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{"title"=>"Membrane Partitioning of Anionic, Ligand-Coated Nanoparticles Is Accompanied by Ligand Snorkeling, Local Disordering, and Cholesterol Depletion", "type"=>"journal", "authors"=>[{"first_name"=>"Paraskevi", "last_name"=>"Gkeka", "scopus_author_id"=>"26321096200"}, {"first_name"=>"Panagiotis", "last_name"=>"Angelikopoulos", "scopus_author_id"=>"25821851000"}, {"first_name"=>"Lev", "last_name"=>"Sarkisov", "scopus_author_id"=>"6602131087"}, {"first_name"=>"Zoe", "last_name"=>"Cournia", "scopus_author_id"=>"8987210100"}], "year"=>2014, "source"=>"PLoS Computational Biology", "identifiers"=>{"sgr"=>"84919623600", "pmid"=>"25474252", "isbn"=>"10.1371/journal.pcbi.1003917", "pui"=>"601020358", "issn"=>"15537358", "scopus"=>"2-s2.0-84919623600", "doi"=>"10.1371/journal.pcbi.1003917"}, "id"=>"249b3627-188c-354a-a652-02618c325a26", "abstract"=>"Intracellular uptake of nanoparticles (NPs) may induce phase transitions, restructuring, stretching, or even complete disruption of the cell membrane. Therefore, NP cytotoxicity assessment requires a thorough understanding of the mechanisms by which these engineered nanostructures interact with the cell membrane. In this study, extensive Coarse-Grained Molecular Dynamics (MD) simulations are performed to investigate the partitioning of an anionic, ligand-decorated NP in model membranes containing dipalmitoylphosphatidylcholine (DPPC) phospholipids and different concentrations of cholesterol. Spontaneous fusion and translocation of the anionic NP is not observed in any of the 10-µs unbiased MD simulations, indicating that longer timescales may be required for such phenomena to occur. This picture is supported by the free energy analysis, revealing a considerable free energy barrier for NP translocation across the lipid bilayer. 5-µs unbiased MD simulations with the NP inserted in the bilayer core reveal that the hydrophobic and hydrophilic ligands of the NP surface rearrange to form optimal contacts with the lipid bilayer, leading to the so-called snorkeling effect. Inside cholesterol-containing bilayers, the NP induces rearrangement of the structure of the lipid bilayer in its vicinity from the liquid-ordered to the liquid phase spanning a distance almost twice its core radius (8-10 nm). Based on the physical insights obtained in this study, we propose a mechanism of cellular anionic NP partitioning, which requires structural rearrangements of both the NP and the bilayer, and conclude that the translocation of anionic NPs through cholesterol-rich membranes must be accompanied by formation of cholesterol-lean regions in the proximity of NPs.", "link"=>"http://www.mendeley.com/research/membrane-partitioning-anionic-ligandcoated-nanoparticles-accompanied-ligand-snorkeling-local-disorde", "reader_count"=>39, "reader_count_by_academic_status"=>{"Unspecified"=>1, "Professor > Associate Professor"=>3, "Researcher"=>7, "Student > Doctoral Student"=>4, "Student > Ph. D. Student"=>11, "Student > Master"=>9, "Student > Bachelor"=>2, "Professor"=>2}, "reader_count_by_user_role"=>{"Unspecified"=>1, "Professor > Associate Professor"=>3, "Researcher"=>7, "Student > Doctoral Student"=>4, "Student > Ph. D. Student"=>11, "Student > Master"=>9, "Student > Bachelor"=>2, "Professor"=>2}, "reader_count_by_subject_area"=>{"Unspecified"=>4, "Engineering"=>3, "Environmental Science"=>1, "Biochemistry, Genetics and Molecular Biology"=>1, "Materials Science"=>2, "Agricultural and Biological Sciences"=>8, "Pharmacology, Toxicology and Pharmaceutical Science"=>1, "Physics and Astronomy"=>5, "Chemistry"=>12, "Computer Science"=>2}, "reader_count_by_subdiscipline"=>{"Engineering"=>{"Engineering"=>3}, "Materials