{"id":"https://openalex.org/W2046907434","doi":"https://doi.org/10.1007/s10822-013-9669-z","title":"Detection of tautomer proportions of dimedone in solution: a new approach based on theoretical and FT-IR viewpoint","display_name":"Detection of tautomer proportions of dimedone in solution: a new approach based on theoretical and FT-IR viewpoint","publication_year":2013,"publication_date":"2013-08-01","ids":{"openalex":"https://openalex.org/W2046907434","doi":"https://doi.org/10.1007/s10822-013-9669-z","mag":"2046907434","pmid":"https://pubmed.ncbi.nlm.nih.gov/23922034"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-013-9669-z","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-013-9669-z","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"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/A5049377053","display_name":"Sedat Karabulut","orcid":"https://orcid.org/0000-0002-3311-2768"},"institutions":[{"id":"https://openalex.org/I115600380","display_name":"Bal\u0131kesir University","ror":"https://ror.org/02tv7db43","country_code":"TR","type":"education","lineage":["https://openalex.org/I115600380"]}],"countries":["TR"],"is_corresponding":true,"raw_author_name":"Sedat Karabulut","raw_affiliation_strings":["Department of Chemistry, Faculty of Science and Literature, Balikesir University, Bal\u0131kesir, Turkey, sedatk@balikesir.edu.tr","Department of Chemistry, Faculty of Science and Literature, Balikesir University, Balikesir, Turkey"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Science and Literature, Balikesir University, Bal\u0131kesir, Turkey, sedatk@balikesir.edu.tr","institution_ids":[]},{"raw_affiliation_string":"Department of Chemistry, Faculty of Science and Literature, Balikesir University, Balikesir, Turkey","institution_ids":["https://openalex.org/I115600380"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040448117","display_name":"H\u0131lm\u0131 Naml\u0131","orcid":null},"institutions":[{"id":"https://openalex.org/I115600380","display_name":"Bal\u0131kesir University","ror":"https://ror.org/02tv7db43","country_code":"TR","type":"education","lineage":["https://openalex.org/I115600380"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Hilmi Namli","raw_affiliation_strings":["Department of Chemistry, Faculty of Science and Literature, Balikesir University, Bal\u0131kesir, Turkey","Department of Chemistry, Faculty of Science and Literature, Balikesir University, Balikesir, Turkey"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Science and Literature, Balikesir University, Bal\u0131kesir, Turkey","institution_ids":["https://openalex.org/I115600380"]},{"raw_affiliation_string":"Department of Chemistry, Faculty of Science and Literature, Balikesir University, Balikesir, Turkey","institution_ids":["https://openalex.org/I115600380"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5026733952","display_name":"Jerzy Leszczy\u0144ski","orcid":"https://orcid.org/0000-0001-5290-6136"},"institutions":[{"id":"https://openalex.org/I61937129","display_name":"Jackson State University","ror":"https://ror.org/01ecnnp60","country_code":"US","type":"education","lineage":["https://openalex.org/I4210141039","https://openalex.org/I61937129"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jerzy Leszczynski","raw_affiliation_strings":["Interdisciplinary Nanotoxicity Center, Jackson State University, Jackson, MS, USA","Interdisciplinary Nanotoxicity Center, Jackson State University,Jackson,USA"],"affiliations":[{"raw_affiliation_string":"Interdisciplinary Nanotoxicity Center, Jackson State University, Jackson, MS, USA","institution_ids":["https://openalex.org/I61937129"]},{"raw_affiliation_string":"Interdisciplinary Nanotoxicity Center, Jackson State University,Jackson,USA","institution_ids":["https://openalex.org/I61937129"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5049377053"],"corresponding_institution_ids":["https://openalex.org/I115600380"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.4559,"has_fulltext":false,"cited_by_count":13,"citation_normalized_percentile":{"value":0.59722814,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"27","issue":"8","first_page":"681","last_page":"688"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.9994000196456909,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.9994000196456909,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T11746","display_name":"Inorganic and Organometallic Chemistry","score":0.9986000061035156,"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/T13876","display_name":"Chemical synthesis and pharmacological studies","score":0.9980000257492065,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/dimedone","display_name":"Dimedone","score":0.9751303195953369},{"id":"https://openalex.org/keywords/tautomer","display_name":"Tautomer","score":0.8735939264297485},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6979911923408508},{"id":"https://openalex.org/keywords/cyclohexane","display_name":"Cyclohexane","score":0.6209192872047424},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.5672802925109863},{"id":"https://openalex.org/keywords/chloroform","display_name":"Chloroform","score":0.5566085577011108},{"id":"https://openalex.org/keywords/acetonitrile","display_name":"Acetonitrile","score":0.5170141458511353},{"id":"https://openalex.org/keywords/dichloromethane","display_name":"Dichloromethane","score":0.5102663040161133},{"id":"https://openalex.org/keywords/physical-chemistry","display_name":"Physical