Incorporating Green Chemistry Concepts into Mobile Chemistry Applications and Their Potential Uses

Sean Ekins,Alex M Clark,Antony J Williams

doi:10.1021/sc3000509

Sean Ekins, Alex M Clark + Show 1 more

Open Access

https://doi.org/10.1021/sc3000509

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Abstract

Green Chemistry related information is generally proprietary, and papers on the topic are commonly behind pay walls that limit their accessibility. Several new mobile applications (apps) have been recently released for the Apple iOS platform, which incorporate green chemistry concepts. Because of the large number of people who now own a mobile device across all demographics, this population represents a highly novel way to communicate green chemistry, which has not previously been appreciated. We have made the American Chemical Society Green Chemistry Institute (ACS GCI) Pharmaceutical Roundtable Solvent Selection Guide more accessible and have increased its visibility by creating a free mobile app for the Apple iOS platform called Green Solvents. We have also used this content for molecular similarity calculations using additional solvents to predict potential environmental and health categories, which could help in solvent selection. This approach predicted the correct waste or health class for over 60%...

Highlights

One mission of the chemicals industry is to discover and develop products that are useful for global populations, without damaging the environment
While the focus of this work is on the development of the Green Solvents app that is freely available, we have accumulated considerable data that can be used for inference of solvent classification for categories important for green chemistry
Solvent selection is key in determining the sustainability of future commercial production as solvents can make up greater than 50% of materials used in the manufacture of bulk active pharmaceutical ingredients.[4]

Summary

Introduction

One mission of the chemicals industry is to discover and develop products that are useful for global populations, without damaging the environment. Green Chemistry is “the utilization of a set of principles that reduces or eliminates the use or generation of hazardous substances in the design, manufacture, and application of chemical products”.1. The pharmaceutical industry has the goal of improving the health of people throughout the world and, through various green chemistry initiatives, is committed to ensuring a healthy environment. There are many challenges associated with supporting a healthy environment as the majority of pharmaceutical molecules require multiple complex synthetic steps to produce. It is important to design a green process as early as possible when the cost is lower and the quantities of chemicals made are relatively small compared to when they are dramatically scaled up for manufacturing. Much of the focus has been on optimizing material and energy use, preventing and minimizing waste, increasing use of renewable materials and energy, having safe processes, and eliminating or minimizing the use of hazardous chemicals

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