Science"=>{"Materials Science"=>2}, "Chemistry"=>{"Chemistry"=>12}, "Physics and Astronomy"=>{"Physics and Astronomy"=>5}, "Agricultural and Biological Sciences"=>{"Agricultural and Biological Sciences"=>8}, "Computer Science"=>{"Computer Science"=>2}, "Biochemistry, Genetics and Molecular Biology"=>{"Biochemistry, Genetics and Molecular Biology"=>1}, "Unspecified"=>{"Unspecified"=>4}, "Environmental Science"=>{"Environmental Science"=>1}, "Pharmacology, Toxicology and Pharmaceutical Science"=>{"Pharmacology, Toxicology and Pharmaceutical Science"=>1}}, "reader_count_by_country"=>{"Czech Republic"=>1, "United States"=>2, "Italy"=>1}, "group_count"=>2}

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• http://doi.org/10.1039/C6NR05853A
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• http://doi.org/10.1038/s41467-020-19164-3

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• {"url"=>"http%3A%2F%2Fjournals.plos.org%2Fploscompbiol%2Farticle%3Fid%3D10.1371%252Fjournal.pcbi.1003917", "share_count"=>0, "like_count"=>0, "comment_count"=>0, "click_count"=>0, "total_count"=>0}

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• {"type"=>"COMMENT", "annotationUri"=>"info:doi/10.1371/annotation/06d83742-f4cf-4330-8d61-04aa404ad8b1", "title"=>"\"..engineered nanomaterials [.] are able to translocate across the cellular membrane\"", "body"=>"Sorry to offer a comment not so much on the paper, but on its context. From the author's summary:\n\n\"The increasing applications of nanotechnology in medicine rely on the fact that engineered nanomaterials, such as diagnostic and therapeutic nanoparticles, are able to translocate across the cellular membrane and reach their site of action without toxic effects.\"\n\nThis is repeated in a very large number of papers. However, it is an urban myth (or a science myth). Please provide one example of an existing medical application of nanotechnology that rely on nanoparticles translocating across the cellular membrane. \n\nEndocytosis remain the main mechanism of entry for nanoparticles into cells (leading to particle being constrained inside intracellular vesicles and therefore unable to reach cytosolic targets), and while there are multiple papers claiming direct entry, the evidence is often weak or indirect, and there is certainly no existing approved medical application based on this phenomenon.", "isRemoved"=>false, "created"=>"2014-12-11T09:35:58Z", "lastModified"=>"2014-12-11T09:35:58Z", "creator"=>{"userId"=>"454017"}, "highlightedText"=>"", "competingInterestStatement"=>{"creatorWasPrompted"=>true, "hasCompetingInterests"=>false}, "parentArticle"=>{"doi"=>"info:doi/10.1371/journal.pcbi.1003917", "state"=>"published", "journals"=>{"PLoSCompBiol"=>{"journalKey"=>"PLoSCompBiol", "eIssn"=>"1553-7358", "title"=>"PLOS Computational Biology"}}}, "replyTreeSize"=>1, "mostRecentActivity"=>"2014-12-11T13:20:56Z", "replies"=>[{"type"=>"REPLY", "parentID"=>84297, "annotationUri"=>"info:doi/10.1371/reply/b3a4dd0a-c139-475e-829d-9ad833bd9e36", "title"=>"RE: \"..engineered nanomaterials [.] are able to translocate across the cellular membrane\"", "body"=>"Dear Raphael,\n\nThanks for the comment. If you read our abstract sentence carefully, you will notice that we write \"...therapeutic nanoparticles, are able to translocate across the cellular membrane...\". Translocation is a general word in the context of reaching the intracellular environment and it does not tell us anything about the mechanism of translocation. Endocytosis is a specific mechanism of translocation across a membrane, whereas \"direct translocation\" is another mechanism, which is based on diffusion.