A variety of organic and inorganic structures can be intercalated into Layered Double-Hydroxide (LDH) structures, which makes them extremely promising for drug delivery and gene therapy applications. The interactions between these organic (DNA) or inorganic (NO₃^-) molecules and the nanoparticle layers are still poorly understood. 

Pierre Tran of the CCMS at UQ is studying these interactions in order to gain an understanding of potential applications for these LDH structures.

A model structure of the LDH containing NO₃^- counterions has been made, and will be studied using the DL_POLY molecular simulation package on APAC and QCIF funded computers.  A combination of different forcefields is being used to study the interlayer complex system via real time molecular dynamics (MD), which allows the starting structure to relax into the equilibrium structure. 

The ultimate goal of the project is to show the conformations and the stabilizing interactions between DNA and the inorganic crystal structure of the LDH. 

Participants

Dr Pierre Tran,
Centre for Computational Molecular Science, University of Queensland