Structure, molecular simulation, and release of aspirin from intercalated Zn-Al-layered double hydroxides.
Aspirin or acetylsalicylic acid (AA), a non-steroidal anti-inflammatory drug, is intercalated into Zn-Al-layered double hydroxides (ZnAl-LDHs) by co-precipitation and reconstruction methods. The composition, structure, and morphology of the intercalated products as well as their release behavior are determined experimentally and theoretically by Material Studio 5.5. Experimental results disclose the strong interaction between the LDHs sheets and AA in the intercalated ZnAl-LDHs produced by co-precipitation and slow release of AA from the intercalated ZnAl-LDHs in both phosphate buffered saline (PBS) and borate buffered saline (BBS) solutions. The percentage of AA released from the ZnAl-LDHs prepared by both methods in PBS (96.87% and 98.12%) are much more than those in BBS (68.59% and 81.22%) implying that both H4BO4(-) and H2PO4(-) can exchange with AA in the ZnAl-LDHs. After AA is released to PBS, ZnAl-LDHs break into small pieces. The experimental results are explained theoretically based on the calculation of the bonding energy between the anions and LDHs sheets as well as the AlO bond length change in the LDHs sheets.
Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Science and Technology, China University of Geosciences, Beijing 100083, China.
Zilin
Z
Meng
Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Science and Technology, China University of Geosciences, Beijing 100083, China.
Xiaowei
X
Li
Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Science and Technology, China University of Geosciences, Beijing 100083, China. Electronic address: lfz619@cugb.edu.cn.
Fengzhu
F
Lv
Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Science and Technology, China University of Geosciences, Beijing 100083, China.
Qian
Q
Zhang
Department of Physics & Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon, Hong Kong, China.
Paul K
PK
Chu
Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Science and Technology, China University of Geosciences, Beijing 100083, China. Electronic address: zyh@cugb.edu.cn.
Yihe
Y
Zhang
D000536:Aluminum Hydroxide / Q000737:chemistry*; D000838:Anions / Q000737:chemistry; D001241:Aspirin / Q000008:administration & dosage* / Q000737:chemistry*; D003198:Computer Simulation; D003692:Delayed-Action Preparations; D006878:Hydroxides / Q000737:chemistry*; D007364:Intercalating Agents; D007700:Kinetics; D017550:Spectroscopy, Fourier Transform Infrared; D014961:X-Ray Diffraction; D017967:Zinc Compounds / Q000737:chemistry*
D000838:Anions; D003692:Delayed-Action Preparations; D006878:Hydroxides; D007364:Intercalating Agents; D017967:Zinc Compounds; D000536:Aluminum Hydroxide; C052745:zinc hydroxide; D001241:Aspirin
Acetylsalicylic acid; Molecular simulation; Release; Zn–Al-layered double hydroxides