Diffuse Scattering as an Aid to the Understanding of Polymorphism in Pharmaceuticals

Journal Article · Mon Apr 30 04:00:00 EDT 2012 · Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science

DOI:https://doi.org/10.1007/s11661-011-0719-7· OSTI ID:1037887

Welberry, T R; Chan, E J; Goossens, D J; Heerdegen, A P ^[1]

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1. ANU

Polymorphism occurs when the same molecular compound can crystallize in more than one distinct crystal structure. Its study is a field of great interest and activity. This is largely driven by its importance in the pharmaceutical industry, but polymorphism is also an issue in the pigments, dyes, and explosives industries. The polymorph formed by a compound generally exerts a strong influence on its solid-state properties. The polymorphic form of a drug molecule may affect the ease of manufacture and processing, shelf life, and most significantly the rate of uptake of the molecule by the human body. They can even vary in toxicity; one polymorph may be safe, while a second may be toxic. In this review of recently published work, we show how diffuse scattering experiments coupled with Monte Carlo (MC) computer modeling can aid in the understanding of polymorphism. Examples of the two common pharmaceuticals, benzocaine and aspirin, both of which are bimorphic, at ambient temperatures, are discussed.

• Research Organization: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)
• Sponsoring Organization: FOREIGN
• OSTI ID: 1037887
• Journal Information: Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science, Journal Name: Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science Journal Issue: 5 Vol. 43; ISSN 1073-5623; ISSN MMTAEB
• Country of Publication: United States
• Language: ENGLISH

Related Subjects

60 APPLIED LIFE SCIENCES
ACETYLSALICYLIC ACID
AMBIENT TEMPERATURE
COMPUTERS
CRYSTAL STRUCTURE
DIFFUSE SCATTERING
DRUGS
DYES
EXPLOSIVES
PIGMENTS
PROCESSING
SIMULATION
TOXICITY