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• W2969178145 endingPage "104016" @default.
• W2969178145 startingPage "104016" @default.
• W2969178145 abstract "We report new theoretical and experimental results that may significantly change our ideas on the workings of life. We performed ab initio analysis of the band structure of periodic α-helix polypeptides (PP) in function of the chain length. Three different calculation approaches were tested: (a) PP described semiempirically as a one-dimensional object, with the amino acids substituted by effective atoms; (b) density functional theory (DFT) as implemented in WIEN2k approach, and (c) CRYSTAL-17 software package. The approach (c) was used for the detailed ab initio analysis, as it provided better accuracy in less computation time. We found that the bandgap was weakly dependent on the PP composition, with the asymptotic values in the 0.43 – 0.63 eV range. We estimated the effective electron and hole masses, their mean free path and mobility for the glycine-PP. The electron mobility in the PP conductive band was about half of that in polycrystalline silicon. The PP zone structure was used to study the mechanism of energy transfer along the PP. The current-voltage (I/V) characteristics of Müller cell (MC) intermediate filaments (IFs) from porcine retina were experimentally measured. The measured I/V characteristics show that the IFs behave as semiconductors. These results were discussed in light of the presently reported PP zone structure theory. The results obtained may open new areas in biomedical research and applications." @default.
• W2969178145 created "2019-08-22" @default.
• W2969178145 creator A5021781197 @default.
• W2969178145 creator A5073260512 @default.
• W2969178145 date "2019-11-01" @default.
• W2969178145 modified "2023-10-01" @default.
• W2969178145 title "Energy propagation along polypeptide α-helix: Experimental data and ab initio zone structure" @default.
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• W2969178145 doi "https://doi.org/10.1016/j.biosystems.2019.104016" @default.
• W2969178145 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31415803" @default.
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