\n\nI agree with you that currently there is very little evidence as to whether a NP could translocate directly across a cellular mechanism and this is exactly what we set out to investigate with CGMD simulations. You will notice from our computed free energy barrier that NP translocation in the case of 50% cholesterol, which is close to the concentration of cholesterol in dendritic cells (used in van Lehn et al etc), is too large and I postulate that direct translocation may not be the method of NP translocation in this specific systems. We are currently investigating other mechanisms that may be probable.", "isRemoved"=>false, "created"=>"2014-12-11T13:20:56Z", "lastModified"=>"2014-12-11T13:20:56Z", "creator"=>{"userId"=>"488038"}, "highlightedText"=>"", "competingInterestStatement"=>{"creatorWasPrompted"=>true, "hasCompetingInterests"=>false}, "parentArticle"=>{"doi"=>"info:doi/10.1371/journal.pcbi.1003917", "state"=>"published", "journals"=>{"PLoSCompBiol"=>{"journalKey"=>"PLoSCompBiol", "eIssn"=>"1553-7358", "title"=>"PLOS Computational Biology"}}}, "replyTreeSize"=>0, "mostRecentActivity"=>"2014-12-11T13:20:56Z", "replies"=>[]}]}
• {"type"=>"COMMENT", "annotationUri"=>"info:doi/10.1371/annotation/34f452fa-edc2-4e89-8e1b-94718b0f0c40", "title"=>"existence of the stripy nanoparticles", "body"=>"Thanks for mentioning Cesbron et al \"Stripy Nanoparticles Revisited\", ref 18\n\nFurther evidence that the stripy nanoparticles hypothesis relies on an experimental artefact was published just two weeks before the publication of your article. \n\nStirling et al\nCritical Assessment of the Evidence for Striped Nanoparticles\nhttp://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0108482", "isRemoved"=>false, "created"=>"2014-12-11T09:47:50Z", "lastModified"=>"2014-12-11T09:47:50Z", "creator"=>{"userId"=>"454017"}, "highlightedText"=>"", "competingInterestStatement"=>{"creatorWasPrompted"=>true, "hasCompetingInterests"=>true, "body"=>"Last author of ref 18, co-author of Stirling et al"}, "parentArticle"=>{"doi"=>"info:doi/10.1371/journal.pcbi.1003917", "state"=>"published", "journals"=>{"PLoSCompBiol"=>{"journalKey"=>"PLoSCompBiol", "eIssn"=>"1553-7358", "title"=>"PLOS Computational Biology"}}}, "replyTreeSize"=>0, "mostRecentActivity"=>"2014-12-11T09:47:50Z", "replies"=>[]}

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• {"id"=>"540755425935630336", "text"=>"#PLOSCompBio: Membrane Partitioning of Anionic, Ligand-Coated NPs Is Accompanied by Ligand Snorkeling, ... http://t.co/uoF7KjtJOF", "created_at"=>"2014-12-05T06:31:54Z", "user"=>"evi_gkeka", "user_name"=>"Evi", "user_profile_image"=>"http://pbs.twimg.com/profile_images/495547910017134593/i1v2GvPQ_normal.jpeg"}
• {"id"=>"540780813856407552", "text"=>"Our new article on Nanoparticle-membrane dynamics made it on the first page of @PLOSCompBiol @evi_gkeka @plos http://t.co/PfIHOdBwfj", "created_at"=>"2014-12-05T08:12:47Z", "user"=>"zoecournia", "user_name"=>"Zoe Cournia", "user_profile_image"=>"http://pbs.twimg.com/profile_images/1607541500/image_normal.jpg"}
• {"id"=>"540783183928000512", "text"=>"Membrane Partitioning of Anionic, Ligand-Coated #Nanoparticles http://t.co/PfIHOdBwfj @PLOSCompBiol @PLOS @evi_gkeka http://t.co/NoOEq5nhjd", "created_at"=>"2014-12-05T08:22:12Z", "user"=>"zoecournia", "user_name"=>"Zoe Cournia", "user_profile_image"=>"http://pbs.twimg.com/profile_images/1607541500/image_normal.jpg"}
• {"id"=>"540786012021354496", "text"=>"RT @zoecournia: Membrane Partitioning of Anionic, Ligand-Coated #Nanoparticles http://t.co/PfIHOdBwfj @PLOSCompBiol @PLOS @evi_gkeka http:/…", "created_at"=>"2014-12-05T08:33:27Z", "user"=>"evi_gkeka", "user_name"=>"Evi", "user_profile_image"=>"http://pbs.twimg.com/profile_images/495547910017134593/i1v2GvPQ_normal.jpeg"}
