{"id":"https://openalex.org/W1975259606","doi":"https://doi.org/10.1002/jps.2600800409","title":"Ab Initio Investigation of Interactions between Models of Membrane-Active Compounds and Polar Groups of Membranes: Complexes Involving Amine, Ether, Amide, Phosphate, and Carboxylate","display_name":"Ab Initio Investigation of Interactions between Models of Membrane-Active Compounds and Polar Groups of Membranes: Complexes Involving Amine, Ether, Amide, Phosphate, and Carboxylate","publication_year":1991,"publication_date":"1991-04-01","ids":{"openalex":"https://openalex.org/W1975259606","doi":"https://doi.org/10.1002/jps.2600800409","mag":"1975259606","pmid":"https://pubmed.ncbi.nlm.nih.gov/1650822"},"language":"en","primary_location":{"id":"doi:10.1002/jps.2600800409","doi":"https://doi.org/10.1002/jps.2600800409","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jps.2600800409","pdf_url":null,"source":{"id":"https://openalex.org/S130661733","display_name":"Journal of Pharmaceutical Sciences","issn_l":"0022-3549","issn":["0022-3549","1520-6017"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","doyens","jufo-2","ki-jl-2","medline","norway-2","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Pharmaceutical Sciences","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5078574626","display_name":"Milan Remko","orcid":"https://orcid.org/0000-0003-1084-2597","observed_orcids":["https://orcid.org/0000-0003-1084-2597"]},"institutions":[{"id":"https://openalex.org/I74788687","display_name":"Comenius University Bratislava","ror":"https://ror.org/0587ef340","country_code":"SK","type":"education","lineage":["https://openalex.org/I74788687"]}],"countries":["SK"],"is_corresponding":false,"raw_author_name":"Milan Remko","raw_affiliation_strings":["Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Comenius University, Czechoslovakia","Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Comenius University, 83232 Bratislava, Czechoslovakia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Comenius University, Czechoslovakia","institution_ids":["https://openalex.org/I74788687"]},{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Comenius University, 83232 Bratislava, Czechoslovakia","institution_ids":["https://openalex.org/I74788687"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5085422555","display_name":"Steve Scheiner","orcid":"https://orcid.org/0000-0003-0793-0369","observed_orcids":["https://orcid.org/0000-0003-0793-0369"]},"institutions":[{"id":"https://openalex.org/I110378019","display_name":"Southern Illinois University Carbondale","ror":"https://ror.org/049kefs16","country_code":"US","type":"education","lineage":["https://openalex.org/I110378019","https://openalex.org/I2801502357"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Steve Scheiner","raw_affiliation_strings":["Department of Chemistry and Biochemistry, Southern Illinois University, Carbondale, IL 62901"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry and Biochemistry, Southern Illinois University, Carbondale, IL 62901","institution_ids":["https://openalex.org/I110378019"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3620,"currency":"USD","value_usd":3620},"apc_paid":null,"fwci":0.9429,"has_fulltext":false,"cited_by_count":13,"citation_normalized_percentile":{"value":0.64887511,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":93},"biblio":{"volume":"80","issue":"4","first_page":"328","last_page":"332"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.3425000011920929,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T10798","display_name":"Crystallography and molecular interactions","score":0.3425000011920929,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical 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/T10211","display_name":"Computational Drug Discovery Methods","score":0.22470000386238098,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10407","display_name":"Lipid Membrane Structure and Behavior","score":0.21580000221729279,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/antiarrhythmic-drugs","display_name":"antiarrhythmic drugs","score":0.8830000162124634},{"id":"https://openalex.org/keywords/mexiletine","display_name":"mexiletine","score":0.8989999890327454},{"id":"https://openalex.org/keywords/tocainide","display_name":"tocainide","score":1.0},{"id":"https://openalex.org/keywords/drug-membrane-interactions","display_name":"drug-membrane interactions","score":0.9150000214576721},{"id":"https://openalex.org/keywords/hydrogen-bonding","display_name":"hydrogen bonding","score":0.7200000286102295},{"id":"https://openalex.org/keywords/proton-transfer","display_name":"proton transfer","score":0.9929999709129333},{"id":"https://openalex.org/keywords/formate-anion","display_name":"formate anion","score":0.871999979019165},{"id":"https://openalex.org/keywords/phosphate-anions","display_name":"phosphate anions","score":0.9950000047683716},{"id":"https://openalex.org/keywords/amide-groups","display_name":"amide groups","score":0.5410000085830688},{"id":"https://openalex.org/keywords/ether-groups","display_name":"ether groups","score":0.984000027179718},{"id":"https://openalex.org/keywords/carboxylate-groups","display_name":"carboxylate groups","score":0.8199999928474426},{"id":"https://openalex.org/keywords/hydration-effects","display_name":"hydration