Control and Prediction of Solid-State of Pharmaceuticals: Experimental and Compu

Description: Control and Prediction of Solid-State of Pharmaceuticals by Rajni Miglani Bhardwaj 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. FORMAT Hardcover LANGUAGE English CONDITION Brand New Publisher Description 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. Back Cover 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. Table of Contents Introduction.- 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. Feature 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 Details ISBN3319275542 Author Rajni Miglani Bhardwaj Short Title CONTROL & PREDICTION OF SOLID- Series Springer Theses Language English ISBN-10 3319275542 ISBN-13 9783319275543 Media Book Format Hardcover Year 2016 Pages 238 Imprint Springer International Publishing AG Subtitle Experimental and Computational Approaches Place of Publication Cham Country of Publication Switzerland Edition 1st Publisher Springer International Publishing AG Edition Description 1st ed. 2016 Publication Date 2016-02-10 Alternative 9783319801698 DEWEY 615.19 Audience Professional & Vocational Illustrations 77 Illustrations, color; 44 Illustrations, black and white; XXXVII, 238 p. 121 illus., 77 illus. in color. We've got this At The Nile, if you're looking for it, we've got it. With fast shipping, low prices, friendly service and well over a million items - you're bound to find what you want, at a price you'll love! TheNile_Item_ID:98041696;

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