• {"id"=>"540808968147189761", "text"=>"RT @zoecournia: Membrane Partitioning of Anionic, Ligand-Coated #Nanoparticles http://t.co/PfIHOdBwfj @PLOSCompBiol @PLOS @evi_gkeka http:/…", "created_at"=>"2014-12-05T10:04:40Z", "user"=>"PLOSCompBiol", "user_name"=>"PLOS Comp Biol", "user_profile_image"=>"http://pbs.twimg.com/profile_images/2435436417/hg8nh61i55aibgx0hcvp_normal.jpeg"}
• {"id"=>"540816986800803840", "text"=>"RT @zoecournia: Our new article on Nanoparticle-membrane dynamics made it on the first page of @PLOSCompBiol @evi_gkeka @plos http://t.co/P…", "created_at"=>"2014-12-05T10:36:32Z", "user"=>"PLOSCompBiol", "user_name"=>"PLOS Comp Biol", "user_profile_image"=>"http://pbs.twimg.com/profile_images/2435436417/hg8nh61i55aibgx0hcvp_normal.jpeg"}
• {"id"=>"542976335891922944", "text"=>"RT @zoecournia: Membrane Partitioning of Anionic, Ligand-Coated #Nanoparticles http://t.co/PfIHOdBwfj @PLOSCompBiol @PLOS @evi_gkeka http:/…", "created_at"=>"2014-12-11T09:37:01Z", "user"=>"raphavisses", "user_name"=>"Raphael Levy", "user_profile_image"=>"http://pbs.twimg.com/profile_images/529014567871852544/KZL-zJc0_normal.jpeg"}
• {"id"=>"543060441019453440", "text"=>"Membrane Partitioning of Anionic, Ligand-Coated #Nanoparticles http://t.co/4hbKowQCHE @PLOSCompBiol @PLOS @evi_gkeka http://t.co/XWxk1D1peu", "created_at"=>"2014-12-11T15:11:13Z", "user"=>"everspectra", "user_name"=>"Daniel Eversole", "user_profile_image"=>"http://pbs.twimg.com/profile_images/2512245851/ztxaoyh0ie7jbj34r1wk_normal.jpeg"}

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• {"month"=>"10", "year"=>"2019", "pdf_views"=>"11", "xml_views"=>"0", "html_views"=>"12"}
• {"month"=>"11", "year"=>"2019", "pdf_views"=>"11", "xml_views"=>"0", "html_views"=>"8"}
• {"month"=>"12", "year"=>"2019", "pdf_views"=>"13", "xml_views"=>"1", "html_views"=>"14"}
• {"month"=>"1", "year"=>"2020", "pdf_views"=>"25", "xml_views"=>"1", "html_views"=>"25"}
• {"month"=>"2", "year"=>"2020", "pdf_views"=>"6", "xml_views"=>"1", "html_views"=>"8"}
• {"month"=>"3", "year"=>"2020", "pdf_views"=>"10", "xml_views"=>"1", "html_views"=>"21"}
• {"month"=>"4", "year"=>"2020", "pdf_views"=>"21", "xml_views"=>"0", "html_views"=>"19"}
• {"month"=>"5", "year"=>"2020", "pdf_views"=>"20", "xml_views"=>"0", "html_views"=>"19"}
• {"month"=>"6", "year"=>"2020", "pdf_views"=>"8", "xml_views"=>"0", "html_views"=>"12"}
• {"month"=>"7", "year"=>"2020", "pdf_views"=>"7", "xml_views"=>"1", "html_views"=>"12"}
• {"month"=>"8", "year"=>"2020", "pdf_views"=>"11", "xml_views"=>"1", "html_views"=>"16"}
• {"month"=>"9", "year"=>"2020", "pdf_views"=>"6", "xml_views"=>"0", "html_views"=>"12"}
• {"month"=>"10", "year"=>"2020", "pdf_views"=>"8", "xml_views"=>"1", "html_views"=>"9"}
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Figshare

• {"files"=>["https://ndownloader.figshare.com/files/1821779"], "description"=>"<p>The calculation was performed over the last 500 ns of the simulation for the different systems. The snapshots correspond to the final frame of the simulation and are depicted to indicate the relative position of the NP with respect to the lipid bilayer at the end of the simulation. White corresponds to zero density of the negatively-charged moieties, indicating the snorkeling effect, where charged-end terminal groups orient themselves towards the lipid head groups and outside of the bilayer core. A typical RGB color scale is used to show increasing occupancy. Only the NP core is shown for clarity. The coloring is the same as in <a href=\"http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1003917#pcbi-1003917-g001\" target=\"_blank\">Figure 1</a>.