My new #preprint looks at the role of octahedral aluminium sites in #zeolites on adsorption of the anticancer drug 5-fluorouracil. #DFT shows that 5-FU strongly binds to those sites. The bonds do not break in the presence of water, reducing the amount of 5-FU available for #drugdelivery.
#compchem
#compchem
Reposted from
ChemRxiv Bot
Impact of octahedral aluminium sites on guest molecule adsorption in zeolites: A computational study of 5-fluorouracil in zeolite FAU
Authors: Michael Fischer
DOI: 10.26434/chemrxiv-2025-bkwp1
Authors: Michael Fischer
DOI: 10.26434/chemrxiv-2025-bkwp1
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