发布求助
文献互助 智能选刊 最新文献

Polymorphism in Molecular Crystals最新文献

筛选
英文 中文
Fundamentals 基本面
Polymorphism in Molecular Crystals Pub Date : 2020-05-14 DOI: 10.1093/oso/9780199655441.003.0002
J. Bernstein
{"title":"Fundamentals","authors":"J. Bernstein","doi":"10.1093/oso/9780199655441.003.0002","DOIUrl":"https://doi.org/10.1093/oso/9780199655441.003.0002","url":null,"abstract":"The physical and structural fundamentals of polymorphism are introduced, including a review of the phase rule and the thermodynamic relations in polymorphs. The latter are used to introduce energy–temperature diagrams, leading to the definition of the concepts enantiotropism and monotropism describing the thermodynamic relationships between and among polymorphs with appropriate examples. The alternate representation of phase diagram in terms of pressure and temperature is also presented. These lead to a number of rules regarding the relationships between polymorphs and ways to understand and predict some important physical properties: the heat-of-transition rule, the heat-of-fusion rule, the entropy-of-fusion rule, the heat-capacity rule, the density rule, and the infrared rule. Structural aspects include the distinction between crystal form and crystal habit and methods for characterizing and comparing structures in polymorphic systems. Current developments are discussed that deal with the ramifications of nanoscale situations on structural concepts and thermodynamic relationships.","PeriodicalId":133285,"journal":{"name":"Polymorphism in Molecular Crystals","volume":"170 3","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2020-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"113997641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Introduction and historical background 简介及历史背景
Polymorphism in Molecular Crystals Pub Date : 2007-12-13 DOI: 10.1093/ACPROF:OSO/9780199236565.003.0001
J. Bernstein
{"title":"Introduction and historical background","authors":"J. Bernstein","doi":"10.1093/ACPROF:OSO/9780199236565.003.0001","DOIUrl":"https://doi.org/10.1093/ACPROF:OSO/9780199236565.003.0001","url":null,"abstract":"Chapter 1 provides an introduction to the subject of polymorphism in molecular crystals, including definitions, terminology, nomenclature, and historical development of the subject since the first recognition of the phenomenon in 1823. Topics covered include the difficulty in establishing a database for statistical study of polymorphism, the frequency of occurrence of polymorphism, the literature sources of polymorphic compounds, and literature sources of examples of polymorphism, that is, Cambridge Structural Database, Powder Diffraction File, the patent literature, and the scientific literature. Statistics on crystal polymorphism among the elements in inorganic compounds and macromolecular (i.e., biological) molecules precede the historical perspective. The chapter closes with a brief survey of the commercial importance of polymorphism.","PeriodicalId":133285,"journal":{"name":"Polymorphism in Molecular Crystals","volume":"83 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2007-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125703678","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Polymorphism and patents 多态性与专利
Polymorphism in Molecular Crystals Pub Date : 2007-12-13 DOI: 10.1093/acprof:oso/9780199236565.003.0010
J. Bernstein
{"title":"Polymorphism and patents","authors":"J. Bernstein","doi":"10.1093/acprof:oso/9780199236565.003.0010","DOIUrl":"https://doi.org/10.1093/acprof:oso/9780199236565.003.0010","url":null,"abstract":"A brief introduction to patents is followed by a discussion of the two main issues of patents on (pharmaceutical) polymorphs from the scientific perspective: novelty and obviousness, with an emphasis on the latter. The issues, decisions, and ramifications of six landmark patent litigations involving solid forms are described. These involved the following drugs: cefadroxil, terazosin hydrochloride, ranitidine hydrochloride, paroxetine hydrochloride, armodafinil, and tapentadol hydrochloride. The chapter closes with a description of the litigation on the synthetic sweetener aspartame which involved an issue of habit (shape) rather than the form (crystal structure).","PeriodicalId":133285,"journal":{"name":"Polymorphism in Molecular Crystals","volume":"87 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2007-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116962833","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Polymorphism and structure–property relations 多态性与结构-性质关系
Polymorphism in Molecular Crystals Pub Date : 2007-12-13 DOI: 10.1093/ACPROF:OSO/9780199236565.003.0006
J. Bernstein
