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A geometric pore adsorption model for predicting the drug loading capacity of insoluble drugs in mesoporous carbon

机译:预测毛孔碳中不溶性药物载药量的几何孔吸附模型

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In this work, a simple and accurate geometric pore-adsorption model was established and experimentally validated for predicting the drug loading capacity in mesoporous carbon. The model was designed according to the shape of pore channels of mesoporous carbon and the arrangement of drug molecules loaded in the pores. Three different small molecule drugs (celecoxib, fenofibrate and carvedilol) were respectively loaded in mesoporous carbon with different pore sizes. In order to test the accuracy of the established model, nitrogen adsorption-desorption analysis was employed to confirm the pore structure of mesoporous carbon and to calculate the occupation volume of the adsorbed drugs. The adsorption isotherms of celecoxib were systematically investigated to describe the adsorption process. It was found that the experimental results of adsorption capacity were all in the range of the predicted values for all the tested drugs and mesoporous carbon. The occupation volumes calculated from the model also agreed well with the experimental data. These results demonstrated that the established model could accurately provide the range of drug loading capacity, which may provide a useful option for the prediction of the drug loading capacity of small molecule drugs in mesoporous materials. (C) 2015 Elsevier B.V. All rights reserved.
机译:在这项工作中,建立了一个简单而准确的几何孔吸附模型,并通过实验验证了该模型可预测中孔碳中的载药量。根据中孔碳的孔道形状和孔中载药分子的排列设计模型。将三种不同的小分子药物(塞来昔布,非诺贝特和卡维地洛)分别装入具有不同孔径的中孔碳中。为了验证所建​​立模型的准确性,采用氮吸附-解吸分析法确定了介孔碳的孔结构,并计算了所吸附药物的占有量。系统地研究了塞来昔布的吸附等温线以描述吸附过程。发现所有被测药物和中孔碳的吸附容量实验结果均在预测值范围内。从模型计算出的占用量也与实验数据吻合得很好。这些结果表明,所建立的模型可以准确地提供载药量范围,为预测中孔材料中小分子药物的载药量提供了有益的选择。 (C)2015 Elsevier B.V.保留所有权利。

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