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Probing Intermolecular Interactions in a Diethylcarbamazine Citrate Salt by Fast MAS

Probing Intermolecular Interactions in a Diethylcarbamazine Citrate Salt by Fast MAS

Tiago Venâncio, Lyege Magalhaes Oliveira, Javier Ellena, Nubia Boechat, Steven P Brown

Solid State Nucl Magn Reson. 2017 Oct;87:73-79.

PMID: 28342733

Abstract:

Fast magic-angle spinning (MAS) NMR is used to probe intermolecular interactions in a diethylcarbamazine salt, that is widely used as a treatment against adult worms of Wuchereria bancrofti which cause a common disease in tropical countries named filariasis. Specifically, a dihydrogen citrate salt that has improved thermal stability and solubility as compared to the free form is studied. One-dimensional 1H, 13C and 15N and two-dimensional 1H-13C and 14N-1H heteronuclear correlation NMR experiments under moderate and fast MAS together with GIPAW (CASTEP) calculations enable the assignment of the 1H, 13C and 14N/15N resonances. A two-dimensional 1H-1H double-quantum (DQ) -single-quantum (SQ) MAS spectrum recorded with BaBa recoupling at 60kHz MAS identifies specific proton-proton proximities associated with citrate-citrate and citrate-diethylcarbamazine intermolecular interactions.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP13900124	Butethamate citrate salt		13900-12-4	Price

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