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The permeation enhancing activity of Azone for ketoprofen through excised cavia skins was investigated using Franz diffusion cell. The possible hydrogen-bonded complexes formed between ketoprofen and the model molecule of Azone as azacyclopentane-2-one were fully optimized at the B3LYP/6-311++G** level. The intermolecular hydrogen-bonding interactions were calculated using the B3LYP/6-311++G**, B3LYP/6-311++G(2df, 2p), MP2(full)/6-311++G** and MP2(full)/6-311++G(2df, 2p) methods, respectively. The results show that the steady-state permeation rate of ketoprofen through excised cavia skins enhances over 9 times in the solvent with 2% Azone as compared with the solvent without Azone. The stable O–H···O=C and N–H···O=C hydrogen-bonded complexes could exist between azacyclopentane and ketoprofen. The hydrogen-bonding interaction energy follows the order of(a) (b) (c) (d) (g)(e) (h) (f). The formation of the complexes leads to the change of the conformation and molecular polarity of ketoprofen, and thus causes a better percutaneous permeation for the drug. The analyses of AIM(atom in molecule) and shift of electron density were used to further reveal the nature of the enhancing permeation activity of Azone for ketoprofen. The investigations of the temperature and solvent effects confirm that ketoprofen might enter into the skin by means of the Azone complex. 相似文献
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采用组合的方法,对∑nk=0n+kknk(m-1)n-k=∑nk=0nk2mk这一等式提供了一种全新的证明.此外,还提供了一种完全不用微积分的代数证明. 相似文献
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核磁共振系统是实现量子计算的有效物理体系之一.但是随着量子位数的不断增加,运用核磁共振技术实现计算任务存在明显的局限性,原因之一是量子计算的初始态-赝纯态,随着量子位数的增加,信号指数性的衰减,量子位数越多制备赝纯态所需的脉冲序列越复杂,越不容易实现,不利于量子位数的扩展;另外,由于核磁共振中制备的赝纯态实际上也是一种混合态,用于实现量子信息任务时存在一定的争议.该文介绍的利用仲氢诱导极化技术(PHIP)制备出的实验初态,能够解决初态处于混合态的问题,并且信号强度显著增强,作者利用此态实现了 ALTADENA 条件下的两量子位的 Deutsch-Jozsa 量子算法和 PASADENA 条件下的三量子位的Deutsch-Like 量子算法. 相似文献
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