{"id":"https://openalex.org/W2967182049","doi":"https://doi.org/10.3390/sym11081048","title":"Docking of Polyethylenimines Derivatives on Cube Rhombellane Functionalized Homeomorphs","display_name":"Docking of Polyethylenimines Derivatives on Cube Rhombellane Functionalized Homeomorphs","publication_year":2019,"publication_date":"2019-08-14","ids":{"openalex":"https://openalex.org/W2967182049","doi":"https://doi.org/10.3390/sym11081048","mag":"2967182049"},"language":"en","primary_location":{"id":"doi:10.3390/sym11081048","is_oa":true,"landing_page_url":"https://doi.org/10.3390/sym11081048","pdf_url":"https://www.mdpi.com/2073-8994/11/8/1048/pdf?version=1565777032","source":{"id":"https://openalex.org/S190787756","display_name":"Symmetry","issn_l":"2073-8994","issn":["2073-8994"],"is_oa":true,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Symmetry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2073-8994/11/8/1048/pdf?version=1565777032","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5020187585","display_name":"Beata Szefler","orcid":"https://orcid.org/0000-0001-8433-3520"},"institutions":[{"id":"https://openalex.org/I3019271933","display_name":"Nicolaus Copernicus University","ror":"https://ror.org/0102mm775","country_code":"PL","type":"education","lineage":["https://openalex.org/I3019271933"]}],"countries":["PL"],"is_corresponding":true,"raw_author_name":"Beata Szefler","raw_affiliation_strings":["Department of Physical Chemistry, Faculty of Pharmacy, Collegium Medicum, Nicolaus Copernicus University, Kurpi\u0144skiego 5, 85-096 Bydgoszcz, Poland"],"raw_orcid":"https://orcid.org/0000-0001-8433-3520","affiliations":[{"raw_affiliation_string":"Department of Physical Chemistry, Faculty of Pharmacy, Collegium Medicum, Nicolaus Copernicus University, Kurpi\u0144skiego 5, 85-096 Bydgoszcz, Poland","institution_ids":["https://openalex.org/I3019271933"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5031969122","display_name":"Przemys\u0142aw Czele\u0144","orcid":"https://orcid.org/0000-0001-7268-4956"},"institutions":[{"id":"https://openalex.org/I3019271933","display_name":"Nicolaus Copernicus University","ror":"https://ror.org/0102mm775","country_code":"PL","type":"education","lineage":["https://openalex.org/I3019271933"]}],"countries":["PL"],"is_corresponding":false,"raw_author_name":"Przemys\u0142aw Czele\u0144","raw_affiliation_strings":["Department of Physical Chemistry, Faculty of Pharmacy, Collegium Medicum, Nicolaus Copernicus University, Kurpi\u0144skiego 5, 85-096 Bydgoszcz, Poland"],"raw_orcid":"https://orcid.org/0000-0001-7268-4956","affiliations":[{"raw_affiliation_string":"Department of Physical Chemistry, Faculty of Pharmacy, Collegium Medicum, Nicolaus Copernicus University, Kurpi\u0144skiego 5, 85-096 Bydgoszcz, Poland","institution_ids":["https://openalex.org/I3019271933"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5020187585"],"corresponding_institution_ids":["https://openalex.org/I3019271933"],"apc_list":{"value":2000,"currency":"CHF","value_usd":2165},"apc_paid":{"value":2000,"currency":"CHF","value_usd":2165},"fwci":0.3356,"has_fulltext":true,"cited_by_count":4,"citation_normalized_percentile":{"value":0.53480025,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"11","issue":"8","first_page":"1048","last_page":"1048"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10956","display_name":"Fullerene Chemistry and Applications","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10956","display_name":"Fullerene Chemistry and Applications","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10083","display_name":"Graphene research and applications","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10074","display_name":"Carbon Nanotubes in Composites","score":0.9973999857902527,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/fullerene","display_name":"Fullerene","score":0.7404993772506714},{"id":"https://openalex.org/keywords/nanocarriers","display_name":"Nanocarriers","score":0.7139552235603333},{"id":"https://openalex.org/keywords/hydrogen-bond","display_name":"Hydrogen