chemistry","score":0.5027651786804199},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.22472286224365234},{"id":"https://openalex.org/keywords/solvent","display_name":"Solvent","score":0.1589283049106598}],"concepts":[{"id":"https://openalex.org/C2777974117","wikidata":"https://www.wikidata.org/wiki/Q418261","display_name":"Dimedone","level":3,"score":0.9751303195953369},{"id":"https://openalex.org/C111233374","wikidata":"https://www.wikidata.org/wiki/Q334640","display_name":"Tautomer","level":2,"score":0.8735939264297485},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6979911923408508},{"id":"https://openalex.org/C2778237882","wikidata":"https://www.wikidata.org/wiki/Q211433","display_name":"Cyclohexane","level":2,"score":0.6209192872047424},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.5672802925109863},{"id":"https://openalex.org/C2781144210","wikidata":"https://www.wikidata.org/wiki/Q172275","display_name":"Chloroform","level":2,"score":0.5566085577011108},{"id":"https://openalex.org/C2777463227","wikidata":"https://www.wikidata.org/wiki/Q408047","display_name":"Acetonitrile","level":2,"score":0.5170141458511353},{"id":"https://openalex.org/C2780400988","wikidata":"https://www.wikidata.org/wiki/Q421748","display_name":"Dichloromethane","level":3,"score":0.5102663040161133},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.5027651786804199},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.22472286224365234},{"id":"https://openalex.org/C2780471494","wikidata":"https://www.wikidata.org/wiki/Q146505","display_name":"Solvent","level":2,"score":0.1589283049106598},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D003512","descriptor_name":"Cyclohexanones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003512","descriptor_name":"Cyclohexanones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003512","descriptor_name":"Cyclohexanones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012996","descriptor_name":"Solutions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012996","descriptor_name":"Solutions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012996","descriptor_name":"Solutions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017550","descriptor_name":"Spectroscopy, Fourier Transform Infrared","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D017550","descriptor_name":"Spectroscopy, Fourier Transform Infrared","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D017550","descriptor_name":"Spectroscopy, Fourier Transform Infrared","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-013-9669-z","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-013-9669-z","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:23922034","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23922034","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,"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 computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":62,"referenced_works":["https://openalex.org/W30792185","https://openalex.org/W121074824","https://openalex.org/W1125507767","https://openalex.org/W1504770578","https://openalex.org/W1508053909","https://openalex.org/W1550061415","https://openalex.org/W1624808520","https://openalex.org/W1966363041","https://openalex.org/W1971661970","https://openalex.org/W1985336729","https://openalex.org/W1985470622","https://openalex.org/W1985556632","https://openalex.org/W2012481681","https://openalex.org/W2014866510","https://openalex.org/W2017785629","https://openalex.org/W2018063326","https://openalex.org/W2023271753","https://openalex.org/W2024044281","https://openalex.org/W2024126732","https://openalex.org/W2024884768","https://openalex.org/W2028281812","https://openalex.org/W2033042254","https://openalex.org/W2034761313","https://openalex.org/W2037770511","https://openalex.org/W2038080389","https://openalex.org/W2038301866","https://openalex.org/W2040209229","https://openalex.org/W2044940178","https://openalex.org/W2045266825","https://openalex.org/W2045304149","https://openalex.org/W2048541167","https://openalex.org/W2051844083","https://openalex.org/W2052125202","https://openalex.org/W2052831849","https://openalex.org/W2053680044","https://openalex.org/W2054488128","https://openalex.org/W2057017440","https://openalex.org/W2058611579","https://openalex.org/W2058848030","https://openalex.org/W2069006374","https://openalex.org/W2069328192","https://openalex.org/W2069336120","https://openalex.org/W2069878925","https://openalex.org/W2071878948","https://openalex.org/W2071992316","https://openalex.org/W2076935480","https://openalex.org/W2086957099","https://openalex.org/W2092245264","https://openalex.org/W2097070207","https://openalex.org/W2103841296","https://openalex.org/W2104771289","https://openalex.org/W2126466006","https://openalex.org/W2312982824","https://openalex.org/W2323940294","https://openalex.org/W2334117282","https://openalex.org/W2768565525","https://openalex.org/W2950524288","https://openalex.org/W2950842046","https://openalex.org/W2952069969","https://openalex.org/W2952684232","https://openalex.org/W4233949378","https://openalex.org/W4300109386"],"related_works":["https://openalex.org/W2149717511","https://openalex.org/W2118371979","https://openalex.org/W2001315011","https://openalex.org/W2331718110","https://openalex.org/W2950962165","https://openalex.org/W2046992084","https://openalex.org/W2522817947","https://openalex.org/W1996347091","https://openalex.org/W2046907434","https://openalex.org/W2070363105"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":1}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}
