The features of the formation of the hybrid nanostructures of C60 fullerene and amphiphilic copolymer of N-vinylpyrrolidone with (di)methacrylates in isopropyl alcohol and its mixtures with water

Kurmaz, S. V.; Obraztsova, N. A.; Кабачков, Е. Н.

doi:10.1007/s00396-016-3959-7

Cited by 7 publications

(4 citation statements)

References 28 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Insufficient differences in −∆ H values did not allow unambiguous conclusions on the water molecule coordination. However, it was stated experimentally that these copolymers were monomolecular micelles, or their aggregates in aqueous solutions with hydrophilic shells consisted of VP unites [ 45 , 46 , 47 , 48 ]. Taking this data into consideration, the quantum chemical modeling of VP-VP-VP moieties with water molecules seems to be the most relevant.…”

Section: Resultsmentioning

confidence: 99%

“…We synthesized amphiphilic copolymers of VP with dimethacrylates [ 44 ] that were excellent precursors to form biologically active compound (BAC) nanostructures [ 45 , 46 , 47 , 48 ]. They have low cytotoxicity and are able to penetrate into cells [ 46 ].…”

Section: Introductionmentioning

confidence: 99%

“…They have low cytotoxicity and are able to penetrate into cells [ 46 ]. For instance, they proved to be useful as potential carriers of hydrophobic compounds such as fullerene С 60 [ 45 ] and zinc(II) tetraphenylporphyrin [ 46 , 47 ], and they were also approved as NO-carried systems of binuclear tetranitrosyl iron complexes [ 48 ] or Pt IV complexes [ 49 , 50 ] with antitumor activity. Apparently, these copolymers could be also used as platform for hydrophilic BAC-forming complexes via associated water.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Structure and State of Water in Branched N-Vinylpyrrolidone Copolymers as Carriers of a Hydrophilic Biologically Active Compound

et al. 2020

Self Cite

View full text Add to dashboard Cite

Hydrated copolymers of N-vinylpyrrolidone (VP) with triethylene glycol dimethacrylate as a promising platform for biologically active compounds (BAC) were investigated by different physical chemical methods (dynamic light scattering, infrared spectroscopy, thermal gravimetric analysis, and differential scanning calorimetry) and the quantum chemical modeling of water coordination by the copolymers in a solution. According to the quantum chemical simulation, one to two water molecules can coordinate on one O-atom of the lactam ring of VP units in the copolymer. Besides the usual terminal coordination, the water molecule can form bridges to bind two adjacent C=O groups of the lactam rings of VP units. In addition to the first hydration shell, the formation of a second one is also possible due to the chain addition of water molecules, and its structure depends on a mutual orientation of C=O groups. We showed that N,N-dimethylbiguanidine hydrochloride (metformin) as a frontline drug for the treatment of type 2 diabetes mellitus can be associated in aqueous solutions with free and hydrated C=O groups of the lactam rings of VP units in studied copolymers. Based on the characteristics of the H-bonds, we believe that the level of the copolymer hydration does not affect the behavior and biological activity of this drug, but the binding of metformin with the amphiphilic copolymer will delight in the penetration of a hydrophilic drug across a cell membrane to increase its bioavailability.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Structure and State of Water in Branched N-Vinylpyrrolidone Copolymers as Carriers of a Hydrophilic Biologically Active Compound

et al. 2020

Self Cite

View full text Add to dashboard Cite

show abstract

“…This process enhances the hydrophilicity of fullerenes by introducing hydrophilic groups to the surface, which also gives fullerenes new functions such as optimizing nuclear magnetic resonance spectroscopy, sensitizing photodynamics, and enabling cancer therapy [8][9][10]. Another approach to increase surface hydrophilicity is to utilize the porous structure of fullerenes to nocovalent adsorb some solubility modi ers [11,12], such as amphiphilic polymers [13],…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics assisted analysis on improved free radical removal ability of fullerene(C60)-curcumin aggregate

Houze,

Dongsheng,

Wei

2024

Preprint

View full text Add to dashboard Cite

The self-aggregation of curcumin (Cur) on the surface of fullerene (C60) was induced by ultrasonic solvent exchange method. Associating the characterization results of infrared spectrum, X-ray diffraction, and scanning electron microscopy, the molecular structure and morphology of two components in the aggregate (C60/Cur) were determined unchanged essentially. By analyzing the dependence of related cosmetic effects on the aggregating ratio of C60 and Cur, the monolayer saturation was found advantageous to improve the amphiphilicity and oxidation resistance. Especially, C60/Cur showed a better performance to eliminate free radicals compared to counterpart of simply mixing C60 and curcumin. Based on molecular dynamics simulations of the Forte module, the self-aggregation is proposed occurring through π-π stacking interactions between the benzene ring from curcumin and the spherical π bond of C60, and a molecular configuration was offered for displaying the optimal spatial arrangement of C60/Cur. Furthermore, the Mulliken charges on the phenolic hydroxyl groups of the curcumin molecules with original and aggregated state were calculated respectively using Gaussian software, and the charge values were found to transfer from negative to positive due to the aggregating. The dispersion of the electron cloud on the benzene ring was recognized responsible to enhance the electron absorption capacity of the phenolic hydroxyl group, thereby improving free radical removal ability of C60/Cur.

show abstract

New amphiphilic terpolymers of N-vinylpyrrolidone with poly(ethylene glycol) methyl ether methacrylate and triethylene glycol dimethacrylate as carriers of the hydrophobic fluorescent dye

et al. 2021

View full text Add to dashboard Cite

The features of the formation of the hybrid nanostructures of C60 fullerene and amphiphilic copolymer of N-vinylpyrrolidone with (di)methacrylates in isopropyl alcohol and its mixtures with water

Cited by 7 publications

References 28 publications

Structure and State of Water in Branched N-Vinylpyrrolidone Copolymers as Carriers of a Hydrophilic Biologically Active Compound

Structure and State of Water in Branched N-Vinylpyrrolidone Copolymers as Carriers of a Hydrophilic Biologically Active Compound

Molecular dynamics assisted analysis on improved free radical removal ability of fullerene(C60)-curcumin aggregate

New amphiphilic terpolymers of N-vinylpyrrolidone with poly(ethylene glycol) methyl ether methacrylate and triethylene glycol dimethacrylate as carriers of the hydrophobic fluorescent dye

Contact Info

Product

Resources

About