[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.

Method: 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.

Result: 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.

Conclusion: Aconitine and glycyrrhizic acid, aconitine and rhein, berberine and rhein can form macromolecular complexes, ephedrine and glycyrrhizic acid can not.