The influence of distribution of hydroxyl groups on vibrational spectra of fullerenol C60(OH)24 isomers: DFT study

Link copied

Various positive properties

The infrared and Raman spectra of C60(OH)24 molecule with uniform and non-uniform distribution of hydroxyl groups have been investigated using first principle DFT calculations at the B3LYP/6-31G(d,p) level of theory. The important features of the obtained geometries have been measured and compared to experimental results. The reference calculations of C60 molecule geometry and vibrational spectra have been made and compared to available experimental data. The striking differences of infrared spectra between C60(OH)24 molecule with uniform and non-uniform distribution of hydroxyl groups have been shown and discussed. The OH modes have been identified as the most sensitive to C60(OH)24 isomer configuration. The C-C stretching modes in the Raman spectra of the C60(OH)24 molecule have been found as a potential sensor of OH groups distribution over fullerene C60 surface.

https://pubmed.ncbi.nlm.nih.gov/25223813/

Related researches ^{71 articles}

Exploring the World of Fullerenols: A Deep Dive into Their Potential Medical Use

Fullerenol has pronounced antiradical properties in the working concentration range

Fullerenol C<sub>60</sub>(OH)<sub>36</sub> Protects the Antioxidant Enzymes in Human Erythrocytes against Oxidative Damage Induced by High-Energy Electrons

Fullerenol C₆₀(OH)₃₆ Protects the Antioxidant Enzymes in Human Erythrocytes against Oxidative Damage Induced by High-Energy Electrons

Long-term maintenance of synaptic plasticity by Fullerenol Ameliorates lead-induced-impaired learning and memory in vivo

The transcriptome profile of RPE cells by the fullerenol against hydrogen peroxide stress

Fullerenol protects cornea from ultraviolet B exposure

Toxicity and Antioxidant Activity of Fullerenol C_60,70 with Low Number of Oxygen Substituents

Exploiting the physicochemical properties of dendritic polymers for environmental and biological applications

Impacts of fullerene derivatives on regulating the structure and assembly of collagen molecules

Fluorescence analysis of the action of soluble derivatives of fullerene C60 on amyloid fibrils of the brain peptide Abeta(1-42)

Fullerenol – properties and applications in biomedical sciences

INHIBITORY POTENTIAL OF POLYHYDROXYLATED FULLERENES AGAINST PROTEIN TYROSINE PHOSPHATASE 1B

Polyhydroxylated fullerene attenuates oxidative stress-induced apoptosis via a fortifying Nrf2-regulated cellular antioxidant defence system

Effect of fullerenol surface chemistry on nanoparticle binding-induced protein misfolding

Oxidation-induced water-solubilization and chemical functionalization of fullerenes C60, Gd@C60 and Gd@C82: atomistic insights into the formation mechanisms and structures of fullerenols synthesized by different methods

The neuroprotective effect of fullerenols on a model of Parkinson’s disease in Drosophila melanogaster

Amelioration of Experimentally Induced Arthritis by Reducing Reactive Oxygen Species Production through the Intra-Articular Injection of Water-Soluble Fullerenol

Effect of fullerenol nanoparticles on oxidative stress induced by paraquat in honey bees

Facile synthesis of highly water-soluble fullerenes more than half-covered by hydroxyl groups

Determination of trace alkaline phosphatase by solid-substrate room-temperature phosphorimetry based on Triticum vulgare lectin labeled with fullerenol

Interaction of fullerenol with lysozyme investigated by experimental and computational approaches

Effects of hydroxyl group distribution on the reactivity, stability and optical properties of fullerenols

Gd@C 82 Fullerenol

1,4-Fullerenols C60ArOH: synthesis and functionalization

Isothermal titration calorimetry study of the interaction of sweeteners with fullerenols as an artificial sweet taste receptor model

Light-initiated transformations of fullerenol in aqueous media

Facile synthesis of isomerically pure fullerenols and formation of spherical aggregates from C60(OH)8

Influences of the size and hydroxyl number of fullerenes/fullerenols on their interactions with proteins

Nonlinear conductivity of fullerenol aqueous solutions

The properties of small fullerenol cluster (C60(OH)24)7: computer simulation

The structural studies of fullerenol C60(OH)24 and nitric oxide mixture in water solvent – MD simulation

Production of monoclonal antibodies against fullerene C60 and development of a fullerene enzyme immunoassay

Mechanism of taq DNA polymerase inhibition by fullerene derivatives: insight from computer simulations

