| dc.description.abstract | Binary (AC, AG), ternary (ACG, ACP, AGP), quaternary (ACGP) composite beads of alginate (A), carrageenan
(C), gelatin (G), and poly (lactic-co-glycolic acid) (P) were prepared. The dried beads had a
700 μm average diameter. The microspheres with and without P were characterized by FT-IR, TGA/
DTA, SEM, and PZC analysis. The results proved that the features of the composites were completely
different from their bare components. Density Functional Theory (DFT) calculations were performed
at the B3LYP/6-311++G** level to enlighten the elementary physical and chemical properties of A,
C, P, and G compounds. The vibrational modes obtained by calculations were compared with those
observed in the FT-IR spectra. The Frontier Molecular Orbital (FMO) analyses showed that the component
G was the softer and had smaller energy gap than the other components and vice versa for
component P. NBO (Natural Bond Orbital) analyses implied that the n → П* (resonance) interactions
for components A, G, and P contributed to the lowering of the molecular stabilization, whereas that
the n → σ* (anomeric) interactions were responsible for decreasing of the stabilization of the component.
From the obtained results, these kinds of components can be hoped the promising materials
for usage in the many scientific fields, especially in medicine and in drug design. | tr |
