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This compound has been used as the first option drug for the treatment of filariasis, a disease endemic in tropical countries and caused by adult worms of <jats:italic>Wuchereria bancrofti<\/jats:italic>, which is transmitted by mosquitoes. We firstly present 2D <jats:sup>13<\/jats:sup>C\u2500<jats:sup>1<\/jats:sup>H dipolar\u2010coupling\u2010mediated heteronuclear correlation spectra recorded at moderate spinning frequency, to explore the intermolecular interaction between DEC and citrate molecules. Secondly, we investigate the dynamic behavior of (DEC)<jats:sup>+<\/jats:sup>(citrate)<jats:sup>\u2212<\/jats:sup> by varying the temperature and correlating the experimental MAS NMR results with DFT GIPAW calculations that consider two (DEC)<jats:sup>+<\/jats:sup> conformers (in a 70:30 ratio) for crystal structures determined at 293 and 235\u00a0K. Solid\u2010state NMR provides insights on slow exchange dynamics revealing conformational changes involving particularly the DEC ethyl groups.<\/jats:p>","DOI":"10.1002\/mrc.4790","type":"journal-article","created":{"date-parts":[[2018,8,16]],"date-time":"2018-08-16T14:28:52Z","timestamp":1534429732000},"page":"200-210","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":12,"title":["The use of variable temperature <scp><sup>13<\/sup>C<\/scp> solid\u2010state <scp>MAS NMR<\/scp> and <scp>GIPAW DFT<\/scp> calculations to explore the dynamics of diethylcarbamazine citrate"],"prefix":"10.1002","volume":"57","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5592-3940","authenticated-orcid":false,"given":"Tiago","family":"Ven\u00e2ncio","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica Universidade Federal de S\u00e3o Carlos  S\u00e3o Carlos SP Brazil"},{"name":"Department of Physics University of Warwick  Coventry UK"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lyege Magalhaes","family":"Oliveira","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica Universidade Federal de S\u00e3o Carlos  S\u00e3o Carlos SP Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tomasz","family":"Pawlak","sequence":"additional","affiliation":[{"name":"Department of Physics University of Warwick  Coventry UK"},{"name":"Polish Academy of Sciences Centre of Molecular and Macromolecular Studies  \u0141odz Poland"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0676-3098","authenticated-orcid":false,"given":"Javier","family":"Ellena","sequence":"additional","affiliation":[{"name":"Instituto de F\u00edsica de S\u00e3o Carlos Universidade de S\u00e3o Paulo  S\u00e3o Carlos SP Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nubia","family":"Boechat","sequence":"additional","affiliation":[{"name":"Funda\u00e7\u00e3o Oswaldo Cruz\u2014FioCruz Instituto de Tecnologia em F\u00e1rmacos\u2010FarManguinhos  Rio de Janeiro RJ Brazil"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2069-8496","authenticated-orcid":false,"given":"Steven P.","family":"Brown","sequence":"additional","affiliation":[{"name":"Department of Physics University of Warwick  Coventry UK"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2018,10,15]]},"reference":[{"key":"e_1_2_6_2_1","doi-asserted-by":"publisher","DOI":"10.1080\/00268970412331284208"},{"key":"e_1_2_6_3_1","doi-asserted-by":"publisher","DOI":"10.1021\/cg049922u"},{"key":"e_1_2_6_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.addr.2003.10.006"},{"key":"e_1_2_6_5_1","doi-asserted-by":"publisher","DOI":"10.1021\/cg301826s"},{"key":"e_1_2_6_6_1","doi-asserted-by":"publisher","DOI":"10.1039\/C3CS60279F"},{"key":"e_1_2_6_7_1","doi-asserted-by":"publisher","DOI":"10.1039\/b406598k"},{"key":"e_1_2_6_8_1","doi-asserted-by":"publisher","DOI":"10.1039\/C6CC00721J"},{"key":"e_1_2_6_9_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.drudis.2016.01.014"},{"key":"e_1_2_6_10_1","doi-asserted-by":"publisher","DOI":"10.1021\/ja0498235"},{"key":"e_1_2_6_11_1","doi-asserted-by":"publisher","DOI":"10.1021\/cg3007348"},{"key":"e_1_2_6_12_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1516984112"},{"key":"e_1_2_6_13_1","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp50180a"},{"key":"e_1_2_6_14_1","doi-asserted-by":"publisher","DOI":"10.1039\/C5SC00988J"},{"key":"e_1_2_6_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/ac504288u"},{"key":"e_1_2_6_16_1","doi-asserted-by":"publisher","DOI":"10.1039\/C4CC08693G"},{"key":"e_1_2_6_17_1","doi-asserted-by":"publisher","DOI":"10.1021\/cg500974r"},{"key":"e_1_2_6_18_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.addr.2016.04.002"},{"key":"e_1_2_6_19_1","doi-asserted-by":"publisher","DOI":"10.1039\/c3ce40612a"},{"key":"e_1_2_6_20_1","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201600398"},{"key":"e_1_2_6_21_1","first-page":"195","volume":"41","author":"Davis A.","year":"1969","journal-title":"Bull. 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