Control and Prediction of Solid-State of Pharmaceuticals

Lieferzeit: Lieferbar innerhalb 14 Tagen

106,99 

Experimental and Computational Approaches, Springer Theses

ISBN: 3319275542
ISBN 13: 9783319275543
Autor: Bhardwaj, Rajni Miglani
Verlag: Springer Verlag GmbH
Umfang: xxxvii, 238 S., 44 s/w Illustr., 77 farbige Illustr., 238 p. 121 illus., 77 illus. in color.
Erscheinungsdatum: 10.02.2016
Auflage: 1/2016
Produktform: Gebunden/Hardback
Einband: GEB

This thesis investigates a range of experimental and computational approaches to the discovery of solid forms. It illustrates an inexpensive, practical and accurate way to predict the crystallizability of organic compounds based on molecular structure alone, while also highlighting the molecular factors that inhibit or promote crystallization. Furthermore, readers will gain a better understanding of the key factors underpinning solid-state structure and diversity. A major part of the thesis highlights experimental work carried out on two structurally very similar compounds, while another main section examines the influence of small changes in structure and substituents on solid-state structure and diversity using computational tools including crystal structure prediction, PIXEL calculations, Xpac, Mercury and statistical modelling tools. In closing, 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.

Artikelnummer: 8754198 Kategorie:

Beschreibung

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.

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