Spectroscopic and modeling analyses of bimolecular structure of corn silk

被引：10

作者：

Ali, Gharieb W. ^{[1
]}

Abdel-Fattah, Wafa, I ^{[1
]}

Elhaes, Hanan ^{[2
]}

Ibrahim, Medhat A. ^{[3
]}

机构：

[1] Natl Res Ctr, Biomat Grp, Refractories Ceram & Bldg Mat Dept, Giza, Egypt

[2] Ain Shams Univ, Fac Women Arts Sci & Educ, Phys Dept, Cairo 11757, Egypt

[3] Natl Res Ctr, Spect Dept, 33 El Bohouth Str, Giza 12622, Egypt

来源：

BIOINTERFACE RESEARCH IN APPLIED CHEMISTRY | 2019年 / 9卷 / 06期

关键词：

Corn silk; Molecular modeling; XPS; FESEM; Antioxidant activity; FT-RAMAN; STIGMA; DFT; POLYSACCHARIDES; ELUCIDATION; EXTRACT;

D O I：

10.33263/BRIAC96.581585

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

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.

引用

页码：4581 / 4585

页数：5

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