Solid-state NMR studies of theophylline co-crystals with dicarboxylic acids

被引：28

作者：

Pindelska, Edyta ^{[1
]}

Sokal, Agnieszka ^{[1
]}

Szeleszczuk, Lukasz ^{[2
]}

Pisklak, Dariusz Maciej ^{[2
]}

Kolodziejski, Waclaw ^{[1
]}

机构：

[1] Med Univ Warsaw, Fac Pharm, Dept Inorgan & Analyt Chem, PL-02093 Warsaw, Poland

[2] Med Univ Warsaw, Fac Pharm, Dept Phys Chem, PL-02093 Warsaw, Poland

来源：

JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS | 2014年 / 100卷

关键词：

Co-crystals; Theophylline; ssNMR; GIPAW calculations; ANHYDROUS THEOPHYLLINE; CRYSTALLOGRAPHY; DISSOLUTION; COCRYSTALS;

D O I：

10.1016/j.jpba.2014.07.011

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

In this work, three polycrystalline materials containing co-crystals of theophylline with malonic, maleic, and glutaric acids were studied using C-13, N-15 and H-1 solid-state NMR and FT-IR spectroscopy. The NMR assignments were supported by gauge including projector augmented waves (GIPAW) calculations of chemical shielding, performed using X-ray determined geometry. The experimental C-13 cross polarization/magic angle spinning (CP/MAS) NMR results and the calculated isotropic chemical shifts were in excellent agreement. A rapid and convenient method for theophylline co-crystals crystal structure analysis has been proposed for co-crystals, which are potentially new APIs. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：322 / 328

页数：7

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