ERIC Number: EJ1036385
Record Type: Journal
Publication Date: 2014-Aug
Abstractor: As Provided
Reference Count: 8
High-Resolution Solid-State NMR Spectroscopy: Characterization of Polymorphism in Cimetidine, a Pharmaceutical Compound
Pacilio, Julia E.; Tokarski, John T.; Quiñones, Rosalynn; Iuliucci, Robbie J.
Journal of Chemical Education, v91 n8 p1236-1239 Aug 2014
High-resolution solid-state NMR (SSNMR) spectroscopy has many advantages as a tool to characterize solid-phase material that finds applications in polymer chemistry, nanotechnology, materials science, biomolecular structure determination, and others, including the pharmaceutical industry. The technology associated with achieving high resolution has evolved to where SSNMR spectroscopy has become routine. To highlight SSNMR spectroscopy capability, an experiment exploring polymorphism in a pharmaceutical compound is described. Polymorphism can be studied by one-dimensional [superscript 13]C NMR spectroscopy, presenting a straightforward experiment to highlight the techniques of cross-polarization, magic-angle spinning, and decoupling. To aid those unfamiliar with solid-state NMR methods, a detailed tutorial on the associated techniques is provided. The polymorphs of cimetidine, the active pharmaceutical agent of Tagamet, were selected to study. The development of the histamine H[subscript 2]-receptor antagonist was novel, and the "rational drug design" approach led Sir James W. Black to share the 1988 Nobel Prize in Physiology and Medicine. Because some of the polymorphic forms fail to produce crystals suitable for X-ray diffraction, SSNMR spectroscopy has played a critical role in characterizing the crystal structures of cimetidine polymorphs. The experiment has been implemented for an advanced analytical laboratory.
Descriptors: Science Instruction, College Science, Undergraduate Study, Chemistry, Science Laboratories, Hands on Science, Spectroscopy, Pharmacology, Pharmacy, Drug Use, Scientific Concepts, Science Experiments, Laboratory Experiments
Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: firstname.lastname@example.org; Web site: http://pubs.acs.org/jchemeduc
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education; Postsecondary Education
Sponsor: National Science Foundation
Authoring Institution: N/A
IES Grant or Contract Numbers: CHE-0956755