國立虎尾科技大學 |

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

Record Type:	Language materials, printed : Monograph/item
Title/Author:	Control and Prediction of Solid-State of Pharmaceuticals / by Rajni Miglani Bhardwaj.
Reminder of title:	Experimental and Computational Approaches /
Author:	Bhardwaj, Rajni Miglani.
Description:	XXXVII, 238 p. 121 illus., 77 illus. in color.online resource. :
Contained By:	Springer Nature eBook
Subject:	Physical chemistry. -
Online resource:	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 /
LDR:02987nam a22004095i 4500 001 977734
003 DE-He213
005 20200706030505.0
007 cr nn 008mamaa
008 201211s2016 gw | s |||| 0|eng d
020 $a 9783319275550 $9 978-3-319-27555-0
024 7 $a 10.1007/978-3-319-27555-0 $2 doi
035 $a 978-3-319-27555-0
050 4 $a QD450-882
072 7 $a PNR $2 bicssc
072 7 $a SCI013050 $2 bisacsh
072 7 $a PNR $2 thema
082 0 4 $a 541 $2 23
100 1 $a Bhardwaj, Rajni Miglani. $4 aut $4 http://id.loc.gov/vocabulary/relators/aut $3 1105716
245 1 0 $a Control and Prediction of Solid-State of Pharmaceuticals $h [electronic resource] : $b Experimental and Computational Approaches / $c by Rajni Miglani Bhardwaj.
250 $a 1st ed. 2016.
264 1 $a Cham : $b Springer International Publishing : $b Imprint: Springer, $c 2016.
300 $a XXXVII, 238 p. 121 illus., 77 illus. in color. $b online resource.
336 $a text $b txt $2 rdacontent
337 $a computer $b c $2 rdamedia
338 $a online resource $b cr $2 rdacarrier
347 $a text file $b PDF $2 rda
490 1 $a Springer Theses, Recognizing Outstanding Ph.D. Research, $x 2190-5053
505 0 $a 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.
520 $a 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.
650 0 $a Physical chemistry. $3 1148725
650 0 $a Pharmaceutical technology. $3 557391
650 0 $a Chemistry, Physical and theoretical. $3 557299
650 1 4 $a Physical Chemistry. $3 668972
650 2 4 $a Pharmaceutical Sciences/Technology. $3 768561
650 2 4 $a Theoretical and Computational Chemistry. $3 670313
710 2 $a SpringerLink (Online service) $3 593884
773 0 $t Springer Nature eBook
776 0 8 $i Printed edition: $z 9783319275543
776 0 8 $i Printed edition: $z 9783319275567
776 0 8 $i Printed edition: $z 9783319801698
830 0 $a Springer Theses, Recognizing Outstanding Ph.D. Research, $x 2190-5053 $3 1253569
856 4 0 $u https://doi.org/10.1007/978-3-319-27555-0
912 $a ZDB-2-CMS
912 $a ZDB-2-SXC
950 $a Chemistry and Materials Science (SpringerNature-11644)
950 $a Chemistry and Material Science (R0) (SpringerNature-43709)