{"data":{"id":"10.6084/m9.figshare.3493694.v1","type":"dois","attributes":{"doi":"10.6084/m9.figshare.3493694.v1","prefix":"10.6084","suffix":"m9.figshare.3493694.v1","identifiers":[],"alternateIdentifiers":[],"creators":[{"name":"Profirio, Daniel De Moraes","nameType":"Personal","givenName":"Daniel De Moraes","familyName":"Profirio","affiliation":[],"nameIdentifiers":[]},{"name":"Paiva, Raphael Enoque Ferraz De","nameType":"Personal","givenName":"Raphael Enoque Ferraz De","familyName":"Paiva","affiliation":[],"nameIdentifiers":[]},{"name":"Abbehausen, Camilla","nameType":"Personal","givenName":"Camilla","familyName":"Abbehausen","affiliation":[],"nameIdentifiers":[]},{"name":"Cuin, Alexandre","nameType":"Personal","givenName":"Alexandre","familyName":"Cuin","affiliation":[],"nameIdentifiers":[]},{"name":"Masciocchi, Norberto","nameType":"Personal","givenName":"Norberto","familyName":"Masciocchi","affiliation":[],"nameIdentifiers":[]},{"name":"Machado, Daisy","nameType":"Personal","givenName":"Daisy","familyName":"Machado","affiliation":[],"nameIdentifiers":[]},{"name":"Lancellotti, Marcelo","nameType":"Personal","givenName":"Marcelo","familyName":"Lancellotti","affiliation":[],"nameIdentifiers":[]},{"name":"Corbi, Pedro Paulo","nameType":"Personal","givenName":"Pedro Paulo","familyName":"Corbi","affiliation":[],"nameIdentifiers":[]},{"name":"Formiga, André Luiz Barboza","nameType":"Personal","givenName":"André Luiz Barboza","familyName":"Formiga","affiliation":[],"nameIdentifiers":[]}],"titles":[{"title":"Crystal structure and cytotoxic activities of a bis(pyrrolyl-imine) gold(III) complex"}],"publisher":"Taylor \u0026 Francis","container":{},"publicationYear":2016,"subjects":[{"subject":"Biophysics"},{"subject":"Biochemistry"},{"subject":"Space Science"},{"subject":"29999 Physical Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Physical sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Physical sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Physiology"},{"subject":"FOS: Biological sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Biological sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Biotechnology"},{"subject":"59999 Environmental Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Earth and related environmental sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Earth and related environmental sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"39999 Chemical Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"FOS: Chemical sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"FOS: Chemical sciences","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"69999 Biological Sciences not elsewhere classified","subjectScheme":"FOR"},{"subject":"Cancer"}],"contributors":[],"dates":[{"date":"2016-07-21","dateType":"Created"},{"date":"2016-09-03","dateType":"Updated"},{"date":"2016","dateType":"Issued"}],"language":null,"types":{"ris":"DATA","bibtex":"misc","citeproc":"dataset","schemaOrg":"Dataset","resourceType":"Dataset","resourceTypeGeneral":"Dataset"},"relatedIdentifiers":[{"relationType":"IsSupplementTo","relatedIdentifier":"10.1080/00958972.2016.1214949","relatedIdentifierType":"DOI"},{"relationType":"IsIdenticalTo","relatedIdentifier":"10.6084/m9.figshare.3493694","relatedIdentifierType":"DOI"}],"relatedItems":[],"sizes":["2249123 Bytes"],"formats":[],"version":null,"rightsList":[{"rights":"Creative Commons Attribution 4.0 International","rightsUri":"https://creativecommons.org/licenses/by/4.0/legalcode","schemeUri":"https://spdx.org/licenses/","rightsIdentifier":"cc-by-4.0","rightsIdentifierScheme":"SPDX"}],"descriptions":[{"description":"A gold(III) complex with N,N′-ethylenebis(pyrrol-2-yl-methyleneamine) (H\u003csub\u003e2\u003c/sub\u003epyren) was synthesized and characterized by physicochemical and spectroscopic measurements. Density functional theory (DFT) studies and cytotoxic assays were performed. Infrared, mass spectrometry, and \u003csup\u003e1\u003c/sup\u003eH, \u003csup\u003e13\u003c/sup\u003eC, and {\u003csup\u003e15\u003c/sup\u003eN,\u003csup\u003e1\u003c/sup\u003eH} nuclear magnetic resonance analyses indicate that pyren is deprotonated and gold(III) is four coordinate in a square planar environment, with the pyrrole and imine nitrogens as donors. The structure was confirmed by powder X-ray diffraction and confirmed as a minimum of the potential energy surface by DFT. Cytotoxic activity of [Au(pyren)]\u003csup\u003e+\u003c/sup\u003e was active against three tumorigenic cell lines with IC\u003csub\u003e50\u003c/sub\u003e values of 35 μM. Interaction studies with CT-DNA by fluorescence and competition with ethidium bromide (EB) showed a quenching of the emission band of DNA with a Stern–Volmer quenching constant value of (3.0 ± 0.1) × 10\u003csup\u003e4\u003c/sup\u003e M\u003csup\u003e−1\u003c/sup\u003e and a decrease in fluorescence quenching of EB-DNA system, respectively, confirming that DNA is a possible target for the complex via an intercalative binding, which was confirmed by DNA conformational changes observed with circular dichroism spectroscopy.","descriptionType":"Abstract"}],"geoLocations":[],"fundingReferences":[],"xml":"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","url":"https://tandf.figshare.com/articles/dataset/Crystal_structure_and_cytotoxic_activities_of_a_bis_pyrrolyl-imine_gold_III_complex/3493694/1","contentUrl":null,"metadataVersion":4,"schemaVersion":"http://datacite.org/schema/kernel-4","source":"mds","isActive":true,"state":"findable","reason":null,"viewCount":0,"viewsOverTime":[],"downloadCount":0,"downloadsOverTime":[],"referenceCount":1,"citationCount":0,"citationsOverTime":[],"partCount":0,"partOfCount":0,"versionCount":0,"versionOfCount":0,"created":"2016-07-21T08:15:26.000Z","registered":"2016-07-21T08:15:27.000Z","published":"2016","updated":"2020-09-04T05:24:53.000Z"},"relationships":{"client":{"data":{"id":"figshare.ars","type":"clients"}},"provider":{"data":{"id":"otjm","type":"providers"}},"media":{"data":{"id":"10.6084/m9.figshare.3493694.v1","type":"media"}},"references":{"data":[{"id":"10.1080/00958972.2016.1214949","type":"dois"}]},"citations":{"data":[]},"parts":{"data":[]},"partOf":{"data":[]},"versions":{"data":[]},"versionOf":{"data":[]}}}}