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Tytuł:
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The composite microbeads of alginate, carrageenan, gelatin, and poly(lactic-co-glycolic acid): Synthesis, characterization and Density Functional Theory calculations.
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Autorzy:
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Baybaş D; Sivas Cumhuriyet University, Faculty of Science, Biochem. Dep., 58140 Sivas, Turkey. Electronic address: .
Serdaroğlu G; Sivas Cumhuriyet University, Math. and Sci. Edu., 58140 Sivas, Turkey.
Semerci B; Organized Industrial Zone, 2. Section, 5. Cad., No: 10, Sivas 58060, Turkey.
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Źródło:
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International journal of biological macromolecules [Int J Biol Macromol] 2021 Jun 30; Vol. 181, pp. 322-338. Date of Electronic Publication: 2021 Mar 26.
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Typ publikacji:
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Journal Article
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Język:
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English
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Imprint Name(s):
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Publication: Amsterdam : Elsevier
Original Publication: Guildford, Eng., IPC Science and Technology Press.
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MeSH Terms:
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Density Functional Theory*
Microspheres*
Alginates/*chemistry
Carrageenan/*chemistry
Gelatin/*chemistry
Polylactic Acid-Polyglycolic Acid Copolymer/*chemistry
Alginates/chemical synthesis ; Carrageenan/chemical synthesis ; Gelatin/chemical synthesis ; Hydrogen-Ion Concentration ; Molecular Conformation ; Particle Size ; Polylactic Acid-Polyglycolic Acid Copolymer/chemical synthesis ; Quantum Theory ; Spectroscopy, Fourier Transform Infrared ; Static Electricity ; Temperature ; Thermogravimetry ; Vibration
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Contributed Indexing:
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Keywords: Alginate; Carrageenan; DFT calculations; Gelatin; Microcomposites; Poly (lactic-co-glycolic acid)
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Substance Nomenclature:
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0 (Alginates)
1SIA8062RS (Polylactic Acid-Polyglycolic Acid Copolymer)
9000-07-1 (Carrageenan)
9000-70-8 (Gelatin)
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Entry Date(s):
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Date Created: 20210330 Date Completed: 20210722 Latest Revision: 20210722
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Update Code:
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20240105
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DOI:
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10.1016/j.ijbiomac.2021.03.128
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PMID:
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33781812
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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.
Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2021 Elsevier B.V. All rights reserved.)
