ArticlePolymers2025
Computational Modeling to Guide the Design of Mesalazine Nanoparticles Tailored for the Incorporation of Chitosan.
Article in Polymers, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
What it found
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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.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
1 citing paper in PubMed.
- Effect of carboxymethyl substitution position on urea interaction with carboxymethyl chitosan: a density functional theory study.Journal of molecular modeling · 2026Article
Corrections and comments
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Authors and funding
6 authors.
Funding
Abstract
The main objective of treatment with MSZ is to ensure that the drug reaches the colon, where it exerts its therapeutic effect. However, due to pH variation throughout the gastrointestinal tract and the risk of degradation or premature absorption, a considerable portion of the drug may not reach the colon in adequate concentrations. In this study, computational modeling was combined with experimental approaches for the design of MSZ nanoparticles (MSZ-NPs) suitable for chitosan (CS) incorporation. Quantum chemical calculations and molecular modeling revealed the importance of pH as a nucleation determinant and in the growth of the MSZ complexes. At pH~1.0, cationic clusters predominated, characterized by higher interaction energies and larger volumes/surface areas. At pH~4.0, zwitterionic clusters were stabilized, whereas at pH~6.0, anionic clusters formed the most compact assemblies, with the smallest calculated volume (4817 Å
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Registered trials
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