bond","score":0.6751035451889038},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.5711115002632141},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.5658948421478271},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.5458850860595703},{"id":"https://openalex.org/keywords/binding-energy","display_name":"Binding energy","score":0.519556999206543},{"id":"https://openalex.org/keywords/nanoparticle","display_name":"Nanoparticle","score":0.4850165545940399},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.4501511752605438},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.44643908739089966},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.4361932873725891},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.4084889888763428},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.3818769156932831},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.19066748023033142}],"concepts":[{"id":"https://openalex.org/C162862793","wikidata":"https://www.wikidata.org/wiki/Q178026","display_name":"Fullerene","level":2,"score":0.7404993772506714},{"id":"https://openalex.org/C18150654","wikidata":"https://www.wikidata.org/wiki/Q17153796","display_name":"Nanocarriers","level":3,"score":0.7139552235603333},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.6751035451889038},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.5711115002632141},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5658948421478271},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5458850860595703},{"id":"https://openalex.org/C93282013","wikidata":"https://www.wikidata.org/wiki/Q420754","display_name":"Binding energy","level":2,"score":0.519556999206543},{"id":"https://openalex.org/C155672457","wikidata":"https://www.wikidata.org/wiki/Q61231","display_name":"Nanoparticle","level":2,"score":0.4850165545940399},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4501511752605438},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.44643908739089966},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.4361932873725891},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.4084889888763428},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.3818769156932831},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.19066748023033142},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C185544564","wikidata":"https://www.wikidata.org/wiki/Q81197","display_name":"Nuclear physics","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.3390/sym11081048","is_oa":true,"landing_page_url":"https://doi.org/10.3390/sym11081048","pdf_url":"https://www.mdpi.com/2073-8994/11/8/1048/pdf?version=1565777032","source":{"id":"https://openalex.org/S190787756","display_name":"Symmetry","issn_l":"2073-8994","issn":["2073-8994"],"is_oa":true,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Symmetry","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:15a927f5870a4aefa72e50f457b90df0","is_oa":true,"landing_page_url":"https://doaj.org/article/15a927f5870a4aefa72e50f457b90df0","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Symmetry, Vol 11, Iss 8, p 1048 (2019)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.3390/sym11081048","is_oa":true,"landing_page_url":"https://doi.org/10.3390/sym11081048","pdf_url":"https://www.mdpi.com/2073-8994/11/8/1048/pdf?version=1565777032","source":{"id":"https://openalex.org/S190787756","display_name":"Symmetry","issn_l":"2073-8994","issn":["2073-8994"],"is_oa":true,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Symmetry","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.8600000143051147,"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320326815","display_name":"Infrastruktura