The Study On The Permeability And Interaction Of Membrane Process Of Traditional Chinese Medicine Alkaloids Using RC And PES Membrane As Examples

Traditional Chinese medicine is an important part of the treasure source of Chinese medicine.For thousands of years,the clinical use of traditional Chinese medicine based on water extract has fully demonstrated the safety and effectiveness of obtaining pharmacodynamic substances from the aqueous extract of traditional Chinese medicine.Traditional Chinese medicine aqueous extract is an important carrier for innovative drug research.It is an important link to create a new drug delivery system and a new preparation through the precise separation of traditional Chinese medicine water extract to obtain small dose effective parts.The active ingredients of traditional Chinese medicine aqueous extracts mainly include alkaloids,glycosides,phenolic acids,etc.Among them,alkaloids are a kind of indispensable components of the pharmacologically active components of traditional Chinese medicines,and the accurate separation of these pharmacologically active ingredients is the key to achieve high-efficiency application of traditional Chinese medicine.Membrane separation technology is a new technology applied to the separation of traditional Chinese medicine water extract.It has the advantages of low pollution,low energy consumption and no phase change in the separation process.It has a distinctive feature of mesoscale structure(microfiltration,ultrafiltration).The pore size of the membrane material such as nanofiltration is between micrometers and nanometers,thereby exhibiting a violation of conventional material motion characteristics.In order to achieve high-efficiency separation of pharmacologically active components in traditional Chinese medicine aqueous extracts,the study on the separation and transmission laws and interactions of traditional Chinese medicines based on structural features in the process of membrane separation is to unravel the mechanism of membrane separation of traditional Chinese medicines.It is the necessary part of the separation characteristics of the component membrane.In this thesis,the separation of the chemical constituents of alkaloids during the separation of organic membranes was studied by combining macroscopic experiments with micromolecular dynamics simulations with organic membranes RC and PES and 10 alkaloids.The preliminary study on the interaction mechanism between alkaloids and two organic membranes lays a foundation for the study of membrane separation mechanism of traditional Chinese medicine chemical constituents,and provides theoretical basis for the design of traditional Chinese medicine special separation membranes and related process optimization.The research of this thesis is divided into the following three parts:1 Study on the chemical constituents of 10 alkaloids and the properties of organic membranes.The physical and chemical parameters such as molecular size and dipole moment of 10 alkaloid small molecules were obtained by querying the database and Chemoffice software.The system simulation method were used,and 10 kinds of alkaloid simulated solutions of 3mmol·L-1 were configured,and the pH value was detected to obtain the acidity and alkalinity data of 10 kinds of alkaloid aqueous solutions.The surface morphology and cross-section microstructure of RC membrane and PES membrane were observed by scanning electron microscopy.The contact angles between ultrapure water and RC membrane and PES membrane were measured respectively.The hydrophobicity of organic membrane was obtained for subsequent research.The experimental results can provide data support for the analysis of experiment of membrane separation.2 Study on the permeability law of 10 alkaloids passing through RC Membrane and PES Membrane.In this paper,the system simulation method was used,10 kinds of alkaloid simulated solutions of the same concentration were configured,and RC1K,RC5K,PES1K and PES5K membrane separation experiments were carried out to investigate the law of permeation of 10 alkaloids with different physical and chemical properties passing through the RC membrane and PES membrane.The research shows that(1)The permeability of 10 kinds of alkaloids with different structural properties passing through the RC and PES membranes is mainly affected by the structure of the alkaloid and the pore size of the membrane.During the membrane separation process,the membrane pore expansion effect of the organic membrane will separate the membrane.The permeability of the alkaloids has an effect,which is more pronounced on membranes with larger molecular size and smaller membrane pore size.(2)The components with larger molecular weight and relatively larger spatial structure size have higher permeability through the same membrane than berberine,matrine,etc,which have a smaller molecular weight and a smaller spatial structure.The alkaloid component,this result is also reflected in the membrane properties of berberine and palmatine with similar molecular weight.The palmatine with larger spatial structure has lower permeability than the berberine with relatively small spatial structure.The permeability of all 10 alkaloids passing through the RC5K membrane was higher than that of the RC 1K membrane,and the permeability passing through the PES5K membrane was higher than that of the PES 1K membrane.This result indicates that the membrane pore size has an important influence on the alkaloid permeability.For the separation membrane of the same material,the separation membrane with large pore diameter and high porosity is more favorable for the alkaloids passing through the membrane.3 Molecular dynamics 3D model of 10 alkaloids,RC membrane and PES membrane was established by using molecular dynamics simulation software Gromacs.The simulation parameters were set up,molecular dynamics simulation was carried out,and 10 kinds of alkaloids were moved on the surface of the membrane.Trajectory and interaction energy between alkaloid and membrane surface.By comparing the interactions between the chemical constituents of 10 alkaloids and the RC membrane and PES membrane,the affinity relationship between different alkaloids and membrane surface was obtained,and the correlation analysis software was used to analyze the physical and chemical parameters of alkaloids and the transmittance of alkaloids.The interaction energy with the membrane surface was correlated with the transmittance of the organic ultrafiltration membranes of the two materials.The results show that:(1)The permeability of alkaloids passing through the organic membrane is negatively correlated with molecular weight and molecular size,positively correlated with the pore size of the organic membrane,the interaction strength between the surface of the organic membrane and the alkaloid,and the dipole moment of the alkaloid molecule.The pH value of the aqueous solution of alkaloids is less correlated.This indicates that in the system of this study,the organic membrane permeability of alkaloids is mainly affected by the alkaloid structure size and membrane pore size.(2)Among the interactions between alkaloids and organic membranes,van der Waals interaction plays a dominant role,and the affinity between the energy intensity of the interaction between the alkaloid and the organic membrane is positively correlated with the permeability of the alkaloid through the organic membrane.This indicates that the permeability of the alkaloid passing through the organic membrane is affected to some extent by the interaction of the organic membrane,and this effect shows a large positive correlation in the correlation analysis.This result can provide a theoretical basis and a new idea for the selection of membrane materials and the design of exclusive separation membranes for the specific high-permeability membranes of Chinese medicines.