October 11, 2024
by Baljit Bains, Marketing Communications Specialist, ACD/Labs
Green Chemistry Meets Chromatography
Chromatography is key for separating and analyzing complex mixtures, and it’s used in everything from pharmaceuticals to environmental science. Chromatographic separations are essential for research and development, but they can have a significant environmental impact.
With the push for sustainability growing stronger, chromatography is stepping up. The 12 Principles of Green Chemistry by Paul Anastas and John Warner aim to cut down the environmental toll of chemical processes. By adapting green chemistry principles to chromatography, we can make a big difference in reducing the environmental footprint of analytical labs.
How to Approach Sustainability in Analytical Labs
To enhance the sustainability of analytical labs, several strategies that align with green chemistry principles can be employed.
Safer Solvents and Auxiliaries—Solvent Reduction and Replacement
Safer solvents are highlighted as one of the 12 Principles of Green Chemistry. Solvents are used in huge quantities in the chromatographic processes. There are three areas that contribute to the environmental impact of solvents—the source/synthesis, solvent properties, and disposal. Appropriate solvent selection is crucial to limit the environmental impact of these products.
An effective way to make chromatography greener is by reducing the volume of solvents used. While it would be ideal to use methods that do not require solvents, this is not always possible, as they can lack selectivity and sensitivity.
In these cases, replacing “non-green” solvents with “greener” alternatives can also help to minimize the environmental impact. Water, supercritical fluids, and ionic liquids are among some of the “green” solvents. To help simplify the solvent selection process, the pharmaceutical industry has released solvent selection guides, for example ACS GCI-PR. It is important to remember that a “greener” solvent is not always going to result in a more sustainable process, there are many factors that must be considered in this complicated process.
Design for Energy Efficiency
The 12 Principles of Green Chemistry states that energy requirements should be minimized. Energy is consumed throughout chemical and pharmaceutical processes, contributing to the environmental footprint.
Solvent removal represents a significant proportion of energy consumption, underscoring the importance of appropriate solvent selection. Additionally, using energy-efficient instruments, such as ultra-high-performance liquid chromatography (UHPLC), increases the efficiency of the separation process, reducing the overall run time which can significantly reduce energy consumption.
The energy consumption associated with maintaining the necessary temperatures and pressures for these processes also contributes to their environmental footprint. Running experiments at ambient temperatures and pressures by optimizing heating and cooling systems is necessary to reduce energy consumption.
Prevention
In line with the 12 Principles of Green Chemistry, waste prevention is preferred over treating/cleaning after it has been created. Developing methods that require smaller sample sizes and generate less waste can contribute towards greener chromatography. Using predictive software tools to create and optimize methods in silico helps to prevent waste by reducing unnecessary and trial-and-error experimentation.
Using Software Tools for Sustainable Chromatography
Software is crucial for green chromatography, helping predict and optimize methods with fewer experiments. These tools can design and refine methods that follow green principles, making chromatographic experiments more sustainable.
Utilizing predictive software tools can optimize chromatographic conditions in silico before actual experimentation. This approach reduces the need for trial-and-error testing that generates waste—saving both resources and time.
Minimizing Unnecessary Experiments with Predictive Technology
Understanding a molecule’s properties helps predict its behavior, reducing the need for trial-and-error experimentation. Tools like PhysChem Suite use complex algorithms to predict properties like logP, logD, and pKa. This systematic approach helps quickly identify the best chromatographic parameters, cutting down on unnecessary runs, saving resources, and reducing waste.
Read about the Importance of Physicochemical Properties in Drug Design.
Reducing Waste and Saving Time with In Silico Modeling
Method development software like AutoChrom® helps optimize chromatographic conditions (like gradient, pH, etc.) using 1D, 2D, or 3D models for better peak separation. By fine-tuning these parameters in silico, scientists can quickly select methods that meet their defined success criteria. They can develop better methods with fewer injections—reducing wear on instruments and columns, and saving time, energy, and resources.
Matt Osborne shares some insight in his presentation about efficient, sustainable method development at AstraZeneca.
Improving Sustainability with Better Data Management
Labs often have unstructured, siloed data from different instruments and vendors, leading to errors and duplicated experiments. Good data integration and management are crucial for sustainability. Tools within the Spectrus platform standardize various file formats and data types, making data easier to process and analyze. Centralized, searchable databases containing live analytical and chemical information (i.e., methods, structures, metadata, etc.) enable informed decisions, preserve knowledge, and support reproducible research.
Read about The Role of Data in the Pharmaceutical Lifecycle.
The Role of AI in Boosting Sustainability
Quality data is key to making the most of AI. Databases created with Spectrus applications are ready for AI and ML use. As datasets grow, efficient data analysis becomes vital. Preparing data for advanced tools speeds up the prediction and optimization of in silico experiments.
Learn how to Create Better Treatments with AI.
Moving Towards Greener Labs with Sustainable Chromatography
As the pressure to reduce the environmental impact of analytical labs continues to increase, it is essential to implement green chemistry principles. Green chromatography practices can minimize the environmental impact of labs without sacrificing efficiency and accuracy. Enhanced software tools like predictive technology and in silico modeling help scientists to use resources responsibly, by conducting fewer experiments, and manage data effectively. Integrating these tools into workflows lets scientists handle, analyze, and draw insights from comprehensive data while reducing duplicate experiments and preserving knowledge. By embracing green chromatography, scientists can contribute to a more sustainable future.
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