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Prediction of phase equilibrium of protein aqueous system
Zhang, X. P.; He, X. Z.; Li, C. S.; Zhang, S. J.; Dai, W. B.
Conference Name4th International Conference on Separation Science and Technology (ICSST-04)
Conference DateFEB 18-21, 2004
Conference PlaceNanning, PEOPLES R CHINA
PublisherWorld Scientific Publ Co Pte Ltd
AbstractPhase equilibrium calculation of thermodynamic system plays an important role in the separation and purification of many organic and inorganic materials. The phase diagram of protein aqueous system is predicted by the lattice thermodynamic model with parameters for the interaction between protein molecules in the liquid and in the solid phase. The essential features, such as liquid-liquid coexisting curve, spinodal curve and solubility curve were described based on the model reasonably. Also, the stable, unstable and metastable regions were shown clearly in the phase diagram. In the other hand, BP algorithm is proposed to simulate the solubility of protein in the salt aqueous and it would avoid the complexity of rigorous thermodynamic model and inaccuracy of estimation of interaction parameters. The results obtained with both of the approaches were compared with the experimental data. With predicted digital phase diagram, the protein crystallization process could be understood much intuitively and much flexibly. It offers a theoretical base for simulation and optimization of the crystallization process of proteins.
KeywordArtificial Neural-networks Molecular Thermodynamics Solubility Lysozyme Crystals Diagram Growth
Indexed ByCPCI
Document Type会议论文
Recommended Citation
GB/T 7714
Zhang, X. P.,He, X. Z.,Li, C. S.,et al. Prediction of phase equilibrium of protein aqueous system[C]:World Scientific Publ Co Pte Ltd,2004:95-100.
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