</p>", "links"=>[], "tags"=>["NP cytotoxicity assessment", "Cholesterol Depletion Intracellular uptake", "lipid bilayer", "cell membrane", "MD simulations", "dppc"], "article_id"=>1260320, "categories"=>["Uncategorised"], "users"=>["Paraskevi Gkeka", "Panagiotis Angelikopoulos", "Lev Sarkisov", "Zoe Cournia"], "doi"=>"https://dx.doi.org/10.1371/journal.pcbi.1003917.g002", "stats"=>{"downloads"=>1, "page_views"=>6, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Number_density_maps_of_the_negatively_charged_end_terminal_groups_of_the_NP_ligands_/1260320", "title"=>"Number density maps of the negatively charged end-terminal groups of the NP ligands.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-12-04 03:09:39"}
• {"files"=>["https://ndownloader.figshare.com/files/1821805"], "description"=>"<p>Normalized interaction energies of the NP with the different components of the system in KJ/mol.</p>", "links"=>[], "tags"=>["NP cytotoxicity assessment", "Cholesterol Depletion Intracellular uptake", "lipid bilayer", "cell membrane", "MD simulations", "dppc"], "article_id"=>1260346, "categories"=>["Uncategorised"], "users"=>["Paraskevi Gkeka", "Panagiotis Angelikopoulos", "Lev Sarkisov", "Zoe Cournia"], "doi"=>"https://dx.doi.org/10.1371/journal.pcbi.1003917.t001", "stats"=>{"downloads"=>1, "page_views"=>13, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Normalized_interaction_energies_of_the_NP_with_the_different_components_of_the_system_in_KJ_mol_/1260346", "title"=>"Normalized interaction energies of the NP with the different components of the system in KJ/mol.", "pos_in_sequence"=>0, "defined_type"=>3, "published_date"=>"2014-12-04 03:09:39"}
• {"files"=>["https://ndownloader.figshare.com/files/1821761"], "description"=>"<p>DPPC molecule (top, left), cholesterol molecule (bottom, left), nanoparticle simulated in the water phase (center), and nanoparticle simulated in a membrane containing 30% cholesterol (right) (final snapshots). The molecules or CG beads are not shown to scale. Colors: Negative beads bearing -1e charge = purple; hydrophobic beads = cyan; positive beads = blue; cholesterol hydroxyl bead = gray; glycerol backbone beads = white; cholesterol sterol body beads = lime. The core of the NP is shown in gray and surface representation, whereas the hydrophobic parts of NP surface ligands are shown in a bead-spring representation. Arrows indicate the tendency of the surface charged ligands to associate with the DPPC head groups and their hydrophobic parts to interact with the hydrophobic core, inducing a snorkeling effect.</p>", "links"=>[], "tags"=>["NP cytotoxicity assessment", "Cholesterol Depletion Intracellular uptake", "lipid bilayer", "cell membrane", "MD simulations", "dppc"], "article_id"=>1260304, "categories"=>["Uncategorised"], "users"=>["Paraskevi Gkeka", "Panagiotis Angelikopoulos", "Lev Sarkisov", "Zoe Cournia"], "doi"=>"https://dx.doi.org/10.1371/journal.pcbi.1003917.g001", "stats"=>{"downloads"=>0, "page_views"=>18, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Coarse_grained_models_of_the_system_components_/1260304", "title"=>"Coarse-grained models of the system components.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-12-04 03:09:39"}
