{"id":"https://openalex.org/W2094523616","doi":"https://doi.org/10.1016/0378-4274(89)90142-2","title":"Modeling the reactivity of acrylic acid and acrylate anion with biological nucleophiles","display_name":"Modeling the reactivity of acrylic acid and acrylate anion with biological nucleophiles","publication_year":1989,"publication_date":"1989-06-01","ids":{"openalex":"https://openalex.org/W2094523616","doi":"https://doi.org/10.1016/0378-4274(89)90142-2","mag":"2094523616","pmid":"https://pubmed.ncbi.nlm.nih.gov/2749769"},"language":"en","primary_location":{"id":"doi:10.1016/0378-4274(89)90142-2","doi":"https://doi.org/10.1016/0378-4274(89)90142-2","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0378-4274(89)90142-2","pdf_url":null,"source":{"id":"https://openalex.org/S205878144","display_name":"Toxicology Letters","issn_l":"0378-4274","issn":["0378-4274","1879-3169"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-1","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":"Toxicology Letters","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5071317720","display_name":"Clay B. Frederick","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Clay B. Frederick","raw_affiliation_strings":["Toxicology Department, Rohm and Haas Co., Spring House, PA 19477"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Toxicology Department, Rohm and Haas Co., Spring House, PA 19477","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5080408896","display_name":"Charles H. Reynolds","orcid":"https://orcid.org/0000-0001-9116-2678","observed_orcids":["https://orcid.org/0000-0001-9116-2678"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Charles H. Reynolds","raw_affiliation_strings":["Computer Applications Research, Rohm and Haas Co., Spring House, PAU.S.A"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer Applications Research, Rohm and Haas Co., Spring House, PAU.S.A","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4270,"currency":"USD","value_usd":4270},"apc_paid":null,"fwci":0.4098,"has_fulltext":false,"cited_by_count":21,"citation_normalized_percentile":{"value":0.59291731,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":96},"biblio":{"volume":"47","issue":"3","first_page":"241","last_page":"247"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10433","display_name":"Carcinogens and Genotoxicity Assessment","score":0.6464999914169312,"subfield":{"id":"https://openalex.org/subfields/1306","display_name":"Cancer Research"},"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"}},"topics":[{"id":"https://openalex.org/T10433","display_name":"Carcinogens and Genotoxicity Assessment","score":0.6464999914169312,"subfield":{"id":"https://openalex.org/subfields/1306","display_name":"Cancer Research"},"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"}},{"id":"https://openalex.org/T12191","display_name":"Physical Organic Chemistry and Reaction Kinetics","score":0.2655999958515167,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.012500000186264515,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/acrylic-acid","display_name":"acrylic acid","score":0.9810000061988831},{"id":"https://openalex.org/keywords/michael-addition","display_name":"Michael addition","score":0.9549999833106995},{"id":"https://openalex.org/keywords/nucleophiles","display_name":"nucleophiles","score":0.722000002861023},{"id":"https://openalex.org/keywords/methylamine","display_name":"methylamine","score":0.9869999885559082},{"id":"https://openalex.org/keywords/imidazole","display_name":"imidazole","score":1.0},{"id":"https://openalex.org/keywords/reaction-pathways","display_name":"reaction pathways","score":0.6869999766349792},{"id":"https://openalex.org/keywords/am1-semi-empirical-method","display_name":"AM1 semi-empirical method","score":0.6169999837875366}],"concepts":[{"id":"https://openalex.org/C178907741","wikidata":"https://www.wikidata.org/wiki/Q745930","display_name":"Nucleophile","level":3,"score":0.8735401630401611},{"id":"https://openalex.org/C2776910235","wikidata":"https://www.wikidata.org/wiki/Q18574","display_name":"Reactivity (psychology)","level":3,"score":0.7627168893814087},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7493799924850464},{"id":"https://openalex.org/C2779989194","wikidata":"https://www.wikidata.org/wiki/Q343016","display_name":"Acrylate","level":4,"score":0.5571162104606628},{"id":"https://openalex.org/C2778969155","wikidata":"https://www.wikidata.org/wiki/Q409304","display_name":"Methylamine","level":2,"score":0.5528688430786133},{"id":"https://openalex.org/C2780874372","wikidata":"https://www.wikidata.org/wiki/Q328692","display_name":"Imidazole","level":2,"score":0.5473839640617371},{"id":"https://openalex.org/C2780503075","wikidata":"https://www.wikidata.org/wiki/Q324628","display_name":"Acrylic acid","level":4,"score":0.4968734085559845},{"id":"https://openalex.org/C10146269","wikidata":"https://www.wikidata.org/wiki/Q185557","display_name":"Excretion","level":2,"score":0.41333723068237305},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.33581334352493286},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.17679965496063232},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.08855116367340088},{"id":"https://openalex.org/C15920480","wikidata":"https://www.wikidata.org/wiki/Q421281","display_name":"Copolymer","level":3,"score":0.051467329263687134},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.0},{"id":"https://openalex.org/C204787440","wikidata":"https://www.wikidata.org/wiki/Q188504","display_name":"Alternative medicine","level":2,"score":0.0},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000179","descriptor_name":"Acrylates","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D000179","descriptor_name":"Acrylates","qualifier_ui":"Q000633","qualifier_name":"toxicity","is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000838","descriptor_name":"Anions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002417","descriptor_name":"Cattle","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D002621","descriptor_name":"Chemistry","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004247","descriptor_name":"DNA","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D004247","descriptor_name":"DNA","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D004249","descriptor_name":"DNA Damage","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007093","descriptor_name":"Imidazoles","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008744","descriptor_name":"Methylamines","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013950","descriptor_name":"Thymus Gland","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D055598","descriptor_name":"Chemical Phenomena","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1016/0378-4274(89)90142-2","doi":"https://doi.org/10.1016/0378-4274(89)90142-2","is_oa":false,"landing_page_url":"https://doi.org/10.1016/0378-4274(89)90142-2","pdf_url":null,"source":{"id":"https://openalex.org/S205878144","display_name":"Toxicology Letters","issn_l":"0378-4274","issn":["0378-4274","1879-3169"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-1","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":"Toxicology Letters","raw_type":"journal-article"},{"id":"pmid:2749769","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/2749769","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":"Toxicology letters","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":13,"referenced_works":["https://openalex.org/W2005087900","https://openalex.org/W2024099359","https://openalex.org/W2030062341","https://openalex.org/W2041792275","https://openalex.org/W2046488220","https://openalex.org/W2071250649","https://openalex.org/W2071392045","https://openalex.org/W2077973224","https://openalex.org/W2094409793","https://openalex.org/W2122090316","https://openalex.org/W2155810335","https://openalex.org/W2317012207","https://openalex.org/W2994228707"],"related_works":["https://openalex.org/W2071250649","https://openalex.org/W2951862339","https://openalex.org/W2082210558","https://openalex.org/W2950624235","https://openalex.org/W2552958244","https://openalex.org/W2996417739","https://openalex.org/W2806687045","https://openalex.org/W2030266857","https://openalex.org/W2950563925","https://openalex.org/W1969006699"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2016,"cited_by_count":2}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}