Spectroscopic and modeling analyses of bimolecular structure of corn silk
Ali, Gharieb W.; Abdel-Fattah, Wafa I.; Prof. Dr. Hanan Gouda Abdelwahab Ahmed Elhaes; Ibrahim, Medhat A.;
Abstract
© 2019, AMG Transcend Association. All rights reserved. Corn silk (CS) is a protein/ cellulosic agricultural waste. Due to its documented beneficial medical applications; corn silk aqueous extract was greenly prepared. FTIR spectroscopic analyses are conducted for three fractions of CS, then a model is prepared to simulate CS molecular structure. Based on FTIR analyses, a model is described as composite of dehydrated alanine unit lignin unit and two cellulose units with metal oxides namely MgO and CuO. Some important descriptors were calculated with Quantitative structure-activity relationship QSAR calculations. Then quantum mechanical calculations were conducted. Molecular modeling data indicated the CS applicability for several biomedical applications due to its active sites proved by electrostatic potential. The results confirmed the suitability of CS as promising tool for many biological applications.
Other data
| Title | Spectroscopic and modeling analyses of bimolecular structure of corn silk | Authors | Ali, Gharieb W.; Abdel-Fattah, Wafa I.; Prof. Dr. Hanan Gouda Abdelwahab Ahmed Elhaes ; Ibrahim, Medhat A. | Keywords | Antioxidant activity;XPS;Molecular modeling;FESEM;Corn silk | Issue Date | 1-Dec-2019 | Publisher | BIOINTERFACE RESEARCH APPLIED CHEMISTRY | Journal | Biointerface Research in Applied Chemistry | ISSN | 2069-5837 | DOI | 10.33263/BRIAC96.581585 | Scopus ID | 2-s2.0-85076054747 | Web of science ID | WOS:000503065300018 |
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