{"doi":"10.3390/biom13091359","title":"Self-Assembly of Lipid Molecules under Shear Flows: A Dissipative Particle Dynamics Simulation Study","abstract":"<jats:p>The self-assembly of lipid molecules in aqueous solution under shear flows was investigated using the dissipative particle dynamics simulation method. Three cases were considered: zero shear flow, weak shear flow and strong shear flow. Various self-assembled structures, such as double layers, perforated double layers, hierarchical discs, micelles, and vesicles, were observed. The self-assembly behavior was investigated in equilibrium by constructing phase diagrams based on chain lengths. Results showed the remarkable influence of chain length, shear flow and solution concentration on the self-assembly process. Furthermore, the self-assembly behavior of lipid molecules was analyzed using the system energy, particle number and shape factor during the dynamic processes, where the self-assembly pathways were observed and analyzed for the typical structures. The results enhance our understanding of biomacromolecule self-assembly in a solution and hold the potential for applications in biomedicine.</jats:p>","journal":"Biomolecules","year":2023,"id":688541,"datarank":0.16479184330021646,"base_score":1.0986122886681096,"endowment":1.0986122886681096,"self_citation_contribution":0.16479184330021646,"citation_network_contribution":0.0,"self_endowment_contribution":0.16479184330021646,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":2,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":107271,"name":"Fan Pan","orcid":"0000-0002-4187-5095","position":1,"is_corresponding":false},{"id":1798806,"name":"Shiben Li","orcid":"0000-0001-7455-3482","position":2,"is_corresponding":false},{"id":396741,"name":"Huan Zhang","orcid":"0000-0002-1096-4255","position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"Self-Assembly of Lipid Molecules under Shear Flows: A Dissipative Particle Dynamics Simulation Study","abstract":"<jats:p>The self-assembly of lipid molecules in aqueous solution under shear flows was investigated using the dissipative particle dynamics simulation method. Three cases were considered: zero shear flow, weak shear flow and strong shear flow. Various self-assembled structures, such as double layers, perforated double layers, hierarchical discs, micelles, and vesicles, were observed. The self-assembly behavior was investigated in equilibrium by constructing phase diagrams based on chain lengths. Results showed the remarkable influence of chain length, shear flow and solution concentration on the self-assembly process. Furthermore, the self-assembly behavior of lipid molecules was analyzed using the system energy, particle number and shape factor during the dynamic processes, where the self-assembly pathways were observed and analyzed for the typical structures. The results enhance our understanding of biomacromolecule self-assembly in a solution and hold the potential for applications in biomedicine.</jats:p>","is_dataset_classified":null,"base_score":1.0986122886681096,"endowment":1.0986122886681096,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"37759759","pmcid":null,"openalex_id":"https://openalex.org/W4386498716","authors":[],"funders":[{"funder_name":"National Natural Science Foundation of China","grant_id":"21973070","title":null}],"total_grants":1,"fwci":0.1819,"citation_percentile":0.45946612,"influential_citations":0,"citation_trend":[{"year":2024,"count":1},{"year":2025,"count":1}],"oa_status":"gold","license":"cc-by","oa_locations":[{"url":"https://doi.org/10.3390/biom13091359","host_type":"journal"},{"url":"https://doi.org/10.3390/biom13091359","host_type":"publisher"},{"url":"https://www.mdpi.com/2218-273X/13/9/1359/pdf","host_type":"publisher"},{"url":"https://pubmed.ncbi.nlm.nih.gov/37759759","host_type":"repository"},{"url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10526246","host_type":"repository"},{"url":"https://doaj.org/article/2219b6c1683f466f954a4269b00f944f","host_type":"repository"}],"fields_of_study":["Lipid Membrane Structure and Behavior","Surfactants and Colloidal Systems","Rheology and Fluid Dynamics Studies","Micelles","Lipids"],"mesh_terms":["Lipids","Micelles"],"keywords":["Dissipative particle dynamics","Shear flow","Self-assembly","Materials science","Micelle","Shear (geology)","Molecular dynamics","Chemical physics","Molecule","Particle (ecology)","Shear rate","Mechanics","Nanotechnology","Aqueous solution","Chemistry","Rheology","Physics","Computational chemistry","Composite material","Physical chemistry","dynamics process","lipid molecules","phase diagrams"],"sdg_mappings":[{"sdg_number":0,"sdg_label":"Clean water and sanitation"}],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-08-19T17:15:12.007138Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}