• {"files"=>["https://ndownloader.figshare.com/files/1824707", "https://ndownloader.figshare.com/files/1824713"], "description"=>"<div><p>Intracellular uptake of nanoparticles (NPs) may induce phase transitions, restructuring, stretching, or even complete disruption of the cell membrane. Therefore, NP cytotoxicity assessment requires a thorough understanding of the mechanisms by which these engineered nanostructures interact with the cell membrane. In this study, extensive Coarse-Grained Molecular Dynamics (MD) simulations are performed to investigate the partitioning of an anionic, ligand-decorated NP in model membranes containing dipalmitoylphosphatidylcholine (DPPC) phospholipids and different concentrations of cholesterol. Spontaneous fusion and translocation of the anionic NP is not observed in any of the 10-µs unbiased MD simulations, indicating that longer timescales may be required for such phenomena to occur. This picture is supported by the free energy analysis, revealing a considerable free energy barrier for NP translocation across the lipid bilayer. 5-µs unbiased MD simulations with the NP inserted in the bilayer core reveal that the hydrophobic and hydrophilic ligands of the NP surface rearrange to form optimal contacts with the lipid bilayer, leading to the so-called snorkeling effect. Inside cholesterol-containing bilayers, the NP induces rearrangement of the structure of the lipid bilayer in its vicinity from the liquid-ordered to the liquid phase spanning a distance almost twice its core radius (8–10 nm). Based on the physical insights obtained in this study, we propose a mechanism of cellular anionic NPpartitioning, which requires structural rearrangements of both the NP and the bilayer, and conclude that the translocation of anionic NPs through cholesterol-rich membranes must be accompanied by formation of cholesterol-lean regions in the proximity of NPs.</p></div>", "links"=>[], "tags"=>["NP cytotoxicity assessment", "Cholesterol Depletion Intracellular uptake", "lipid bilayer", "cell membrane", "MD simulations", "dppc"], "article_id"=>1261591, "categories"=>["Uncategorised"], "users"=>["Paraskevi Gkeka", "Panagiotis Angelikopoulos", "Lev Sarkisov", "Zoe Cournia"], "doi"=>["https://dx.doi.org/10.1371/journal.pcbi.1003917.s001", "https://dx.doi.org/10.1371/journal.pcbi.1003917.s002"], "stats"=>{"downloads"=>1, "page_views"=>20, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Membrane_Partitioning_of_Anionic_Ligand_Coated_Nanoparticles_Is_Accompanied_by_Ligand_Snorkeling_Local_Disordering_and_Cholesterol_Depletion_/1261591", "title"=>"Membrane Partitioning of Anionic, Ligand-Coated Nanoparticles Is Accompanied by Ligand Snorkeling, Local Disordering, and Cholesterol Depletion", "pos_in_sequence"=>0, "defined_type"=>4, "published_date"=>"2014-12-04 15:02:13"}
• {"files"=>["https://ndownloader.figshare.com/files/1821802"], "description"=>"<p>Bilayer thickness, defined as the distance between phosphate groups (PO4) of different bilayer leaflets, for different cholesterol concentrations as a function of the distance from the NP-center of mass.</p>", "links"=>[], "tags"=>["NP cytotoxicity assessment", "Cholesterol Depletion Intracellular uptake", "lipid bilayer", "cell membrane", "MD simulations", "dppc"], "article_id"=>1260344, "categories"=>["Uncategorised"], "users"=>["Paraskevi Gkeka", "Panagiotis Angelikopoulos", "Lev Sarkisov", "Zoe Cournia"], "doi"=>"https://dx.doi.org/10.1371/journal.pcbi.1003917.g006", "stats"=>{"downloads"=>3, "page_views"=>35, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Bilayer_thickness_defined_as_the_distance_between_phosphate_groups_PO4_of_different_bilayer_leaflets_for_different_cholesterol_concentrations_as_a_function_of_the_distance_from_the_NP_center_of_mass_/1260344", "title"=>"Bilayer thickness, defined as the distance between phosphate groups (PO4) of different bilayer leaflets, for different cholesterol concentrations as a function of the distance from the NP-center of mass.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-12-04 03:09:39"}
