國立虎尾科技大學 |

Control and Prediction of Solid-State of Pharmaceuticals = Experimental and Computational Approaches /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Control and Prediction of Solid-State of Pharmaceuticals / by Rajni Miglani Bhardwaj.
其他題名:	Experimental and Computational Approaches /
作者:	Bhardwaj, Rajni Miglani.
面頁冊數:	XXXVII, 238 p. 121 illus., 77 illus. in color.online resource. :
Contained By:	Springer Nature eBook
標題:	Physical chemistry. -
電子資源:	https://doi.org/10.1007/978-3-319-27555-0
ISBN:	9783319275550

Control and Prediction of Solid-State of Pharmaceuticals = Experimental and Computational Approaches /
Bhardwaj, Rajni Miglani.

Control and Prediction of Solid-State of Pharmaceuticals Experimental and Computational Approaches /[electronic resource] :by Rajni Miglani Bhardwaj. - 1st ed. 2016. - XXXVII, 238 p. 121 illus., 77 illus. in color.online resource. - Springer Theses, Recognizing Outstanding Ph.D. Research,2190-5053. - Springer Theses, Recognizing Outstanding Ph.D. Research,.

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.

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.

ISBN: 9783319275550

Standard No.: 10.1007/978-3-319-27555-0doiSubjects--Topical Terms:

1148725
Physical chemistry.

LC Class. No.: QD450-882

Dewey Class. No.: 541

Control and Prediction of Solid-State of Pharmaceuticals = Experimental and Computational Approaches /
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