ArticleACS omega2023
Energies Exploration for the Troponine Molecule Supported on Carbon Nanomaterials: DFT Study.
Article in ACS omega, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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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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Abstract
Density functional theory calculations have been used to elucidate structural parameters of pristine cardiac Troponin I and its interaction with carbon nanomaterials. In this case, zigzag single-walled carbon nanotubes and graphene sheets were selected. Troponin I interacted horizontally (leusine terminal) and vertically (lysine terminal) with the nanomaterials. Cohesion and binding energies, band gaps, and charge transfer for the systems were obtained. Cohesion for troponin I supported on graphene and single-walled carbon nanotube in the horizontal position was found to be the most viable system. Binding for the interaction between troponin I and a nanotube in the horizontal position was found to be the most stable with a value of 0.002 eV that increases to 0.004 eV with a van der Waals correction. Furthermore, the density of states exhibits an improvement in band gap for graphene sheets, and finally, a higher charge transfer was reported for troponin I in its horizontal form supported on a zigzag single-walled carbon nanotube.
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