This comprehensive resource skillfully consolidates crystal engineering, the design of organic solids, and supramolecular synthons (i.e., structural hydrogen bond units) to achieve desired pharmaceutical properties, including solubility, dissolution, bioavailability, permeability, particle size, tableting, hydration, and mechanical strength. Covering 30 years of crystal engineering developments and pharmaceutical applications, this book will be a single and complete resource for supramolecular and structural chemists, the crystal engineering community, pharmaceutical scientists, and industrial researchers. Key Features Covers the fundamentals of crystal engineering and supramolecular synthons. Details the challenges of low solubility and low permeability facing oral drug formulations. Explains how heterosynthons provide a rational approach to address and implement solutions. Provides case studies from academic and industrial labs to walk the reader through the actual steps. Explores developments in the scale up and manufacture of crystal forms in pharmaceutical industry.
Hot Topics in Crystal Engineering covers the design and synthesis of single crystalline solid-state materials, their properties and applications, focusing on the understanding and use of intermolecular interactions that constitute single crystalline materials. Many of the most modern materials, such as metal-organic frameworks (MOFs) capable of gas storage and separation, and selective entrapment of harmful substances, are the result of the rational use of crystal engineering. Topics covered in this work highlight breakthroughs in this rapidly developing field. This work offers a carefully chosen cross-section of the latest developments, some in their early infancy and some covered for the first time. - Provides comprehensive and authoritative articles, giving readers access to a wealth of information to fully support their research and activities - Covers the latest developments in crystal engineering, including topics which are in their early infancy - Written by leading international experts
Presents a detailed discussion of important solid-state properties, methods, and applications of solid-state analysis Illustrates the various phases or forms that solids can assume and discussesvarious issues related to the relative stability of solid forms and tendencies to undergo transformation Covers key methods of solid state analysis including X-ray powder diffraction, thermal analysis, microscopy, spectroscopy, and solid state NMR Reviews critical physical attributes of pharmaceutical materials, mainly related to drug substances, including particle size/surface area, hygroscopicity, mechanical properties, solubility, and physical and chemical stability Showcases the application of solid state material science in rational selection of drug solid forms, analysis of various solid forms within drug substance and the drug product, and pharmaceutical product development Introduces appropriate manufacturing and control procedures using Quality by Design, and other strategies that lead to safe and effective products with a minimum of resources and time
From crystal structure prediction to totally empirical screening, the quest for new crystal forms has become one of the most challenging issues in the solid state science and particularly in the pharmaceutical world. In this context, multi-component crystalline materials like co-crystals have received renewed interest as they offer the prospect of optimized physical properties. As illustrated in this first book_ entirely dedicated to this emerging class of pharmaceutical compounds_ the outcome of such endeavours into crystal engineering have demonstrated clear impacts on production, marketing and intellectual property protection of active pharmaceutical ingredients (APIs). Indeed, co-crystallization influences relevant physico-chemical parameters (such as solubility, dissolution rate, chemical stability, melting point, hygroscopicity, à) and often offers solids with properties superior to those of the free drug. Combining both reports of the latest research and comprehensive overviews of basic principles, with contributions from selected experts in both academia and industry, this unique book is an essential reference, ideal for pharmaceutical development scientists and graduate students in pharmaceutical science.
This book discusses the theoretical and practical aspects required to formulate conventional drug dosage forms and advanced technology-based therapeutics. It is organized into four sections: “Preformulation”, “Formulation Design and Approaches”, “Characterization and Analysis”, and “Cocrystal Engineering”. The approaches discussed enhance the overall quality of treatment and overcome the side effects of available therapies. The book is a collection of scholarly literature relevant to pharmaceutical technology and existing pharmaceutical technologies. It is a useful reference for industrial personnel working on developing novel pharmaceutical dosage forms.
Using clear and practical examples, Polymorphism of Pharmaceutical Solids, Second Edition presents a comprehensive examination of polymorphic behavior in pharmaceutical development that is ideal for pharmaceutical development scientists and graduate students in pharmaceutical science. This edition focuses on pharmaceutical aspects of polymorphism a
This book highlights the intrinsic structures of all kinds of energetic compounds and some structure–property relationships therein. Energetic materials are a class of energy materials that can transiently release a large amount of gases and heat by self-redox after stimulated and usually refer to explosives, propellants and pyrotechnics. Nowadays, in combination with various theories and simulation-aided material design technologies, many new kinds of energetic materials like energetic extended solids, energetic ionic salts, energetic metal organic frames, energetic co-crystals and energetic perovskites have been created, in addition to traditional energetic molecular crystals. It is somewhat dazzling, and an issue of how we can understand these new types of energetic materials is raised. In the past about 20 years, we were immersed in the computational energetic materials. By means of defining a concept of intrinsic structures of energetic materials, which refers to the crystal packing structure of energetic materials, as well as molecule for molecular solid specially, the microscopic structures have been mostly clarified, and related with many macroscopic properties and performances, with molecular simulations. This book presents our understanding about it. Thereby, a simply and new way to readily understand energetic materials is expected to be paved, based on this book. It contains energetic molecular crystals, energetic ionic crystals, energetic atomic crystals, energetic metallic crystals and energetic mixed-type crystals and the substructures closest to crystal packing. Meanwhile, the common intermolecular interactions in energetic crystals will be introduced. In addition, theoretical and simulation methods for treating the intrinsic structures will be briefed, as they are the main tools to reveal the molecules and crystals. Besides, the polymorphism as a level of intrinsic structures will be briefly discussed. In the final of this book, we introduce the crystal engineering of energetic materials. This book features the first proposal of intrinsic structure and crystal engineering of energetic materials and the understanding of the properties and performances of energetic materials by maintaining a concept that structure determines property. It helps to promote the rationality in creating new energetic materials, rather than increase experience.
