Springer Theses

Control and Prediction of Solid-State of Pharmaceuticals

Experimental and Computational Approaches

Authors: Bhardwaj, Rajni Miglani

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  • Nominated as an outstanding PhD thesis by the University of Strathclyde Demonstrates the value of combined experimental and computational approaches for a better understanding of the key factors underpinning solid-state structures and diversity in four pharmaceutical compounds Details an effective methodology for high-throughput crystallization and analysis for solid-state form screening using 48/96 multi-well plates and Raman spectroscopy Reports for the first time on the prediction of crystallizability using the random forest statistical modelling technique 

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eBook $129.00
price for USA in USD (gross)
  • ISBN 978-3-319-27555-0
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Hardcover $169.99
price for USA in USD
  • ISBN 978-3-319-27554-3
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Softcover $169.99
price for USA in USD
  • ISBN 978-3-319-80169-8
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  • Usually dispatched within 3 to 5 business days.
About this book

This thesis investigates a range of experimental and computational approaches for the discovery of solid forms. Furthermore, we gain, as readers, a better understanding of the key factors underpinning solid-structure and diversity. A major part of this thesis highlights experimental work carried out on two structurally very similar compounds. Another important section involves looking at the influence of small changes in structure and substituents on solid-structure and diversity using computational tools including crystal structure prediction, PIXEL calculations, Xpac, Mercury and statistical modeling tools. In addition, the author presents a fast validated method for solid-state form screening using Raman microscopy on multi-well plates to explore the experimental crystallization space. This thesis illustrates an inexpensive, practical and accurate way to predict the crystallizability of organic compounds based on molecular structure alone, and additionally highlights the molecular factors that inhibit or promote crystallization.

 

Table of contents (8 chapters)

Table of contents (8 chapters)

Buy this book

eBook $129.00
price for USA in USD (gross)
  • ISBN 978-3-319-27555-0
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $169.99
price for USA in USD
  • ISBN 978-3-319-27554-3
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $169.99
price for USA in USD
  • ISBN 978-3-319-80169-8
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Control and Prediction of Solid-State of Pharmaceuticals
Book Subtitle
Experimental and Computational Approaches
Authors
Series Title
Springer Theses
Copyright
2016
Publisher
Springer International Publishing
Copyright Holder
Springer International Publishing Switzerland
eBook ISBN
978-3-319-27555-0
DOI
10.1007/978-3-319-27555-0
Hardcover ISBN
978-3-319-27554-3
Softcover ISBN
978-3-319-80169-8
Series ISSN
2190-5053
Edition Number
1
Number of Pages
XXXVII, 238
Number of Illustrations
44 b/w illustrations, 77 illustrations in colour
Topics