ArticleNanomaterials (Basel, Switzerland)2026
Low-Temperature xTB-MD-DFT Screening of Functionalized Oxide Surface-Patch Models (TiO
Article in Nanomaterials (Basel, Switzerland), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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
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Authors and funding
5 authors.
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Abstract
Hydrocarbon biodegradation in cold environments is constrained not only by microbial catabolic capacity but also by interfacial access to poorly soluble substrates and by the way remediation materials interact with microbial envelope-related structures. This study presents an uncertainty-aware low-temperature computational screening workflow for prioritizing functionalized oxide surface-patch models that may favor hydrocarbon association while avoiding excessive perturbation of simplified microbial-interface proxies. Twelve finite oxide-ligand candidates derived from TiO
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Registered trials
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