• {"files"=>["https://ndownloader.figshare.com/files/1821801"], "description"=>"<p>The concentration values as a function of the distance from the NP center of mass, c(d), are normalized with respect to the bulk values, c_bulk.</p>", "links"=>[], "tags"=>["NP cytotoxicity assessment", "Cholesterol Depletion Intracellular uptake", "lipid bilayer", "cell membrane", "MD simulations", "dppc"], "article_id"=>1260342, "categories"=>["Uncategorised"], "users"=>["Paraskevi Gkeka", "Panagiotis Angelikopoulos", "Lev Sarkisov", "Zoe Cournia"], "doi"=>"https://dx.doi.org/10.1371/journal.pcbi.1003917.g005", "stats"=>{"downloads"=>1, "page_views"=>12, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_2D_Radial_concentration_of_DPPC_and_CHOL_from_the_NP_center_of_mass_/1260342", "title"=>"2D Radial concentration of DPPC and CHOL from the NP center of mass.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-12-04 03:09:39"}
• {"files"=>["https://ndownloader.figshare.com/files/1821798"], "description"=>"<p>The characteristic values P₂ order parameter for various bilayer phases are demarcated in the color bar on the right <a href=\"http://www.ploscompbiol.org/article/info:doi/10.1371/journal.pcbi.1003917#pcbi.1003917-Waheed1\" target=\"_blank\">[35]</a>. The different box sizes are due to the gradual condensing effect of cholesterol on the bilayer.</p>", "links"=>[], "tags"=>["NP cytotoxicity assessment", "Cholesterol Depletion Intracellular uptake", "lipid bilayer", "cell membrane", "MD simulations", "dppc"], "article_id"=>1260339, "categories"=>["Uncategorised"], "users"=>["Paraskevi Gkeka", "Panagiotis Angelikopoulos", "Lev Sarkisov", "Zoe Cournia"], "doi"=>"https://dx.doi.org/10.1371/journal.pcbi.1003917.g004", "stats"=>{"downloads"=>1, "page_views"=>8, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_Spatially_averaged_lipid_order_parameters_for_bilayer_systems_with_different_cholesterol_concentrations_/1260339", "title"=>"Spatially averaged lipid order parameters for bilayer systems with different cholesterol concentrations.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-12-04 03:09:39"}
• {"files"=>["https://ndownloader.figshare.com/files/1821783"], "description"=>"<p>The error bars represent standard deviations from two independent sets of Umbrella sampling calculations using the bootstrapping technique. Detailed analysis of the PMF convergence is provided in Text S1.</p>", "links"=>[], "tags"=>["NP cytotoxicity assessment", "Cholesterol Depletion Intracellular uptake", "lipid bilayer", "cell membrane", "MD simulations", "dppc"], "article_id"=>1260324, "categories"=>["Uncategorised"], "users"=>["Paraskevi Gkeka", "Panagiotis Angelikopoulos", "Lev Sarkisov", "Zoe Cournia"], "doi"=>"https://dx.doi.org/10.1371/journal.pcbi.1003917.g003", "stats"=>{"downloads"=>1, "page_views"=>20, "likes"=>0}, "figshare_url"=>"https://figshare.com/articles/_PMF_for_NP_partitioning_in_a_cholesterol_free_DPPC_lipid_bilayer_/1260324", "title"=>"PMF for NP partitioning in a cholesterol-free DPPC lipid bilayer.", "pos_in_sequence"=>0, "defined_type"=>1, "published_date"=>"2014-12-04 03:09:39"}

PMC Usage Stats | Further Information

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• {"unique-ip"=>"22", "full-text"=>"25", "pdf"=>"8", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"6", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2015", "month"=>"7"}
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• {"unique-ip"=>"3", "full-text"=>"4", "pdf"=>"2", "abstract"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2018", "month"=>"3"}
• {"unique-ip"=>"3", "full-text"=>"3", "pdf"=>"1", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2019", "month"=>"1"}
• {"unique-ip"=>"4", "full-text"=>"4", "pdf"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2018", "month"=>"4"}