PL-Grid","ror":null}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2967182049.pdf","grobid_xml":"https://content.openalex.org/works/W2967182049.grobid-xml"},"referenced_works_count":36,"referenced_works":["https://openalex.org/W1817027747","https://openalex.org/W1979431970","https://openalex.org/W1995956587","https://openalex.org/W2022650937","https://openalex.org/W2029667189","https://openalex.org/W2036578811","https://openalex.org/W2050492831","https://openalex.org/W2053248916","https://openalex.org/W2061097993","https://openalex.org/W2062845058","https://openalex.org/W2063908367","https://openalex.org/W2068975370","https://openalex.org/W2071588921","https://openalex.org/W2104410565","https://openalex.org/W2134967712","https://openalex.org/W2341929416","https://openalex.org/W2345111582","https://openalex.org/W2501026204","https://openalex.org/W2542683701","https://openalex.org/W2580382404","https://openalex.org/W2647398090","https://openalex.org/W2774045803","https://openalex.org/W2808525875","https://openalex.org/W2885605641","https://openalex.org/W2894910016","https://openalex.org/W2942331147","https://openalex.org/W2954637356","https://openalex.org/W2959638630","https://openalex.org/W2966192805","https://openalex.org/W2966218244","https://openalex.org/W3193469985","https://openalex.org/W4252743587","https://openalex.org/W6638674934","https://openalex.org/W6675490197","https://openalex.org/W6732543719","https://openalex.org/W6753796330"],"related_works":["https://openalex.org/W4366721369","https://openalex.org/W3126369458","https://openalex.org/W2895282589","https://openalex.org/W4386456777","https://openalex.org/W4311202961","https://openalex.org/W4387534949","https://openalex.org/W4306391223","https://openalex.org/W3032807122","https://openalex.org/W4205459909","https://openalex.org/W2903956246"],"abstract_inverted_index":{"Nowadays,":[0],"in":[1],"the":[2,45,51,64,70,73,82,86,92,95,102,105,118,124,154,156,158,160,163,165,169,171,195,209,214,219,225],"world":[3],"of":[4,53,85,94,107,114,120,128,131,175,182,202,211,213,227],"science,":[5],"an":[6],"important":[7,79],"goal":[8],"is":[9,91],"to":[10,37,137,218],"create":[11],"new":[12],"nanostructures":[13],"that":[14,153,208],"may":[15],"act":[16],"as":[17,40],"potential":[18],"drug":[19],"carriers.":[20],"Among":[21],"different,":[22],"real":[23],"or":[24],"hypothetical,":[25],"polymeric":[26],"networks,":[27],"rhombellanes":[28,220],"are":[29,222],"very":[30],"promising":[31],"and,":[32],"therefore,":[33],"attempts":[34],"were":[35,76,189],"made":[36],"deposit":[38],"polyethylenimines":[39],"possible":[41],"nano-drug":[42],"complexes":[43,193],"on":[44,104,117],"cube":[46],"rhombellane":[47],"homeomorphs":[48],"surface.":[49],"For":[50],"search":[52],"ligand\u2013fullerene":[54,192],"interactions,":[55],"was":[56,67,144,150],"used":[57],"AutoDockVina":[58],"software.":[59],"As":[60],"a":[61],"reference":[62],"structure,":[63],"fullerene":[65],"C60":[66,138],"used.":[68],"After":[69],"docking":[71,206],"procedure,":[72],"ligands\u2013fullerenes":[74],"interactions":[75],"tested.":[77],"The":[78,140,184],"factor":[80],"determining":[81],"mutual":[83],"affinity":[84,212],"tested":[87],"ligands":[88,176,217],"and":[89,112,134,168],"nanocarriers":[90],"symmetry":[93],"analyzed":[96],"nanostructures.":[97],"Here,":[98],"this":[99],"feature":[100],"has":[101],"influence":[103],"distribution":[106],"such":[108],"groups":[109],"like":[110],"donors":[111],"acceptors":[113],"hydrogen":[115,228],"bonds":[116,229],"surface":[119,221],"nanoparticles.":[121,183],"We":[122],"calculated":[123],"best":[125,141],"binding":[126,132,142,161,197],"affinities":[127],"ligands,":[129],"values":[130,210],"constants":[133],"differences":[135],"relative":[136],"molecules.":[139],"efficiency":[143],"found":[145,152],"for":[146,191],"linear":[147],"ligands.":[148],"It":[149],"also":[151],"shorter":[155],"molecule,":[157],"better":[159],"performance,":[162],"more":[164],"particle":[166],"grows":[167],"lower":[170],"yield.":[172],"Small":[173],"structures":[174,181],"react":[177],"easily":[178],"with":[179,224],"small":[180],"highest":[185,196],"positive":[186],"percentage":[187],"deviations":[188],"obtained":[190],"showing":[194],"energy":[198],"values.":[199],"Detailed":[200],"analysis":[201],"structural":[203],"properties":[204],"after":[205],"showed":[207],"studied":[215],"indolizine":[216],"correlated":[223],"strength/length":[226],"formed":[230],"between":[231],"them.":[232]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1}],"updated_date":"2026-05-06T08:25:59.206177","created_date":"2025-10-10T00:00:00"}