A one-stop resource for researchers, developers, and post graduate students in pharmaceutical science. This handbook and ready reference provides detailed, but not overloaded information -- presenting the topic without unnecessarily complex formalism. As such, it gives a systematic and coherent overview of disordered materials for pharmaceutical applications, covering fundamental aspects, as well as preparation and characterization techniques for the target-oriented development of drug delivery systems based on disordered crystals and amorphous solids. Special attention is paid to examine the different facets and levels of disorder in their structural and dynamic aspects as well as the effect of disorder on dissolution and stability. Chapters on processing induced disorder and on patenting issues round off the book. As a result the book helps overcoming the challenges of using these materials in the pharmaceutical industry. For pharmaceutical and medicinal chemists, materials scientists, clinical physicists, and pharmaceutical laboratories looking to make better and more potent pharmaceuticals.
HANDBOOK OF PYRROLIDONE AND CAPROLACTAM BASED MATERIALS Brings together, for the first time, a comprehensive review of all aspects of pyrrolidone- and caprolactam-based materials This comprehensive, six-volume set describes the broad technical universe of γ- and ε- lactams, reviewing in-depth the chemistry of the small lactam-based molecules, uncovering their unique properties and showing how they have enabled a myriad of commercially important applications. From synthesis, through production and into applications, this extensive work targets significant and recent trends in γ- and ε-lactam science and technology and addresses all key aspects of pyrrolidone- and caprolactam-based materials to produce a definitive overview of the field. Handbook of Pyrrolidone and Caprolactam Based Materials provides a detailed and modern portrait of the impact of pyrrolidone- and caprolactam-based materials on the world, as well as potential future possibilities. Volume One presents the chemistry of small lactam-based molecules and uncovers their unique properties. Volume Two covers polymeric materials, including polyvinyl pyrrolidone and polyvinyl caprolactam, and reviews homopolymerization, copolymerization, controlled radical polymermization and acrylate based pyrrolidone polymerizations. Volume Three examines the physical chemistry and molecular interactions of pyrrolidone and caprolactam based materials. Volume Four expands upon the characterization theme from the third volume, and includes detailed discussions of nuclear magnetic resonance (NMR) and Fourier transform-infrared (FT-IR) spectroscopy, thermal and mechanical properties, and imaging techniques. Volume Five explores pharmaceutical applications in both ingredients and materials, as well as the antimicrobial properties and applications of pyrrolidone and caprolactam-based materials, and their toxicology. Volume Six covers personal and home care, skin care, transdermal applications and wound care, oral care, adhesion related applications and digital applications such as inkjet technology. Handbook of Pyrrolidone and Caprolactam Based Materials will appeal to industrial scientists and engineers interested in polymer development and manufacturing. It will also benefit academic researchers working in the fields of chemistry, materials science, and chemical and process engineering.
In this volume, contributions covering the theoretical and practical aspects of multicomponent crystals provide a timely and contemporary overview of the state-of-the art of this vital aspect of crystal engineering/materials science. With a solid foundation in fundamentals, multi-component crystals can be formed, for example, to enhance pharmaceutical properties of drugs, for the specific control of optical responses to external stimuli and to assemble molecules to allow chemical reactions that are generally intractable following conventional methods. Contents Pharmaceutical co-crystals: crystal engineering and applications Pharmaceutical multi-component crystals: improving the efficacy of anti-tuberculous agents Qualitative and quantitative crystal engineering of multi-functional co-crystals Control of photochromism in N-salicylideneaniline by crystal engineering Quinoline derivatives for multi-component crystals: principles and applications N-oxides in multi-component crystals and in bottom-up synthesis and applications Multi-component crystals and non-ambient conditions Co-crystals for solid-state reactivity and thermal expansion Solution co-crystallisation and its applications The salt-co-crystal continuum in halogen-bonded systems Large horizontal displacements of benzene-benzene stacking interactions in co-crystals Simultaneous halogen and hydrogen bonding to carbonyl and thiocarbonylfunctionality Crystal chemistry of the isomeric N,N’-bis(pyridin-n-ylmethyl)-ethanediamides, n = 2, 3 or 4 Solute・solvent interactions mediated by main group element (lone-pair)・・・π(aryl) interactions
