ArticleJournal of molecular modeling2025
Theoretical study of 2D cancer drug nanocarriers based on calcium chloride.
Article in Journal of molecular modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
1 citing paper in PubMed.
- Effect of gold slab layers relaxation on adsorption of alkanethiols on the (111) surface: a density functional theory study.Journal of molecular modeling · 2025Article
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Authors and funding
8 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
contextThis study aims to use two-dimensional nanocarriers composed of cisplatin and fluorouracil molecules adsorbed on the surface of calcium chloride crystals. We found that cisplatin molecules release an alkaline ammonia molecule, neutralizing the acidic environment of cancerous tumors through acid-base interactions. This behavior is similar to the enzyme urease, which has shown good results in cancer treatment. The compounds cisplatin/CaCl
methodsThe calculations were performed using the Quantum ESPRESSO software and density functional theory (DFT). The model compounds were optimized using the PBE functional combined with the vdw-DF3 functional to correct for dispersion forces in van der Waals interactions. The calcium chloride crystal was cut using VESTA software.
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Registered trials
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