Dataset Information

Macromolecular Design and Engineering of New Amphiphilic N-Vinylpyrrolidone Terpolymers for Biomedical Applications.

ABSTRACT: New amphiphilic VP-(di)methacrylate terpolymers of different monomer compositions and topologies have been synthesized by radical polymerization in toluene without any growth regulator of polymer chains. Their structures and properties in solid state and water solution were studied by double-detector size-exclusion chromatography; IR-, ¹H, and ¹³C NMR-spectroscopy; DLS, TEM, TG, and DSC methods. The composition of the VP-AlkMA-TEGDM monomer mixture has been established to regulate the topology of the resulting macromolecules. The studied terpolymers presented on TEM images as individual low-contrast particles and their conglomerates of various sizes with highly ordered regions; in general, they are amorphous structures. None of the terpolymers demonstrated cytotoxic effects for noncancerous Vero and tumor HeLa cells. Hydrophobic D-α-tocopherol (TP) was encapsulated in terpolymer nanoparticles (NPs), and its antioxidant activity was evaluated by ABTS (radical monocation 2,2'-azino-bis(3-ethylbenzthiazoline-6-sulfonic acid)) or DPPH (2,2'-diphenyl-1-picrylhydrazyl) methods. The reaction efficiency depends on the TP-NP type. The IC₅₀ values for the decolorization reaction of ABTS^•+ and DPPH inhibition in the presence of initial and encapsulated TP were obtained.

SUBMITTER: Kurmaz SV

PROVIDER: S-EPMC10607074 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature

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Macromolecular Design and Engineering of New Amphiphilic N-Vinylpyrrolidone Terpolymers for Biomedical Applications.

Kurmaz Svetlana V SV Perepelitsina Evgenia O EO Vasiliev Sergey G SG Avilova Irina A IA Khodos Igor I II Kurmaz Vladimir A VA Chernyaev Dmitry A DA Soldatova Yuliya V YV Filatova Natalia V NV Faingold Irina I II

International journal of molecular sciences 20231014 20

New amphiphilic VP-(di)methacrylate terpolymers of different monomer compositions and topologies have been synthesized by radical polymerization in toluene without any growth regulator of polymer chains. Their structures and properties in solid state and water solution were studied by double-detector size-exclusion chromatography; IR-, 1H, and 13C NMR-spectroscopy; DLS, TEM, TG, and DSC methods. The composition of the VP-AlkMA-TEGDM monomer mixture has been established to r ...[more]

PMID: 37894851

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Project description:In this paper we present the development and validation of the "Computational Reverse-Engineering Analysis for Scattering Experiments" (CREASE) method for analyzing scattering results from vesicle structures that are commonly found upon assembly of synthetic, biomimetic, or bioderived amphiphilic copolymers in solution. The two-step CREASE method takes the amphiphilic polymer chemistry and small-angle scattering intensity profile, I exp(q), as input and determines the vesicles' structural features on multiple length scales ranging from assembled vesicle wall's individual layer thicknesses to the monomer-level packing and distribution of polymer conformations. In the first step of CREASE, a genetic algorithm (GA) is used to determine the relevant vesicle dimensions from the input macromolecular solution information and I exp(q) by identifying the structure whose computed scattering profile best matches the input I exp(q). Then in the second step, the GA-determined dimensions are used for molecular reconstruction of the vesicle structure. To validate CREASE for vesicles, we test CREASE on input scattering intensity profiles generated mathematically (termed as in silico I exp(q) vs q) from a variety of vesicle sizes with known dimensions. We also test CREASE on in silico I exp(q) vs q generated from vesicles with dispersity in all relevant dimensions, resembling real experiments. After successful validation of CREASE, we compare the CREASE-determined dimensions against those obtained from the traditional approach of fitting the scattering intensity profile to relevant analytical model in SASVIEW package. We show that CREASE performs better than or as well as the core-multishell analytical model's fitting in SASVIEW in determining vesicle dimensions with dispersity. We also show that CREASE provides structural information beyond those possible from traditional scattering analysis using the core-multishell model, such as the distribution of solvophilic monomers between the vesicle wall's inner and outer layers in the vesicle wall and the chain-level packing within each vesicle layer.

Dataset Information

Macromolecular Design and Engineering of New Amphiphilic N-Vinylpyrrolidone Terpolymers for Biomedical Applications.

Publications

Macromolecular Design and Engineering of New Amphiphilic <i>N</i>-Vinylpyrrolidone Terpolymers for Biomedical Applications.

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