{"title":"Polymorphism and structure–property relations","authors":"J. Bernstein","doi":"10.1093/ACPROF:OSO/9780199236565.003.0006","DOIUrl":"https://doi.org/10.1093/ACPROF:OSO/9780199236565.003.0006","url":null,"abstract":"Chapter 6 deals with the connection between the structure and properties of solids as revealed and studied in polymorphic systems. The subject is divided into properties that depend on the one hand on the bulk—that is, the three-dimensional arrangement of the molecules and the interactions among them—and on the other hand the consideration of the crystal as an “oriented gas” serving to act as a matrix for the molecules to permit the study of molecular properties. Among the properties described in the former category are electrical conductivity, organic magnetic materials, photovoltaicity and photoconductivity, second harmonic generation, chromoisomerism, photochromism, thermochromism and mechanochromism, and the mechanosalient effect. The latter category includes a discussion of spectroscopic studies (infrared, Raman, and ultraviolet/visible), excimer phenomena, time-resolved studies of excited states, photochemical reactions and thermal and gas reactions, along with a variety of emission phenomena. The chapter closes with a brief survey of rapidly emerging and developing high pressure studies","PeriodicalId":133285,"journal":{"name":"Polymorphism in Molecular Crystals","volume":"8 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2007-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127456434","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Polymorphism of pharmaceuticals 药物多态性
Polymorphism in Molecular Crystals Pub Date : 2007-12-13 DOI: 10.1093/ACPROF:OSO/9780199236565.003.0007
J. Bernstein
{"title":"Polymorphism of pharmaceuticals","authors":"J. Bernstein","doi":"10.1093/ACPROF:OSO/9780199236565.003.0007","DOIUrl":"https://doi.org/10.1093/ACPROF:OSO/9780199236565.003.0007","url":null,"abstract":"Chapter 7 deals with polymorphism in pharmaceuticals. Following a discussion of the problem of determining the statistics of the occurrence of polymorphism in pharmaceuticals, I present a discussion and examples of the connection between polymorphism and the rate of dissolution and solubility, bioavailability, and the importance of phase changes and mixtures of forms in pharmaceutical preparations. I survey some of the considerations and techniques involved in screening for crystal forms: solvent selection, specific screening for solvates and hydrates, gel crystallization, crystallization in ionic liquids, the challenge of difficult to obtain stable forms and unstable new forms, and the outlook on new techniques and conditions for crystallization. The chapter also deals with polymorphism in pharmaceutical co-crystals, excipients, and amorphous forms and the importance and utility of chemical microscopy in the study of polymorphism of pharmaceuticals.","PeriodicalId":133285,"journal":{"name":"Polymorphism in Molecular Crystals","volume":"26 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2007-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123845722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
Polymorphism of high energy materials 高能材料的多态性
Polymorphism in Molecular Crystals Pub Date : 2007-12-13 DOI: 10.1093/ACPROF:OSO/9780199236565.003.0009
J. Bernstein
{"title":"Polymorphism of high energy materials","authors":"J. Bernstein","doi":"10.1093/ACPROF:OSO/9780199236565.003.0009","DOIUrl":"https://doi.org/10.1093/ACPROF:OSO/9780199236565.003.0009","url":null,"abstract":"The intimate connection between structure and properties is particularly acute in establishing the effectiveness and safety of high energy materials based on molecular compounds: chemical and physical stability, shelf-life, sensitivity to shock, pressure, and temperature. Compared to other classes of compounds treated in the book for which the polymorphs with less suitable properties are not chosen for use, and thus relegated to lower importance, for high energy materials the risks and dangers of lack of familiarity and control of the polymorphic system can entail considerable long-term risks. The chapter is divided into two major sections distinguishing between aliphatic materials and the aromatic materials, commonly known by their alphabetic moniker. Throughout the chapter the history of the development of many of these materials is provided, including some rather obscure references culled from formerly classified government research reports. A detailed discussion of the classic enigmatic polymorphism of trinitrotoluene (TNT) is presented.","PeriodicalId":133285,"journal":{"name":"Polymorphism in Molecular Crystals","volume":"62 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2007-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"114933344","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：604180095
Book学术官方微信