Kinetics and Thermodynamics of Multistep Nucleation and Self-Assembly in Nanoscale Materials, Volume 151
Kinetics and Thermodynamics of Multistep Nucleation and Self-Assembly in Nanoscale Materials, Volume 151

Author: Gregoire Nicolis

Publisher: John Wiley & Sons

Published: 2012-05-22

Total Pages: 352

ISBN-13: 111816783X

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The Advances in Chemical Physics series—the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series presents contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Kinetics and thermodynamics of fluctuation-induced transitions in multistable systems (G. Nicolis and C. Nicolis) Dynamical rare event simulation techniques for equilibrium and nonequilibrium systems (Titus S. van Erp) Confocal depolarized dynamic light scattering (M. Potenza, T. Sanvito, V. Degiorgio, and M. Giglio) The two-step mechanism and the solution-crystal spinodal for nucleation of crystals in solution (Peter G. Vekilov) Experimental studies of two-step nucleation during two-dimensional crystallization of colloidal particles with short-range attraction (John R. Savage, Liquan Pei, and Anthony D. Dinsmore) On the role of metastable intermediate states in the homogeneous nucleation of solids from solution (James F. Lutsko) Effects of protein size on the high-concentration/low-concentration phase transition (Patrick Grosfils) Geometric constraints in the self-assembly of mineral dendrites and platelets (John J. Kozak) What can mesoscopic level in situ observations teach us about kinetics and thermodynamics of protein crystallization? (Mike Sleutel, Dominique Maes, and Alexander Van Driessche) The ability of silica to induce biomimetic crystallization of calcium carbonate (Matthias Kellermeier, Emilio Melero-GarcÍa, Werner Kunz, and Juan Manuel GarcÍa-Ruiz)

Polymorphism in the Pharmaceutical Industry
Polymorphism in the Pharmaceutical Industry

Author: Rolf Hilfiker

Publisher: John Wiley & Sons

Published: 2019-04-29

Total Pages: 512

ISBN-13: 3527340408

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"Polymorphism in the Pharmaceutical Industry - Solid Form and Drug Development" highlights the relevance of polymorphism in modern pharmaceutical chemistry, with a focus on quality by design (QbD) concepts. It covers all important issues by way of case studies, ranging from properties and crystallization, via thermodynamics, analytics and theoretical modelling right up to patent issues. As such, the book underscores the importance of solid-state chemistry within chemical and pharmaceutical development. It emphasizes why solid-state issues are important, the approaches needed to avoid problems and the opportunities offered by solid-state properties. The authors include true polymorphs as well as solvates and hydrates, while providing information on physicochemical properties, crystallization thermodynamics, quantum-mechanical modelling, and up-scaling. Important analytical tools to characterize solid-state forms and to quantify mixtures are summarized, and case studies on solid-state development processes in industry are also provided. Written by acknowledged experts in the field, this is a high-quality reference for researchers, project managers and quality assurance managers in pharmaceutical, agrochemical and fine chemical companies as well as for academics and newcomers to organic solid-state chemistry.

Biological Crystallization
Biological Crystallization

Author: Jaime Gómez Morales

Publisher: MDPI

Published: 2019-09-23

Total Pages: 184

ISBN-13: 3039214039

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For at least six hundred million years, life has been a fascinating laboratory of crystallization, referred to as biomineralization. During this huge lapse of time, many organisms from diverse phyla have developed the capability to precipitate various types of minerals, exploring distinctive pathways for building sophisticated structural architectures for different purposes. The Darwinian exploration was performed by trial and error, but the success in terms of complexity and efficiency is evident. Understanding the strategies that those organisms employ for regulating the nucleation, growth, and assembly of nanocrystals to build these sophisticated devices is an intellectual challenge and a source of inspiration in fields as diverse as materials science, nanotechnology, and biomedicine. However, “Biological Crystallization” is a broader topic that includes biomineralization, but also the laboratory crystallization of biological compounds such as macromolecules, carbohydrates, or lipids, and the synthesis and fabrication of biomimetic materials by different routes. This Special Issue collects 15 contributions ranging from biological and biomimetic crystallization of calcium carbonate, calcium phosphate, and silica-carbonate self-assembled materials to the crystallization of biological macromolecules. Special attention has been paid to the fundamental phenomena of crystallization (nucleation and growth), and the applications of the crystals in biomedicine, environment, and materials science.

Geochemical Rate Models
Geochemical Rate Models

Author: J. Donald Rimstidt

Publisher: Cambridge University Press

Published: 2014

Total Pages: 243

ISBN-13: 110702997X

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An accessible overview of rate models and fundamental kinetic theory, with real-world application examples, for graduate students and professional geochemists.

Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes
Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes

Author: Adam Liwo

Publisher: Springer

Published: 2018-12-19

Total Pages: 849

ISBN-13: 3319958437

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This book provides a comprehensive overview of modern computer-based techniques for analyzing the structure, properties and dynamics of biomolecules and biomolecular processes. It is organized in four main parts; the first one deals with methodology of molecular simulations; the second one with applications of molecular simulations; the third one introduces bioinformatics methods and the use of experimental information in molecular simulations; the last part reports on selected applications of molecular quantum mechanics. This second edition has been thoroughly revised and updated to include the latest progresses made in the respective field of research.

Foundations Of Complex Systems: Emergence, Information And Prediction (2nd Edition)
Foundations Of Complex Systems: Emergence, Information And Prediction (2nd Edition)

Author: Gregoire Nicolis

Publisher: World Scientific

Published: 2012-03-08

Total Pages: 384

ISBN-13: 9814458163

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This book provides a self-contained presentation of the physical and mathematical laws governing complex systems. Complex systems arising in natural, engineering, environmental, life and social sciences are approached from a unifying point of view using an array of methodologies such as microscopic and macroscopic level formulations, deterministic and probabilistic tools, modeling and simulation. The book can be used as a textbook by graduate students, researchers and teachers in science, as well as non-experts who wish to have an overview of one of the most open, markedly interdisciplinary and fast-growing branches of present-day science.

Foundations of Complex Systems
Foundations of Complex Systems

Author: G. Nicolis

Publisher: World Scientific

Published: 2012

Total Pages: 384

ISBN-13: 9814366617

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This book provides a self-contained presentation of the physical and mathematical laws governing complex systems. Complex systems arising in natural, engineering, environmental, life and social sciences are approached from a unifying point of view using an array of methodologies such as microscopic and macroscopic level formulations, deterministic and probabilistic tools, modeling and simulation. The book can be used as a textbook by graduate students, researchers and teachers in science, as well as non-experts who wish to have an overview of one of the most open, markedly interdisciplinary and fast-growing branches of present-day science.

Handbook of Crystal Growth
Handbook of Crystal Growth

Author: Tatau Nishinaga

Publisher: Elsevier

Published: 2014-11-04

Total Pages: 1216

ISBN-13: 0444593764

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Volume IAHandbook of Crystal Growth, 2nd Edition (Fundamentals: Thermodynamics and Kinetics) Volume IA addresses the present status of crystal growth science, and provides scientific tools for the following volumes: Volume II (Bulk Crystal Growth) and III (Thin Film Growth and Epitaxy). Volume IA highlights thermodynamics and kinetics. After historical introduction of the crystal growth, phase equilibria, defect thermodynamics, stoichiometry, and shape of crystal and structure of melt are described. Then, the most fundamental and basic aspects of crystal growth are presented, along with the theories of nucleation and growth kinetics. In addition, the simulations of crystal growth by Monte Carlo, ab initio-based approach and colloidal assembly are thoroughly investigated. Volume IBHandbook of Crystal Growth, 2nd Edition (Fundamentals: Transport and Stability) Volume IB discusses pattern formation, a typical problem in crystal growth. In addition, an introduction to morphological stability is given and the phase-field model is explained with comparison to experiments. The field of nanocrystal growth is rapidly expanding and here the growth from vapor is presented as an example. For the advancement of life science, the crystal growth of protein and other biological molecules is indispensable and biological crystallization in nature gives many hints for their crystal growth. Another subject discussed is pharmaceutical crystal growth. To understand the crystal growth, in situ observation is extremely powerful. The observation techniques are demonstrated. Volume IA - Explores phase equilibria, defect thermodynamics of Si, stoichiometry of oxides and atomistic structure of melt and alloys - Explains basic ideas to understand crystal growth, equilibrium shape of crystal, rough-smooth transition of step and surface, nucleation and growth mechanisms - Focuses on simulation of crystal growth by classical Monte Carlo, ab-initio based quantum mechanical approach, kinetic Monte Carlo and phase field model. Controlled colloidal assembly is presented as an experimental model for crystal growth. Volume IIB - Describes morphological stability theory and phase-field model and comparison to experiments of dendritic growth - Presents nanocrystal growth in vapor as well as protein crystal growth and biological crystallization - Interprets mass production of pharmaceutical crystals to be understood as ordinary crystal growth and explains crystallization of chiral molecules - Demonstrates in situ observation of crystal growth in vapor, solution and melt on the ground and in space

Flow Chemistry
Flow Chemistry

Author: Santiago V Luis

Publisher: Royal Society of Chemistry

Published: 2019-10-18

Total Pages: 560

ISBN-13: 1788014987

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In flow chemistry reactions are performed in a reactor with the reactants pumped through it. It has the benefit of being easily scaled up and it is straightforward to integrate synthesis, workup and analysis into one system. This volume provides an update on recent advances in the field of flow chemistry, with special emphasis on new, integrated approaches for green and efficient chemistry. This book is a valuable resource for researchers in green chemistry, chemical engineers and Industrial chemists working in the pharmaceutical and fine chemicals industries.