The composite microbeads of alginate, carrageenan, gelatin, and poly(lactic-co-glycolic acid): Synthesis, characterization and Density Functional Theory calculations
| Autor: | Goncagül Serdaroğlu, Buse Semerci, Demet Baybaş |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
food.ingredient
Alginates Static Electricity Molecular Conformation 02 engineering and technology Carrageenan Vibration Biochemistry Gelatin 03 medical and health sciences chemistry.chemical_compound food Polylactic Acid-Polyglycolic Acid Copolymer Structural Biology Spectroscopy Fourier Transform Infrared Molecular orbital Point of zero charge Particle Size Molecular Biology Density Functional Theory Glycolic acid 030304 developmental biology 0303 health sciences Chemistry Temperature General Medicine Hydrogen-Ion Concentration 021001 nanoscience & nanotechnology Resonance (chemistry) Microspheres Thermogravimetry Quantum Theory Physical chemistry Density functional theory 0210 nano-technology Ternary operation Natural bond orbital |
| Zdroj: | International Journal of Biological Macromolecules. 181:322-338 |
| ISSN: | 0141-8130 |
| DOI: | 10.1016/j.ijbiomac.2021.03.128 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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