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Advanced X-Ray Analytical Methods to Understand Structure, Properties, and Risk

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Discovering and Developing Molecules with Optimal Drug-Like Properties

Part of the book series: AAPS Advances in the Pharmaceutical Sciences Series ((AAPS,volume 15))

Abstract

State-of-the-art high-energy x-ray diffraction measurements are described aimed at extracting detailed structural information on drug formulations at the atomic level. Methods for screening the glass forming ability of drug–polymer mixtures under containerless conditions, constructing phase diagrams, and extracting bonding interactions between the drug and polymer molecules are outlined.

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Acknowledgements

Dr. Stephen Byrn is thanked for helpful discussions and review of the manuscript. Dr. Rick Weber is thanked for his help with the levitator experiments and stimulating discussions throughout this project. Dr. Xin Chen is helped with the sample preparation and levitation experiments at the APS. Thanks to Veronika Kondev for Fig. 9.4c and Qiushi Mou for his help in separating out the intramolecular and intermolecular contributions for itraconazole (Fig. 9.6). This work was supported by the Office of Basic Energy Sciences, U.S. Department of Energy, at the Advanced Photon Source, Argonne National Laboratory under contract number DE-AC02-06CH1135.

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Authors and Affiliations

  1. X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, 9700S. Cass Avenue, Lemont, IL, 60439, USA

    C. J. Benmore

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  1. C. J. Benmore
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Correspondence to C. J. Benmore .

Editor information

Editors and Affiliations

  1. Pharmaceutical Sciences & Clinical Supply, Merck & Co, Inc., West Point, Pennsylvania, USA

    Allen C Templeton

  2. Department of Industrial and Physical Pharmacy, Purdue University, West Lafayette, Indiana, USA

    Stephen R. Byrn

  3. Discovery Pharmaceutics, Bristol-Myers Squibb, Wallingford, Connecticut, USA

    Roy J Haskell

  4. Department of Medicinal Chemistry, University of Kansas School of Pharmacy, Lawrence, Kansas, USA

    Thomas E. Prisinzano

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© 2015 American Association of Pharmaceutical Scientists

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Benmore, C.J. (2015). Advanced X-Ray Analytical Methods to Understand Structure, Properties, and Risk. In: Templeton, A., Byrn, S., Haskell, R., Prisinzano, T. (eds) Discovering and Developing Molecules with Optimal Drug-Like Properties. AAPS Advances in the Pharmaceutical Sciences Series, vol 15. Springer, New York, NY. https://doi.org/10.1007/978-1-4939-1399-2_9

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