Natural compounds extracted from shrimp shells can become an efficient weapon against arsenic and lead pollution which are major environmental problems in Guatemalan waters. The finding has been made by a group of researchers and students from Universidad del Valle de Guatemala (UVG). Following promising pilot tests, the group is now using supercomputing to better understand the mechanisms involved and prepare for larger implementation of the method.
The project began in 2024, when the group applied chitosan nanoparticles to capture lead, arsenic, and other heavy metals present in water. Chitosan is a biodegradable substance extracted from shrimp shells.
Based on the pilot test results, the team has been granted time on the high-performance computing (HPC) testbed of the BELLA II project led by RedCLARA, the regional research and education network for Latin America.
Complex computational chemistry
The team worked with 3D models of molecules and applied supercomputing to calculate how electrons move and bind within those molecules and how they interact with nearby molecules. The main molecule is a polymer extracted from shrimp shells, and the goal was to understand how it binds to contaminants such as arsenic, which is highly present in Guatemala’s water.
These calculations are extremely complex, especially because the molecules are large (around 350 atoms), but thanks to the supercomputing resources, they were able to run them quickly. With this tool, they calculated the forces that allow the polymer to trap contaminants, helping to explain how it cleans the water.
“The BELLA II testbed was fundamental for running complex simulations quickly and accurately, which enabled us to move forward and validate this technology. What we completed in six months would have taken 12 to 18 months without the BELLA II HPC platform, due to the high computational load. Having this tool accelerated the process and helped us obtain results,” says Allan Vásquez, Professor at UVG.
Value from a waste product
Although the project was developed at a pilot scale, it is part of a broader plan.
“In a second or third phase, we aim to scale the technology for implementation in communities, municipalities, and private companies—such as those producing purified water—with the ultimate goal of improving water quality and people’s well-being,” Vásquez explains.
For RedCLARA, the project was a valuable opportunity to apply technology with real-world impact.
“It was important to allocate resources to an initiative with high social and environmental value. This was not just about transferring technology—it was about supporting a project that transforms what was once considered waste into a by-product with enormous potential for water remediation and environmental improvement,” says Carlos González, RedCLARA’s Services Manager.
He emphasized the potential to scale this technology:
“We look forward to seeing the next steps—how what was done in the lab can move to a higher level and even generate economic growth. Companies and public sector actors could use this solution, and the university could establish a spin-off.”
Part of a regional collaboration
As an added benefit, the team at UVG gained supercomputing experience.
“In Central America, we face the challenge of preparing new generations to handle this type of fast-evolving technology. The HPC testbed represents a giant benefit for those who truly need and can leverage it, especially since our universities lack these kinds of resources,” says Allan Vásquez, UVG.
The BELLA II project, implemented by RedCLARA and co-financed by the European Union, will significantly expand regional connectivity by integrating Peru, Costa Rica, Guatemala, Honduras, and El Salvador into RedCLARA’s backbone infrastructure.
“This pilot was a success. In addition to Guatemala, Costa Rica participated, contributing expertise in using new software. It was a valuable experience of knowledge transfer among countries in the region,” concludes Carlos González, RedCLARA.
The text is inspired by the article “Purpose-Driven Supercomputing: Innovation with a Guatemalan Signature” by Jenny Flores at the RedCLARA website.
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