Production and consumption of reactive oxygen species by fullerenes

Dendrimer-Fullerenol Soft-Condensed Nanoassembly

Acute doxorubicin nephrotoxicity in rats with malignant neoplasm can be successfully treated with fullerenol C60(OH)24 via suppression of oxidative stress

Polyhydroxylated C60 fullerene (fullerenol) attenuates neutrophilic lung inflammation in mice

Antimicrobial activity of fullerenes and their hydroxylated derivatives

Super-highly hydroxylated fullerene derivative protects human keratinocytes from UV-induced cell injuries together with the decreases in intracellular ROS generation and DNA damages

Polyhydroxy fullerenes (fullerols or fullerenols): beneficial effects on growth and lifespan in diverse biological models

Suitability of polyelectrolyte shells modified with fullerene derivate for immunoisolation of cells. Experimental study

Inhibition of sebum production and Propionibacterium acnes lipase activity by fullerenol, a novel polyhydroxylated fullerene: potential as a therapeutic reagent for acne

Comparative study of the interaction of fullerenol nanoparticles with eukaryotic and bacterial model membranes using solid-state NMR and FTIR spectroscopy

Fullerenols as a new therapeutic approach in nanomedicine

Morphologically virus-like fullerenol nanoparticles act as the dual-functional nanoadjuvant for HIV-1 vaccine

Fullerenol C₆₀(OH)₃₆ could associate to band 3 protein of human erythrocyte membranes

Fullerenol protects retinal pigment epithelial cells from oxidative stress-induced premature senescence via activating SIRT1

Synthesis and Characterization of Hydroxyapatite/Fullerenol Nanocomposites

Investigation of work of adhesion of biological cell (human hepatocellular carcinoma) by AFM nanoindentation

Carbon nanomaterials: Biologically active fullerene derivatives

Self-assembling, reactivity and molecular dynamics of fullerenol nanoparticles

Fullerenol C60(OH)24 increases ion permeability of lipid membranes in a pH-dependent manner

Palladium-Catalyzed Reaction of [60]Fullerene with Aroyl Compounds via Enolate-Mediated sp 2 C-H Bond Activation and Hydroxylation

Enhancement of nano titanium dioxide coatings by fullerene and polyhydroxy fullerene in the photocatalytic degradation of the herbicide mesotrione

Development and Characterization of New Pervaporation PVA Membranes for the Dehydration Using Bulk and Surface Modifications

Fullerenols Revisited: Highly Monodispersed Photoluminescent Nanomaterials as Ideal Building Blocks for Supramolecular Chemistry

Novel green PVA-fullerenol mixed matrix supported membranes for separating water-THF mixtures by pervaporation

Inhalable gadofullerenol/[70] fullerenol as high-efficiency ROS scavengers for pulmonary fibrosis therapy

Increasing the Resistance of Living Cells against Oxidative Stress by Nonnatural Surfactants as Membrane Guards

Fullerenol C 60(OH) 36 protects human erythrocyte membrane against high-energy electrons

Fullerene-Directed Synthesis of Flowerlike Cu 3(PO 4) 2 Crystals for Efficient Photocatalytic Degradation of Dyes

Molecular Semiconductor Surfactants with Fullerenol Heads and Colored Tails for Carbon Dioxide Photoconversion

Dynamic Surface Properties of Fullerenol Solutions

The mechanisms of action of water-soluble aminohexanoic and malonic adducts of fullerene C 60 with hexamethonium on model lipid membranes

Visualization of the tissue distribution of fullerenols in zebrafish (Danio rerio) using imaging mass spectrometry

Electrochemiluminescent Detection of Proteins Based on Fullerenols Modified Gold Nanoparticles and Triple Amplification Approaches

Bioaccumulation, biodistribution，and depuration of 13 C-labelled fullerenols in zebrafish through dietary exposure

Two-Photon Photoexcited Photodynamic Therapy with Water-Soluble Fullerenol Serving as the Highly Effective Two-Photon Photosensitizer Against Multidrug-Resistant Bacteria

Novel Mixed Matrix Sodium Alginate-Fullerenol Membranes: Development, Characterization, and Study in Pervaporation Dehydration of Isopropanol

Fullerenol as a photoelectrochemical nanoprobe for discrimination and ultrasensitive detection of amplification-free single-stranded DNA

Fullerenol Nanoparticles Eradicate Helicobacter pylori via pH-Responsive Peroxidase Activity

The influence of distribution of hydroxyl groups on vibrational spectra of fullerenol C60(OH)24 isomers: DFT study

Related researches 71 articles

Related researches ^{71 articles}