{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,4]],"date-time":"2026-08-04T16:27:32Z","timestamp":1785860852132,"version":"3.56.0"},"reference-count":40,"publisher":"MDPI AG","issue":"5","license":[{"start":{"date-parts":[[2021,5,2]],"date-time":"2021-05-02T00:00:00Z","timestamp":1619913600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/100014440","name":"Ministerio de Ciencia, Innovaci\u00f3n y Universidades","doi-asserted-by":"publisher","award":["PGC2018-102047-B-I00 and CTQ2017-85821-R"],"award-info":[{"award-number":["PGC2018-102047-B-I00 and CTQ2017-85821-R"]}],"id":[{"id":"10.13039\/100014440","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Pharmaceuticals"],"abstract":"<jats:p>In the extensive field of metal ions, their interactions with nucleic acids, and their constituents, the main aim of this work is to develop a metal chelate suitable to recognize two molecules of an adenine nucleoside. For this purpose, the dinuclear chelate Cu2 (\u00b5-EDTA) (ethylenediaminetetraacetate(4-) ion (EDTA)) is chosen as a bicephalic receptor model for N9-(2-hydroxyethyl)adenine (9heade). A one-pot synthesis is reported to obtain the compound [Cu2(\u00b52-EDTA)(9heade)2(H2O)4]\u00b73H2O, which has been characterized by single-crystal X-ray diffraction and various spectral, thermal, and magnetic methods. The complex unit is a centro-symmetric molecule, where each Cu (II) center is chelated by a half-EDTA, and is further surrounded by an N7-dentate 9heade nucleoside and two non-equivalent trans-O-aqua molecules. The metal chelate-nucleoside molecular recognition is referred to as an efficient cooperation between the Cu-N7(9heade) coordination bond and a (9heade)N6-H\u00b7\u00b7\u00b7O(carboxyl, EDTA) interligand interaction. Theoretical calculations are also made to account for the relevance of this interaction. The extreme weakness with which each water molecule binds to the metal center disturbs the thermal stability and the infrared (FT-IR) and electron spin resonance (ESR) spectra of the compound.<\/jats:p>","DOI":"10.3390\/ph14050426","type":"journal-article","created":{"date-parts":[[2021,5,2]],"date-time":"2021-05-02T08:05:21Z","timestamp":1619942721000},"page":"426","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":6,"title":["Dicopper(II)-EDTA Chelate as a Bicephalic Receptor Model for a Synthetic Adenine Nucleoside"],"prefix":"10.3390","volume":"14","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-4008-6326","authenticated-orcid":false,"given":"Mar\u00eda Eugenia","family":"Garc\u00eda-Rubi\u00f1o","sequence":"first","affiliation":[{"name":"Departamento Fisicoqu\u00edmica, Facultad de Farmacia, Universidad de Granada, 18071 Granada, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5513-1815","authenticated-orcid":false,"given":"Antonio","family":"Matilla-Hern\u00e1ndez","sequence":"additional","affiliation":[{"name":"Department of Inorganic Chemistry, Faculty of Pharmacy, University of Granada, 18071 Granada, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7840-2139","authenticated-orcid":false,"given":"Antonio","family":"Frontera","sequence":"additional","affiliation":[{"name":"Departament de Qu\u00edmica, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Baleares, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6183-2052","authenticated-orcid":false,"given":"Luis","family":"Lezama","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Org\u00e1nica e Inorg\u00e1nica, Facultad de Ciencia y Tecnolog\u00eda, Universidad del Pa\u00eds Vasco, UPV\/EHU, 48940 Leioa, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8882-640X","authenticated-orcid":false,"given":"Juan","family":"Nicl\u00f3s-Guti\u00e9rrez","sequence":"additional","affiliation":[{"name":"Department of Inorganic Chemistry, Faculty of Pharmacy, University of Granada, 18071 Granada, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7077-8972","authenticated-orcid":false,"given":"Duane","family":"Choquesillo-Lazarte","sequence":"additional","affiliation":[{"name":"Laboratorio de Estudios Cristalogr\u00e1ficos, IACT, CSIC-Universidad de Granada, Av. de las Palmeras 4, Armilla, 18100 Granada, Spain"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1968","published-online":{"date-parts":[[2021,5,2]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"1241","DOI":"10.1016\/j.ccr.2007.09.018","article-title":"Interligand Interactions Involved in the Molecular Recognition between Copper (II) Complexes and Adenine or Related Purines","volume":"252","year":"2008","journal-title":"Coord. 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