Development And Applications In Solubility
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Development and Applications in Solubility
Author: Trevor M. Letcher
language: en
Publisher: Royal Society of Chemistry
Release Date: 2007
Solubility is fundamental to most areas of chemistry and is one of the most basic of thermodynamic properties. It underlies most industrial processes. Bringing together the latest developments and ideas, Developments and Applications in Solubility covers many varied and disparate topics. The book is a collection of work from leading experts in their fields and covers the theory of solubility, modelling and simulation, industrial applications and new data and recent developments relating to solubility. Of particular interest are sections on: experimental, calculated and predicted solubilities; solubility phenomena in 'green' quaternary mixtures involving ionic liquids; molecular simulation approaches to solubility; solubility impurities in cryogenic liquids and carbon dioxide in chemical processes. The book is a definitive and comprehensive reference to what is new in solubility and is ideal for researcher scientists, industrialists and academics
Advances in the development and application of deep eutectic solvents
Author: Maria Luisa Di Gioia
language: en
Publisher: Frontiers Media SA
Release Date: 2024-02-09
The continuous effort to perform a more sustainable chemistry has led to the development of new materials that accomplish the principles of green chemistry. In this context, deep eutectic solvents (DESs) have arisen as a new generation of solvents that respond well to most of the characteristics that an ideal green solvent must possess: they are easy and cheap to prepare, stable, easy to handle (they show chemical stability, non-flammability and conductivity), separable from the reaction products, biodegradable and safe for both humans and the environment. At the same time, they show chemical-physical properties similar to ionic liquids, such as low volatility, conductivity and high solvent power. These characteristics mean that DESs are today classified as 2-st century solvents. DESs have been raising a lot of attention and a sharp increase of their applications in numerous sectors of chemistry: they are mainly used as alternative solvents and/or catalysts for various organic transformations including metal-catalyzed reactions, biotransformations, polymerization, in sample preparation and analytical techniques as well as in the design of pharmaceutical formulations and drug delivery systems.
Applications of Computational Tools in Drug Design and Development
Author: S.N. Koteswara Rao G.
language: en
Publisher: Springer Nature
Release Date: 2025-05-20
This book provides a comprehensive overview of the role of computers and computational tools at different stages of drug discovery and development. Designed to meet the needs of a beginner to advanced learner, the book provides the information on the tools, how they work, with the latest reports on applications in drug design, drug delivery and building network pharmacology models. Part I explores the pharmacological aspects, covering computational simulation of drug delivery at the molecular level, modeling for formulation design, and the revolutionary use of computational fluid dynamics in pharmaceutical processes. Specific applications such as pharmaceutical die filling processes, inhalation aerosol-based targeted drug delivery, and the development of inhalation compounds using in silico modeling tools are discussed. The use of computational tools in cheminformatics and their application in preformulation perspectives for drug delivery are also included. Part II expands the scope to include solubility prediction, absorption prediction, protein binding prediction, bio-permeability prediction, toxicity prediction, and metabolism prediction. It covers the identification of potential sites of metabolism in lead molecules and computer-assisted simulation studies to understand drug-polymer interactions. Recent advances in drug likeness screening using software and online tools are also reviewed. Part III focuses on specific therapeutic areas. The chapters examine the mechanistic understanding of anti-Alzheimer's agents, the design of novel antidiabetic agents, and the exploration of drug design for atherosclerosis. It also covers modern computational intelligence-based drug repurposing for cancer therapeutics, computational analyses of the mechanism of action of antiepileptic agents, and rational approaches for designing antihypertensive agents. The final chapters explore drug discovery and computational strategies in the context of multi-drug-resistant tuberculosis and the network pharmacology approach to uncover the pharmacological mechanisms of natural products. The book will be a useful reference for researchers, students and professionals in the field of life sciences, chemistry, pharmaceutics and bioinformatics.