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OverviewThis 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. Full Product DetailsAuthor: Rajni Miglani BhardwajPublisher: Springer International Publishing AG Imprint: Springer International Publishing AG Edition: Softcover reprint of the original 1st ed. 2016 Dimensions: Width: 15.50cm , Height: 1.50cm , Length: 23.50cm Weight: 0.454kg ISBN: 9783319801698ISBN 10: 3319801694 Pages: 238 Publication Date: 30 March 2018 Audience: Professional and scholarly , Professional & Vocational Format: Paperback Publisher's Status: Active Availability: Manufactured on demand  We will order this item for you from a manufactured on demand supplier. Table of ContentsIntroduction.- Aims and Objectives.- Materials and Methods.- Development and Validation of High_Throughput Crystallization and Analysis (HTCAA) Methodology for Physical Form Screening.- Predicting Crystallizability of Organic Molecules using Statistical Modelling Techniques.- Exploring Crystal Structure Landscape of Olanzapine.- Exploring the Physical Form Landscape of Clozapine, Amoxapine and Loxapine.- Conclusions and Further Work.ReviewsAuthor InformationTab Content 6Author Website:Countries AvailableAll regions |
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