[Studies on chemical structure of complexes compounds formed by acid and alkaline components of pair medicines in decoction].
OBJECTIVE
To study the chemical structures of macromolecular complexes formed by aconitine and glycyrrhizic acid, aconitine and rhein, berberine and rhein, ephedrine and glycyrrhizic acid in decoctions.


METHODS
The binding energy of reactants and products was determined by X-ray spectrography, the ground level charge distribution of products was caculated by density function theory of quantum chemistry.


RESULTS
The binding energy of aconitine and glycyrrhizic acid, aconitine and rhein, berberine and rhein were changed after reaction. The characteristic atoms in the molecular structures of acid components have higher positive electric charge, while the ones in alkaline components have higher negative charge.


CONCLUSIONS
Aconitine and glycyrrhizic acid, aconitine and rhein, berberine and rhein can form macromolecular complexes, ephedrine and glycyrrhizic acid can not.
Pei
Miaorong
M
Department of Chinese Materia Medica, Shanxi University of Traditional Chinese Medicine, Taiyuan 030024, China. peimr602@163.com
Xuan
Chunsheng
C
Duan
Xiujun
X
Pei
Xiangping
X
D000143:Acids / Q000737:chemistry*; D000468:Alkalies / Q000737:chemistry*; D004365:Drugs, Chinese Herbal / Q000737:chemistry*
D000143:Acids; D000468:Alkalies; D004365:Drugs, Chinese Herbal