کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
72320 49017 2016 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Pore size effect on the stabilization of amorphous drug in a mesoporous material: Insights from molecular simulation
ترجمه فارسی عنوان
تأثیر اندازه پوسته روی تثبیت مواد مخدر آمورف در مواد مزوپور: بینش از شبیه سازی مولکولی
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی کاتالیزور
چکیده انگلیسی


• Molecular simulation is performed to probe into atomistic details on how mesoporous materials stabilize ibuprofen.
• Strong intermolecular interactions of ibuprofen and mesoporous material prevent recrystallization of ibuprofen.
• As the pore size increases, the intermolecular interactions between ibuprofen and mesoporous material decrease.
• The simulation findings give a clearer picture to support the experimental works of confined amorphous drugs.

In this work, molecular dynamics simulation techniques are employed to study the effect of mesoporous MCM41 material in stabilizing ibuprofen amorphous drug. Our simulation results show that the intermolecular interaction occurring between ibuprofen amorphous drugs and mesoporous material decreases the possibility of self-organization of ibuprofen molecules and therefore prevents recrystallization. The maximum pore diameter of mesoporous MCM41 found to be effective in stabilizing the amorphous ibuprofen was about 20 nm. The methodology used in this study provides valuable insight towards molecular level understanding of confined amorphous active pharmaceutical ingredients (APIs).

Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Microporous and Mesoporous Materials - Volume 221, February 2016, Pages 117–122
نویسندگان
, , ,