Key Takeaways & Executive Findings
- •• • Ultrafiltration-nanofiltration coupling resolved matrine ionic and molecular states with power-function correlation coefficients >0.97, enabling quantitative state analysis in complex TCM solutions where empirical structural control previously failed. • • In SFR extract alone, matrine existed as 36.90% ionic, 61.98% associated, and only 1.12–1.91% molecular states, establishing that molecular matrine is negligible and that associated forms dominate baseline extraction behavior. • • Increasing SMRR compatibility ratio shifted matrine ionic fraction from 66.73% down to 45.83% while complex state rose from 31.87% to 52.90%, demonstrating that acid-base complexation is ratio-dependent and directly alters mass transfer during manufacturing. • • The model is applicable to acid-base dominated systems such as alkaloid-phenolic acid and alkaloid-tannin pairs, but has limitations for multi-component systems with superimposed interactions, requiring complex/associated species separation coupled with NMR or small-angle X-ray scattering for structural resolution.
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Abstract
A confined mass transfer mathematical model was constructed to quantify the existing states of matrine in complex traditional Chinese medicine solutions and to resolve the influence of Salviae Miltiorrhizae Radix et Rhizoma (SMRR) to Sophorae Flavescentis Radix (SFR) compatibility ratios on acid-base complexation. Ultrafiltration-nanofiltration coupling exploited mass transfer differences between ionic and molecular states, using component transmission rate and membrane flux to fit matrine mass transfer coefficients. Molecular and ionic monomer references established a power-function quantitative model with correlation coefficients exceeding 0.97. In SFR extract alone, matrine distributed as 36.90% ionic, 61.98% associated, and 1.12–1.91% molecular states. Upon SMRR compatibility, the ionic fraction declined from 66.73% at low SMRR ratios to 45.83% at high SMRR ratios, while the complex state increased from 31.87% to 52.90%. Dynamic light scattering and scanning electron microscopy confirmed microstructural transitions. The model addresses the limitation of empirical pharmaceutical parameter control that neglects state-dependent mass transfer differences, providing a technical foundation for ordered production regulation linking manufacturing parameters, component states, and material transfer to improve batch-to-batch uniformity and stability of Chinese medicine preparations.
1. Introduction
Pharmaceutical manufacturing of traditional Chinese medicine formulations has long relied on empirical adjustment of process parameters based on chemical structure, while ignoring how component existing states—molecular, ionic, associated, or complexed—govern mass transfer behavior during concentration, alcohol precipitation, extraction, resin adsorption, and filtration. In complex solution environments, phenolic acids and alkaloids undergo dissociation inhibition, group exchange, and hydrogen bonding association. Prior work on Lonicera japonica during extraction, concentration, and alcohol precipitation demonstrated that dissociation inhibition and molecular association directly alter material transfer. Similarly, in Salviae Miltiorrhizae Radix et Rhizoma–Aurantii Fructus Immaturus formulations, acid-base complexation drives multiple active components into extremely high complex-state proportions. These state changes directly affect pharmaceutical material transfer, yet unclear acid-base complexation mechanisms have restricted quantitative resolution of component states in complex TCM solutions.
This study establishes a component-state quantitative calculation model based on confined mass transfer mathematics, using ultrafiltration-nanofiltration coupling to enhance separation differences between matrine ionic and molecular states. By fitting mass transfer coefficients with component transmission rate and membrane flux as evaluation indicators, and using molecular and ionic monomer components as references, the model quantifies molecular, ionic, and associated/complex states in Sophorae Flavescentis Radix extract and Salviae Miltiorrhizae Radix et Rhizoma–Sophorae Flavescentis Radix co-extracts. Dynamic light scattering and scanning electron microscopy provide microstructural validation. The approach overcomes the limitation of empirical structural control that neglects state-dependent mass transfer differences, enabling a systematic analysis paradigm of separation behavior difference–existing state change–microscopic physical state characterization, and providing technical feasibility for ordered production regulation linking manufacturing parameters, component states, and material transfer to improve batch-to-batch uniformity and stability.
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XING Dantong, ZHANG Zihan, YU Guilu, ZHI Xinglei, DONG Zhengqi, LI Cunyu (2026). Analysis of Acid-Base Complexation Reaction Patterns of Salvianolic Acid B and Matrine During Compatibility of Salviae Miltiorrhizae Radix et Rhizoma and Sophorae Flavescentis Radix Based on a Quantitative Model of Component States. Chinese Traditional and Herbal Drugs. https://doi.org/10.7501/j.issn.0253-2670.2026.15.20261506
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Frequently Asked Questions
What is the quantitative accuracy and validation basis of the component-state model for matrine in complex TCM solutions?
The power-function equations for quantifying matrine existing states yielded correlation coefficients all greater than 0.97, establishing model validity. Ultrafiltration-nanofiltration coupling enhanced separation differences between ionic and molecular states, improving ionic-state quantification accuracy. In SFR extract, matrine distributed as 36.90% ionic, 61.98% associated, and 1.12–1.91% molecular, with molecular fraction remaining extremely low across both SFR and co-extract solutions.
How does the SMRR to SFR compatibility ratio mechanistically alter matrine existing states and what are the operational thresholds?
At low SMRR compatibility ratios, matrine ionic state dominated at 66.73%. As SMRR ratio increased, the ionic fraction declined to 45.83% while the complex state rose from 31.87% to 52.90%. This ratio-dependent shift demonstrates that acid-base complexation between salvianolic acid B and matrine is not simple physical mixing but changes the solution environment, redistributing matrine into structurally complex composite forms.
What are the failure mechanisms or limitations of this model under multi-component superimposed interactions?
The model is applicable to TCM formula systems dominated by acid-base interactions, such as alkaloid-phenolic acid and alkaloid-tannin pairs. For multi-component complex systems with superimposed multiple interactions, it has limitations and cannot distinguish specific fine structural differences. Resolution requires preparing corresponding complex/associated species for ordered separation and coupling with nuclear magnetic resonance and small-angle X-ray scattering to increase method universality.
What industrial manufacturing bottlenecks does this state-quantification approach address, and what is the pathway to implementation?
The model resolves the limitation of empirically adjusting manufacturing parameters based on chemical structure while ignoring mass transfer differences caused by existing state changes. By quantifying molecular, ionic, and complex proportions in complex solution environments, it enables fitting mathematical correlations between existing states and material transfer across concentration, alcohol precipitation, extraction, resin adsorption, and filtration unit operations. This provides technical feasibility for an ordered production regulation model of manufacturing parameters–component states–material transfer, improving batch-to-batch quality uniformity and stability.
What microstructural evidence supports the state transitions identified by the mass transfer model?
Dynamic light scattering particle size detection and scanning electron microscopy micro-morphology characterization were combined with the membrane separation k-correlation model. These orthogonal techniques established a research paradigm of separation behavior difference–existing state change–microscopic physical state characterization, systematically analyzing acid-base compatibility state changes in complex solution systems and confirming that component states distribute across multiple forms rather than as simple physical mixtures.
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