Plasticizers effect on native biodegradable package materials

Cozar, O.; Cioica, N.; Cota, C.; Nagy, E. M.; Fechete, Radu

doi:10.1063/1.4972386

Cited by 2 publications

(2 citation statements)

References 27 publications

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“…In the 1200–800 cm −1 range ( Figure 5 D), the appearance of the band at 970 cm −1 arising from C–H deformational mode in the γ-CD+CA spectrum is noteworthy; also, the bands at 1058 and 1037 cm −1 in β-CD+CA and 1049 cm −1 in α-CD+CA connected with C–O stretching [ 55 ] testify to the differences in the structural organization in this type of association. Considering the 550–400 cm −1 region ( Figure 5 F), the band at 510 cm −1 appears only for γ-CD+CA, which is related to C–C–O bending and C–C and C–O stretching vibrations [ 56 ], while the band at ~477 cm −1 assigned to bending C–C–C and twisting C–O vibrations, characteristic for polysaccharides, especially amylose [ 57 ], is barely pronounced. At the same time, it is much more explicit in the α-CD, β-CD, and 2HP-β-CD+CA samples.…”

Section: Resultsmentioning

confidence: 99%

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Molecular Structure of Cefuroxime Axetil Complexes with α-, β-, γ-, and 2-Hydroxypropyl-β-Cyclodextrins: Molecular Simulations and Raman Spectroscopic and Imaging Studies

Gieroba

Kalisz

Sroka-Bartnicka

et al. 2021

IJMS

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The formation of cefuroxime axetil+cyclodextrin (CA+CD) complexes increases the aqueous solubility of CA, improves its physico-chemical properties, and facilitates a biomembrane-mediated drug delivery process. In CD-based tablet formulations, it is crucial to investigate the molecular details of complexes in final pharmaceutical preparation. In this study, Raman spectroscopy and mapping were applied for the detection and identification of chemical groups involved in α-, β-, γ-, and 2-hydroxypropyl-β-CD (2-HP- β-CD)+CA complexation process. The experimental studies have been complemented by molecular dynamics-based investigations, providing additional molecular details of CA+CD interactions. It has been demonstrated that CA forms the guest–host type inclusion complexes with all studied CDs; however, the nature of the interactions is slightly different. It seems that both α- and β-CD interact with furanyl and methoxy moieties of CA, γ-CD forms a more diverse pattern of interactions with CA, which are not observed in other CDs, whereas 2HP-β-CD binds CA with the contribution of hydrogen bonding. Apart from supporting this interpretation of the experimental data, molecular dynamics simulations allowed for ordering the CA+CD binding affinities. The obtained results proved that the molecular details of the host–guest complexation can be successfully predicted from the combination of Raman spectroscopy and molecular modeling.

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Section: Resultsmentioning

confidence: 99%

“…Before the analysis, the spectra were normalized to the C-O-C stretching vibration bands, i.e., those appearing at 1127 cm −1 (α-CD+CA and β-CD+CA), 1133 cm −1 (γ-CD+CA) and 1126 cm −1 (2HP-β-CD+CA) (Figure 6). [57], is barely pronounced. At the same time, it is much more explicit in the α-CD, β-CD, and 2HP-β-CD+CA samples.…”

Section: Figurementioning

confidence: 95%