• {"unique-ip"=>"3", "full-text"=>"1", "pdf"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"2", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2018", "month"=>"5"}
• {"unique-ip"=>"4", "full-text"=>"2", "pdf"=>"2", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2018", "month"=>"6"}
• {"unique-ip"=>"3", "full-text"=>"2", "pdf"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"1", "cited-by"=>"0", "year"=>"2018", "month"=>"7"}
• {"unique-ip"=>"1", "full-text"=>"1", "pdf"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2018", "month"=>"8"}
• {"unique-ip"=>"2", "full-text"=>"4", "pdf"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2018", "month"=>"10"}
• {"unique-ip"=>"4", "full-text"=>"3", "pdf"=>"1", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"1", "cited-by"=>"0", "year"=>"2018", "month"=>"11"}
• {"unique-ip"=>"7", "full-text"=>"8", "pdf"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2018", "month"=>"12"}
• {"unique-ip"=>"3", "full-text"=>"3", "pdf"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2019", "month"=>"2"}
• {"unique-ip"=>"2", "full-text"=>"1", "pdf"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2019", "month"=>"3"}
• {"unique-ip"=>"5", "full-text"=>"4", "pdf"=>"2", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"1", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2019", "month"=>"4"}
• {"unique-ip"=>"6", "full-text"=>"8", "pdf"=>"2", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"1", "cited-by"=>"0", "year"=>"2019", "month"=>"5"}
• {"unique-ip"=>"1", "full-text"=>"1", "pdf"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2019", "month"=>"8"}
• {"unique-ip"=>"3", "full-text"=>"1", "pdf"=>"2", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2019", "month"=>"9"}
• {"unique-ip"=>"5", "full-text"=>"5", "pdf"=>"2", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2019", "month"=>"10"}
• {"unique-ip"=>"10", "full-text"=>"3", "pdf"=>"8", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2019", "month"=>"12"}
• {"unique-ip"=>"3", "full-text"=>"2", "pdf"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"2", "year"=>"2020", "month"=>"2"}
• {"unique-ip"=>"6", "full-text"=>"4", "pdf"=>"4", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2020", "month"=>"3"}
• {"unique-ip"=>"1", "full-text"=>"1", "pdf"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2020", "month"=>"4"}
• {"unique-ip"=>"4", "full-text"=>"4", "pdf"=>"1", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2020", "month"=>"5"}
• {"unique-ip"=>"2", "full-text"=>"1", "pdf"=>"1", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2020", "month"=>"6"}
• {"unique-ip"=>"9", "full-text"=>"9", "pdf"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"1", "cited-by"=>"0", "year"=>"2020", "month"=>"7"}
• {"unique-ip"=>"2", "full-text"=>"2", "pdf"=>"0", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2020", "month"=>"8"}
• {"unique-ip"=>"4", "full-text"=>"4", "pdf"=>"1", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2020", "month"=>"9"}
• {"unique-ip"=>"5", "full-text"=>"4", "pdf"=>"2", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2020", "month"=>"10"}
• {"unique-ip"=>"2", "full-text"=>"1", "pdf"=>"2", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2020", "month"=>"11"}
• {"unique-ip"=>"1", "full-text"=>"0", "pdf"=>"1", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2020", "month"=>"12"}
• {"unique-ip"=>"3", "full-text"=>"2", "pdf"=>"1", "scanned-summary"=>"0", "scanned-page-browse"=>"0", "figure"=>"0", "supp-data"=>"0", "cited-by"=>"0", "year"=>"2021", "month"=>"1"}

Relative Metric

{"start_date"=>"2014-01-01T00:00:00Z", "end_date"=>"2014-12-31T00:00:00Z", "subject_areas"=>[]}

F1000Prime