{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,17]],"date-time":"2026-03-17T08:23:48Z","timestamp":1773735828963,"version":"3.50.1"},"reference-count":30,"publisher":"Wiley","issue":"3","license":[{"start":{"date-parts":[[2003,10,3]],"date-time":"2003-10-03T00:00:00Z","timestamp":1065139200000},"content-version":"vor","delay-in-days":275,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Environ and Mol Mutagen"],"published-print":{"date-parts":[[2003,1]]},"abstract":"<jats:title>Abstract<\/jats:title><jats:p>Aldehydes are important industrial compounds that are used for the synthesis of chemicals and pharmaceuticals and as solvents, food additives, and disinfectants. Because of their reactivity, aldehydes are able to interact with electron\u2010rich biological macromolecules and adverse health effects have been reported, including general toxicity, allergenic reactions, mutagenicity, and carcinogenicity. The cost, time, and number of animals necessary to adequately screen these chemicals places serious limitations on the number of aldehydes whose health potential can be studied and points to the need of using alternative methods for assessing, at least in a preliminary way, the risks associated with the use of aldehydes. A method of choice is the study of quantitative structure\u2013activity relationships (QSARs). In the present work, we present QSAR models for the mutagenicity and carcinogenicity of simple aldehydes and \u03b1\u2010\u03b2 unsaturated aldehydes. The models point to the role of electrophilicity, bulkiness, and hydrophobicity in the genotoxic activity of the aldehydes and lend themselves to the prediction of the activity of other untested chemicals of the same class. Environ. Mol. Mutagen. 42:136\u2013143, 2003. \u00a9 2003 Wiley\u2010Liss, Inc.<\/jats:p>","DOI":"10.1002\/em.10190","type":"journal-article","created":{"date-parts":[[2003,10,7]],"date-time":"2003-10-07T08:03:15Z","timestamp":1065513795000},"page":"136-143","source":"Crossref","is-referenced-by-count":38,"title":["Structure\u2013activity relationships for the mutagenicity and carcinogenicity of simple and \u03b1\u2010\u03b2 unsaturated aldehydes"],"prefix":"10.1002","volume":"42","author":[{"given":"Romualdo","family":"Benigni","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Laura","family":"Passerini","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Andrea","family":"Rodomonte","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2003,10,3]]},"reference":[{"key":"e_1_2_1_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/0278-6915(89)90160-9"},{"key":"e_1_2_1_3_1","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1098-1128(199605)16:3<267::AID-MED3>3.0.CO;2-X"},{"key":"e_1_2_1_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/S1383-5742(02)00008-X"},{"key":"e_1_2_1_5_1","article-title":"The second National Toxicology Program comparative exercise on the prediction of rodent carcinogenicity: definitive results","author":"Benigni R","year":"2003","journal-title":"Mutat Res Rev"},{"key":"e_1_2_1_6_1","doi-asserted-by":"publisher","DOI":"10.1289\/ehp.96104s51001"},{"key":"e_1_2_1_7_1","doi-asserted-by":"publisher","DOI":"10.1021\/bi00565a010"},{"key":"e_1_2_1_8_1","first-page":"3577","article-title":"Acrolein initiates rat urinary bladder carcinogenesis","volume":"52","author":"Cohen SM","year":"1992","journal-title":"Cancer Res"},{"key":"e_1_2_1_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/0272-0590(92)90147-A"},{"key":"e_1_2_1_10_1","doi-asserted-by":"publisher","DOI":"10.1093\/mutage\/13.1.19"},{"key":"e_1_2_1_11_1","doi-asserted-by":"publisher","DOI":"10.1002\/em.1039"},{"key":"e_1_2_1_12_1","doi-asserted-by":"publisher","DOI":"10.1093\/mutage\/6.4.261"},{"key":"e_1_2_1_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/0378-4274(93)90048-3"},{"key":"e_1_2_1_14_1","doi-asserted-by":"publisher","DOI":"10.1093\/mutage\/9.5.473"},{"key":"e_1_2_1_15_1","doi-asserted-by":"publisher","DOI":"10.1016\/0165-1218(94)90108-2"},{"key":"e_1_2_1_16_1","first-page":"501","article-title":"Effect of hydrolized formaldehyde treated DNA on neoplastic and normal human cells","volume":"37","author":"Feldman MY","year":"1977","journal-title":"Cancer Res"},{"key":"e_1_2_1_17_1","doi-asserted-by":"publisher","DOI":"10.1016\/0165-1218(91)90128-9"},{"key":"e_1_2_1_18_1","first-page":"1","volume-title":"Quantitative structure\u2010activity relationship (QSAR) models of mutagens and carcinogens","author":"Franke R","year":"2003"},{"key":"e_1_2_1_19_1","doi-asserted-by":"publisher","DOI":"10.1016\/0048-9697(91)90167-D"},{"key":"e_1_2_1_20_1","volume-title":"Exploring QSAR. 1. Fundamentals and applications in chemistry and biology","author":"Hansch C","year":"1995"},{"key":"e_1_2_1_21_1","volume-title":"Exploring QSAR. 2. Hydrophobic, electronic and steric constants","author":"Hansch C","year":"1995"},{"key":"e_1_2_1_22_1","volume-title":"Carbon\u201013 NMR spectroscopy","author":"Kalinowski HO","year":"1988"},{"key":"e_1_2_1_23_1","doi-asserted-by":"publisher","DOI":"10.1002\/em.2850170107"},{"key":"e_1_2_1_24_1","doi-asserted-by":"publisher","DOI":"10.1016\/0165-1110(88)90027-9"},{"key":"e_1_2_1_25_1","volume-title":"Advanced organic chemistry","author":"March J","year":"2001"},{"key":"e_1_2_1_26_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.72.8.3190"},{"key":"e_1_2_1_27_1","first-page":"1","volume-title":"Recent advances in atropoisomerism. Topics in stereochemistry","author":"Oki M","year":"1983"},{"key":"e_1_2_1_28_1","first-page":"81","volume-title":"Quantitative structure\u2010activity relationship (QSAR) models of chemical mutagens and carcinogens","author":"Passerini L","year":"2003"},{"key":"e_1_2_1_29_1","doi-asserted-by":"publisher","DOI":"10.1034\/j.1600-0536.2002.470406.x"},{"key":"e_1_2_1_30_1","doi-asserted-by":"publisher","DOI":"10.1080\/10629360290002055"},{"key":"e_1_2_1_31_1","doi-asserted-by":"publisher","DOI":"10.1007\/BF00128336"}],"container-title":["Environmental and Molecular Mutagenesis"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fem.10190","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/em.10190","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,11,17]],"date-time":"2023-11-17T23:21:01Z","timestamp":1700263261000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/em.10190"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2003,1]]},"references-count":30,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2003,1]]}},"alternative-id":["10.1002\/em.10190"],"URL":"https:\/\/doi.org\/10.1002\/em.10190","archive":["Portico"],"relation":{},"ISSN":["0893-6692","1098-2280"],"issn-type":[{"value":"0893-6692","type":"print"},{"value":"1098-2280","type":"electronic"}],"subject":[],"published":{"date-parts":[[2003,1]]}}}