Insights of keratin geometry from agro-industrial wastes: A comparative computational and experimental assessment

Understanding the structural properties of keratin is of great importance to managing their potential application in keratin-inspired biomaterials and its management of wastes. In this work, the molecular structure of chicken feather keratin 1 was characterized by AlphaFold2 and quantum chemistry calculation. The predicted IR spectrum of the N-terminal region of feather keratin 1, consisting of 28 amino acid residues, was used to assign the Raman frequencies of the extracted keratin. The MW of experimental samples were 6 & 1 kDa while the predicted MW (similar to 10 kDa) of beta-keratin. Experimental analysis shows the magnetic field treatment could affect the functional and surface structural properties of keratin. The particle size distribution curve illustrates the dispersion of particle size concentration, while TEM analysis demonstrates the reduction of particle diameter to 23.71 +/- 1.1 nm following treatment. High-resolution XPS analysis confirmed the displacement of molecular elements from their orbital.

Automated summary

Understanding the structural properties of keratin is crucial for its potential application in biomaterials and waste management. The molecular structure of chicken feather keratin 1 was characterized using AlphaFold2 and quantum chemistry calculation. The predicted IR spectrum was used to assign Raman frequencies of the extracted keratin. Experimental analysis showed that magnetic field treatment could affect the functional and surface structural properties of keratin, leading to a reduction in particle size. High-resolution XPS analysis confirmed the displacement of molecular elements.