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Green Chemistry for Industries: The WAB IMPA°CT REACTOR®: An inductively heated agitator bead mill reactor for continuous mechanochemistry
Get PDFWilly A. Bachofen AG (WAB-GROUP®) is the undisputed specialist in wet milling and dry mixing technology with its agitator bead mills (DYNO®-MILL) and three-dimensional shaker mixers (TURBULA®). For more than 60 years, WAB-GROUP® is setting the standard in quality and innovation for the world of mixing and milling. With our proven and flexible product portfolio, we supportand consult our global customer base from various industries, such as pharmaceuticals, paint and coatings, cosmetics, food, crop protection and many more
COMSOL Multiphysics GmbH
Get PDFCOMSOL: Simulation Drives Understanding
COMSOL Multiphysics® is a general-purpose simulation software used in all fields of engineering, manufacturing, and scientific research. The software offers fully coupled multiphysics and single-physics modeling capabilities, simulation data management, and user-friendly tools for building simulation applications. Spread the value of simulation to your design teams, manufacturing departments, test labs, customers, and other collaborators by distributing your apps using COMSOL Compiler™ and COMSOL Server™. Add-on modules provide specialized functionality for chemical reaction engineering, fluid flow, heat transfer, electromagnetics, structural mechanics, and acoustics. Interfacing products are available for CAD and other third-party software
Kelly Chibale: Learning to Fail Your Way to Success
Get PDFA portrait is given of Professor Kelly Chibale, the driving force behind H3D, the drug discovery and development centre at the University of Cape Town, South Africa. He is dedicated to the development of new drugs to fight infectious diseases of poverty that are prevalent in Africa, including MMV390048, the first anti-malarial drug ever to be validated in a Phase I trial in Africa. In 2018 he was recognized as one of Fortune magazine’s top 50 ‘World’s Greatest Leaders’
Genetic Algorithms for the Discovery of Homogeneous Catalysts
Get PDFIn this account, we discuss the use of genetic algorithms in the inverse design process of homogeneous catalysts for chemical transformations. We describe the main components of evolutionary experiments, specifically the nature of the fitness function to optimize, the library of molecular fragments from which potential catalysts are assembled, and the settings of the genetic algorithm itself. While not exhaustive, this review summarizes the key challenges and characteristics of our own (i.e., NaviCatGA) and other GAs for the discovery of new catalysts
Can AI Help Improve Water Quality? Towards the Prediction of Degradation of Micropollutants in Wastewater
Get PDFMicropollutants have become a serious environmental problem by threatening ecosystems and the quality of drinking water. This account investigates if advanced AI can be used to find solutions for this problem. We review background, the challenges involved, and the current state-of-the-art of quantitative structure-biodegradation relationships (QSBR). We report on recent progress combining experiment, quantum chemistry (QC) and chemoinformatics, and provide a perspective on potential future uses of AI technology to help improve water quality