Nuclear energy is one of the primary sources of power. Production and use of fuel rods in nuclear reactors is the basis for this form of power production. A typical fissionable material used in fuel rods is uranium-238. Uranium happens to be significantly more prevalent in sea-water than terrestrially. There is a long history to the investigation of collecting uranium, in the form of uranyl, from sea-water that has not yet had a definitive conclusion. The research so far shows that uranyl is able to bind to certain materials, typically but not limited, to organic frameworks, metal organic frameworks, and proteins.<br/><br/>Recent research has shown that a mechanism for actinide toxicity in humans involves actinides binding to calmodulin in place of calcium. While not a desirable mechanism to occur within humans, its ability to bind actinides makes it an obvious candidate for uranyl collection from sea-water.<br/><br/>We present a molecular dynamics study of solvated calmodulin. Insights are given about its binding mechanism for calcium and uranyl. Investigation of mutations that could improve calmodulin’s binding affinity were also performed. We hope our work helps direct future theory and related experimental research to a fruitful direction.

A molecular dynamics investigation of calmodulin's ability to bind actinides

ACS Fall 2021

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