AI Article Synopsis
- The study examines radium from the perspective of both its environmental impact and its use in cancer therapy, focusing on its behavior as a hydrated ion.
- Using extended X-ray absorption fine structure (EXAFS) spectroscopy and advanced molecular dynamics (AIMD) simulations, researchers found specific coordination numbers and distances between radium ions and surrounding water molecules.
- The results indicate that radium's hydration structure is less ordered and more dynamic compared to barium, suggesting that radium has a higher lability, meaning it interacts more readily with water.
Article Abstract
Radium is refocused from the viewpoint of an environmental pollutant and cancer therapy using alpha particles, where it mainly exists as a hydrated ion. We investigated the radium hydration structure and the dynamics of water molecules by extended X-ray absorption fine structure (EXAFS) spectroscopy and molecular dynamics (AIMD) simulation. The EXAFS experiment showed that the coordination number and average distance between radium ion and the oxygen atoms in the first hydration shell are 9.2 ± 1.9 and 2.87 ± 0.06 Å, respectively. They are consistent with those obtained from the AIMD simulations, 8.4 and 2.88 Å. The AIMD simulations also revealed that the water molecules in the first hydration shell of radium are less structured and more mobile than those of barium, which is an analogous element of radium. Our results indicate that radium can be more labile than barium in terms of interactions with water.
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Source |
|---|---|
| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9386089 | PMC |
| http://dx.doi.org/10.1016/j.isci.2022.104763 | DOI Listing |
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