effects","score":0.7720000147819519}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8987875580787659},{"id":"https://openalex.org/C2778969155","wikidata":"https://www.wikidata.org/wiki/Q409304","display_name":"Methylamine","level":2,"score":0.7973313331604004},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.6644482612609863},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.576850175857544},{"id":"https://openalex.org/C2778270854","wikidata":"https://www.wikidata.org/wiki/Q283917","display_name":"Formamide","level":2,"score":0.5554062724113464},{"id":"https://openalex.org/C30095370","wikidata":"https://www.wikidata.org/wiki/Q899488","display_name":"Protonation","level":3,"score":0.5502408742904663},{"id":"https://openalex.org/C131779359","wikidata":"https://www.wikidata.org/wiki/Q471875","display_name":"Amine gas treating","level":2,"score":0.5452895164489746},{"id":"https://openalex.org/C2780178953","wikidata":"https://www.wikidata.org/wiki/Q2001841","display_name":"Formate","level":3,"score":0.5034751296043396},{"id":"https://openalex.org/C2778439535","wikidata":"https://www.wikidata.org/wiki/Q188777","display_name":"Amide","level":2,"score":0.48546937108039856},{"id":"https://openalex.org/C2780407432","wikidata":"https://www.wikidata.org/wiki/Q103230","display_name":"Ether","level":2,"score":0.4598541855812073},{"id":"https://openalex.org/C41625074","wikidata":"https://www.wikidata.org/wiki/Q176088","display_name":"Membrane","level":2,"score":0.459117591381073},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3656781017780304},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.18199336528778076},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.17810118198394775},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.17079320549964905},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.06920385360717773},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000577","descriptor_name":"Amides","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000588","descriptor_name":"Amines","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000889","descriptor_name":"Anti-Arrhythmia Agents","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D000889","descriptor_name":"Anti-Arrhythmia Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002264","descriptor_name":"Carboxylic Acids","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004987","descriptor_name":"Ethers","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008566","descriptor_name":"Membranes","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D008566","descriptor_name":"Membranes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010710","descriptor_name":"Phosphates","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1002/jps.2600800409","doi":"https://doi.org/10.1002/jps.2600800409","is_oa":false,"landing_page_url":"https://doi.org/10.1002/jps.2600800409","pdf_url":null,"source":{"id":"https://openalex.org/S130661733","display_name":"Journal of Pharmaceutical Sciences","issn_l":"0022-3549","issn":["0022-3549","1520-6017"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","doyens","jufo-2","ki-jl-2","medline","norway-2","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Pharmaceutical Sciences","raw_type":"journal-article"},{"id":"pmid:1650822","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/1650822","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of pharmaceutical sciences","raw_type":"Journal Article"},{"id":"pmh:oai:digitalcommons.usu.edu:chem_facpub-1097","doi":null,"is_oa":false,"landing_page_url":"https://digitalcommons.usu.edu/chem_facpub/98","pdf_url":null,"source":{"id":"https://openalex.org/S4377196327","display_name":"Digital Commons - USU (Utah State University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I121980950","host_organization_name":"Utah State University","host_organization_lineage":["https://openalex.org/I121980950"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Chemistry and Biochemistry Faculty Publications","raw_type":"text"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G4878355461","display_name":"PROTON TRANSFERS IN PROTEINS","funder_award_id":"R01GM029391","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G5142447086","display_name":"CONTRIBUTION OF ELECTRON CORRELATION TO HYDROGEN BONDS","funder_award_id":"R01GM036912","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":31,"referenced_works":["https://openalex.org/W657579990","https://openalex.org/W1500581693","https://openalex.org/W1973469259","https://openalex.org/W1973902342","https://openalex.org/W1978424246","https://openalex.org/W1987604354","https://openalex.org/W1992934129","https://openalex.org/W2006192148","https://openalex.org/W2018395898","https://openalex.org/W2018933556","https://openalex.org/W2021980891","https://openalex.org/W2037252368","https://openalex.org/W2040587515","https://openalex.org/W2043432168","https://openalex.org/W2045883964","https://openalex.org/W2047721727","https://openalex.org/W2061854394","https://openalex.org/W2063713316","https://openalex.org/W2066369568","https://openalex.org/W2067280844","https://openalex.org/W2069884282","https://openalex.org/W2076067428","https://openalex.org/W2079745408","https://openalex.org/W2082265546","https://openalex.org/W2090470824","https://openalex.org/W2111202640","https://openalex.org/W2148941593","https://openalex.org/W2164031052","https://openalex.org/W2170281119","https://openalex.org/W2399804718","https://openalex.org/W2467708482"],"related_works":["https://openalex.org/W1980919955","https://openalex.org/W2008351322","https://openalex.org/W2067280844","https://openalex.org/W2007649035","https://openalex.org/W5621956","https://openalex.org/W1964032611","https://openalex.org/W1948581599","https://openalex.org/W2062450331","https://openalex.org/W1650205067","https://openalex.org/W6979699800"],"abstract_inverted_index":null,"counts_by_year":[{"year":2020,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2026-11-06T12:05:46.655746","created_date":"2016-06-24T00:00:00"}