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Predicting asymmetric phospholipid microstructures in solutions
Asymmetric phospholipid microstructures, such as asymmetric phospholipid membranes, have potential applications in biological and medicinal processes. Here, we used the dissipative particle dynamics simulation method to predict the asymmetric phospholipid microstructures in aqueous solutions. The as...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055179/ https://www.ncbi.nlm.nih.gov/pubmed/35516199 http://dx.doi.org/10.1039/d0ra03732j |
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author | Shan, Yue Ji, Yongyun Wang, Xianghong He, Linli Li, Shiben |
author_facet | Shan, Yue Ji, Yongyun Wang, Xianghong He, Linli Li, Shiben |
author_sort | Shan, Yue |
collection | PubMed |
description | Asymmetric phospholipid microstructures, such as asymmetric phospholipid membranes, have potential applications in biological and medicinal processes. Here, we used the dissipative particle dynamics simulation method to predict the asymmetric phospholipid microstructures in aqueous solutions. The asymmetric phospholipid membranes, tubes and vesicles are determined and characterized by the chain density distributions and order parameters. The phase diagrams are constructed to evaluate the effects of the chain length on the asymmetric structure formations at equilibrium states, while the average radius of gyration and shape factors are calculated to analyze the asymmetric structure formations in the non-equilibrium processes. Meanwhile, we predicted the mechanical properties of the asymmetric membranes by analyzing the spatial distributions of the interface tensions and osmotic pressures in solutions. |
format | Online Article Text |
id | pubmed-9055179 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | The Royal Society of Chemistry |
record_format | MEDLINE/PubMed |
spelling | pubmed-90551792022-05-04 Predicting asymmetric phospholipid microstructures in solutions Shan, Yue Ji, Yongyun Wang, Xianghong He, Linli Li, Shiben RSC Adv Chemistry Asymmetric phospholipid microstructures, such as asymmetric phospholipid membranes, have potential applications in biological and medicinal processes. Here, we used the dissipative particle dynamics simulation method to predict the asymmetric phospholipid microstructures in aqueous solutions. The asymmetric phospholipid membranes, tubes and vesicles are determined and characterized by the chain density distributions and order parameters. The phase diagrams are constructed to evaluate the effects of the chain length on the asymmetric structure formations at equilibrium states, while the average radius of gyration and shape factors are calculated to analyze the asymmetric structure formations in the non-equilibrium processes. Meanwhile, we predicted the mechanical properties of the asymmetric membranes by analyzing the spatial distributions of the interface tensions and osmotic pressures in solutions. The Royal Society of Chemistry 2020-06-26 /pmc/articles/PMC9055179/ /pubmed/35516199 http://dx.doi.org/10.1039/d0ra03732j Text en This journal is © The Royal Society of Chemistry https://creativecommons.org/licenses/by/3.0/ |
spellingShingle | Chemistry Shan, Yue Ji, Yongyun Wang, Xianghong He, Linli Li, Shiben Predicting asymmetric phospholipid microstructures in solutions |
title | Predicting asymmetric phospholipid microstructures in solutions |
title_full | Predicting asymmetric phospholipid microstructures in solutions |
title_fullStr | Predicting asymmetric phospholipid microstructures in solutions |
title_full_unstemmed | Predicting asymmetric phospholipid microstructures in solutions |
title_short | Predicting asymmetric phospholipid microstructures in solutions |
title_sort | predicting asymmetric phospholipid microstructures in solutions |
topic | Chemistry |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055179/ https://www.ncbi.nlm.nih.gov/pubmed/35516199 http://dx.doi.org/10.1039/d0ra03732j |
work_keys_str_mv | AT shanyue predictingasymmetricphospholipidmicrostructuresinsolutions AT jiyongyun predictingasymmetricphospholipidmicrostructuresinsolutions AT wangxianghong predictingasymmetricphospholipidmicrostructuresinsolutions AT helinli predictingasymmetricphospholipidmicrostructuresinsolutions AT lishiben predictingasymmetricphospholipidmicrostructuresinsolutions |