The Physical Essence of Decoction: From Molecular Extraction to Charge Topology Transfer

Abstract

Traditional Chinese medicine decoction has long been viewed as a chemical extraction process—water decocting dissolves the active components of medicinal herbs, and molecules are considered the sole carriers of medicinal efficacy. This paper proposes a competing hypothesis: the core function of decoction is not only molecular transfer, but also physical structure transfer—it transfers the charge distribution topology solidified in the herbs into the solvent, and in compound formula decocting, achieves the forced coupling of multi-source topologies. The molecular framework can be fractured by thermal perturbation under sustained heating, which is the chemical basis for detoxification through processing. However, the charge distribution pattern solidified on the framework—the orientation of polar groups, the topology of hydrogen bond networks, and the spatial distribution of local charge density—is not entirely erased by thermal perturbation, but is partially retained and functionally rearranged on the resulting molecular fragments. The essence of decoction is not a rejection of chemical reactions, but the retention, transfer, and recombination of physical structures while chemical reactions proceed simultaneously. A single-herb decoction transfers a single set of topology, while a compound decoction generates a new composite topology through the forced coupling of multiple independent topologies. The monarch-minister-assistant-envoy hierarchy is not a cultural convention, but the inevitable division of labor after the optimization of multi-source topology coupling: the monarch herb provides the primary topology, the minister herb supplements with auxiliary topology, the assistant herb corrects unstable nodes, and the envoy herb connects to the target branch. This paper further demonstrates that this charge distribution topology is specifically solidified in the geo-electrochemical field of a particular land for combating local pathogens. Local herbs treating local diseases is the inevitable result of physical coupling. The cold-warm opposition between ginseng and American ginseng, the differences in medicinal properties among three processing methods of the same batch of ginseng, the cross-species physical convergence between ginseng and kudzu root, and the global promotion and local drug resistance of artemisinin together provide multiple empirical validations of this principle. This paper is positioned as a testable hypothesis, aiming to provide a complete theoretical framework and verification pathway for subsequent empirical research, and proposes five testable predictions with explicit falsification conditions.