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Title of article :
Theoretical study of the hydrogen bonding interaction between Levodopa and a new functionalized pillared coordination polymer designed as a carrier system
Author/Authors :
Arenzano، نويسنده , , Jesْs A. and del Campo، نويسنده , , Jorge M. and Virues، نويسنده , , Jorge O. and Ramirez-Montes، نويسنده , , Pedro I. and Santillلn، نويسنده , , Rosa and Rivera، نويسنده , , José Marيa، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2015
Pages :
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Abstract :
The solvothermal reaction of Co(NO3)2⋅6H2O, Pyrazine (L1) and 5-Aminoisophthalic acid (L2) let to the formation of a new functionalized pillared coordination polymer with possible application as a carrier system for drug delivery. The X-ray diffraction confirmed the structure of the material and theoretical density functional calculations using a non-empirical hybrid functional PBE0 were done to evaluate the possible hydrogen bonding interaction between the free amine group present in the pillared material and the carboxylic unit belonging to the pharmaceutical Levodopa. The stabilization energy for the model proposed resulted in 11 kcal/mol.
Keywords :
X-ray studies , DFT , Carrier systems , crystal packing , Hydrogen bonding
Journal title :
Journal of Molecular Structure
Serial Year :
Link To Document :