Structure, molecular simulation, and release of a spirin from intercalated Zn-Al-layered double hydroxides

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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  • Zilin Meng
  • Xiaowei Li
  • Fengzhu Lv
  • Qian Zhang
  • Yihe Zhang


Original languageEnglish
Pages (from-to)339-345
Journal / PublicationColloids and Surfaces B: Biointerfaces
Online published30 Jul 2015
Publication statusPublished - 1 Nov 2015


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.

Research Area(s)

  • Acetylsalicylic acid, Molecular simulation, Release, Zn-Al-layered double hydroxides

Citation Format(s)