92.8%-98.2%。 相似文献
147.
Jordi Faraudo Alex Travesset 《Colloids and surfaces. A, Physicochemical and engineering aspects》2007,300(3):287-292
In this paper, we argue that many of the fascinating electrostatic effects that take place in amphiphilic systems are strongly related to the particular organization of the oxygen atoms within each individual molecule. In particular, we focus on two effects: charge inversion and dielectric overscreening. For that purpose, we present molecular dynamics simulations of phosphatidic acid (DMPA2−) in the presence of divalent counterions. Our results show that the many oxygens present in DMPA2− cooperatively create strong binding sites for counterions, which in some cases lead to charge inversion. We also present an analysis of the role of interfacial water and relate our analysis to the phenomenon of dielectric overscreening. Several experimental implications are discussed in the conclusions. 相似文献
148.
Study of urinary nucleosides as biological marker in cancer patients analyzed by micellar electrokinetic capillary chromatography 总被引:10,自引:0,他引:10
Thirteen normal and modified nucleosides, primarily degradation products of transfer ribonucleic acid (tRNA), were evaluated as potential tumor markers for cancer patients. Their urinary concentrations were determined by means of micellar electrokinetic capillary chromatography (MEKC) in the urine from 54 healthy adults and 70 cancer patients, then quantitatively expressed as a function of creatinine excretion. It was found that urinary nucleosides for cancer patients were on the average significantly higher than those for healthy controls, however, no significant differences were found between male and female or between different ages. Based on 13 urinary nucleoside concentrations, principal component analysis (PCA) could be used to classify 72% of cancer patients from the healthy controls. The present study shows that the precise measurement of urinary nucleosides by MEKC in combining with PCA technique may provide a clinically useful approach for diagnosis of cancer. 相似文献
149.
通过流动相中电解质浓度对毛细管电色谱柱效能的流动相平均线速度的影响,研究了CEC中双电层叠加现象。提出选择合适电解质组成的浓度及在制备色谱柱过程中避免细小和破碎的固定相颗粒进入柱中,以有效地减小双电层叠加作用。 相似文献
150.
We consider the equilibrium dynamics of a system consisting of a spin interacting with an ideal Fermi gas on the lattice , 3. We present two examples: when this system is unitarily equivalent to an ideal Fermi gas or to a spin in an ideal Fermi gas without interaction between them. 相似文献