RESUMEN
The article discusses the release process of doxorubicin hydrochloride (DOX) from multi-wall carbon nanotubes (MWCNTs). The studies described a probable mechanism of release and actions between the surface of functionalized MWCNTs and anticancer drugs. The surface of carbon nanotubes (CNTs) has been modified via treatment in nitric acid to optimize the adsorption and release process. The modification efficiency and physicochemical properties of the MWCNTs+DOX system were analyzed by using SEM, TEM, EDS, FTIR, Raman Spectroscopy and UV-Vis methods. Based on computer simulations at pH 7.4 and the experiment at pH 5.4, the kinetics and the mechanism of DOX release from MWNT were discussed. It has been experimentally observed that the acidic pH (5.4) is appropriate for the efficient release of the drug from CNTs. It was noted that under acidic pH conditions, which is typical for the tumour microenvironment almost 90% of the drug was released in a relatively short time. The kinetics models based on different mathematical functions were used to describe the release mechanism of drugs from MWCNTs. Our studies indicated that the best fit of experimental kinetic curves of release has been observed for the Power-law model and the fitted parameters suggest that the drug release mechanism of DOX from MWCNTs is controlled by Fickian diffusion. Molecular dynamics simulations, on the other hand, have shown that in a neutral pH solution, which is close to the blood pH, the release process does not occur keeping the aggregation level constant. The presented studies have shown that MWCNTs are promising carriers of anticancer drugs that, depending on the surface modification, can exhibit different adsorption mechanisms and release.
Asunto(s)
Antineoplásicos/química , Doxorrubicina/química , Sistemas de Liberación de Medicamentos/métodos , Nanotubos de Carbono/química , Antineoplásicos/farmacocinética , Doxorrubicina/farmacocinética , Liberación de Fármacos , Concentración de Iones de Hidrógeno , Cinética , Simulación de Dinámica Molecular , Espectrometría Raman/métodosRESUMEN
This study provides deep insight into the adsorption process of doxorubicin onto different types of carbon nanotubes that have been proved to show attractive properties as a drug delivery system. The main aim of the work was to propose probable adsorption mechanisms and interactions between the anticancer drug and surface of modified and pristine carbon nanotubes at blood pH. The carbon nanotubes were oxidized to optimize the absorbance efficiency relative to that of pristine multiwalled carbon nanotubes. The adsorption isotherm of the modified system was well described by the Temkin equation. It confirms that the adsorption in the system studied involves also hydrogen and covalent bonding and is exothermic in nature. The experimental kinetic curves of adsorption were fitted to different mathematical models to check if the kinetics of doxorubicin adsorption onto the modified multiwalled carbon nanotubes follows a pseudo-second-order model and the chemical sorption is bound to be the rate-limiting. On the basis of the molecular dynamics simulation, it was shown that in vacuo the aggregation tendency of doxorubicin molecules is far more favorable than their adsorption on pristine carbon nanotubes (CNTs). It suggests that only functionalization of the nanotube surface can affect the interaction between doxorubicin and functional groups of the carriers and increases the efficiency of the drug loading process.
Asunto(s)
Doxorrubicina/farmacocinética , Nanotubos de Carbono/química , Adsorción , Rastreo Diferencial de Calorimetría , Simulación por Computador , Concentración de Iones de Hidrógeno , Interacciones Hidrofóbicas e Hidrofílicas , Cinética , Simulación de Dinámica Molecular , Espectrometría por Rayos X , Propiedades de Superficie , Termogravimetría , Contaminantes Químicos del Agua/farmacocinéticaRESUMEN
Inspired by the unusual shapes of the titration curve observed for many surfactants and mixed colloidal systems, we decided to extend the analysis to isothermal titration calorimetric curves (ITC) by paying special attention to potential structural changes in micellar aggregates. In this paper, we used isothermal titration calorimetry in conjunction with Scanning Transmission Electron Microscopy (STEM), Small-Angle Neutron Scattering (SANS) and X-ray Scattering (SAXS) methods support by Monte Carlo and semiempirical quantum chemistry simulations to confirm if the isothermal calorimetric curve shape can reflect micelle transition phenomena. For that purpose, we analysed, from the thermodynamic point of view, a group of cationic gemini surfactants, alkanediyl-α,ω-bis(dimethylalkylammonium) bromides. We proposed the shape of aggregates created by surfactant molecules in aqueous solutions and changes thereof within a wide temperature range. The results provide evidence for the reorganization processes and the relationship (dependence) between the morphology of the created aggregates and the conditions such as temperature, surfactant concentration and spacer chain length which affect the processes.
Asunto(s)
Calorimetría , Micelas , Temperatura , Simulación por Computador , Teoría Funcional de la Densidad , Cinética , Método de Montecarlo , Difracción de Neutrones , Polímeros/química , Dispersión del Ángulo Pequeño , Tensoactivos/química , Agua/químicaRESUMEN
This work presents the structural characterisation of carbon fibres obtained from the carbonization of flax tow at 400°C (CFs400°C) and 1000°C (CFs1000°C) and the thermodynamic and kinetic studies of adsorption of Doxorubicin (Dox) on the fibres. The characteristic of carbon fibres and their drug adsorption and removal mechanism were investigated and compared with that of natural flax tow. All fibres were fully characterized by scanning electron microscopy (SEM), Fourier transforms infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), specific surface area analysis and Boehm titration. The results demonstrated the highest adsorption properties of CFs400°C at 323 K (qmax = 275 mg g-1). The kinetic data followed the pseudo-second-order kinetic model more closely, whereas the Dubinin-Radushkevich model suitably described isotherms for all fibres. Calculated parameters revealed that the adsorption process of Dox ions is spontaneous and mainly followed by physisorption and a pore-filling mechanism. The removal efficiency for carbon fibres is low due to the effect of pore-blocking and hydrophobic hydration. However, presented fibres can be treated with a base for further chemical surface modification, increasing the adsorption capacity and controlling the release tendency.
Asunto(s)
Huesos , Fibra de Carbono , Doxorrubicina , Lino/química , Nanoestructuras , Nanotecnología/métodos , Prótesis e Implantes , Andamios del Tejido , Adsorción , Fibra de Carbono/química , Liberación de Fármacos , Calor , Cinética , Microscopía Electrónica de Rastreo , Espectroscopía Infrarroja por Transformada de Fourier , TermodinámicaRESUMEN
A rapid amplification of algal population has a negative impact on the environment and the global economy. Thus, control of algal proliferation is an important issue and effective procedures which reduce algal blooms and control algal fouling are highly desired. Gemini surfactants are considered to have a low environmental impact, therefore they seem to be a promising group of detergents which could reduce algal blooms in water systems. Furthermore, due to their emulsifying properties they could replace algaecides added to antifouling paints and decrease algae adhesion to various surfaces. In this study the toxic effect of the 12-5-12 gemini surfactant was investigated on Chlorella cells and close attention was paid to a potential mechanism of its action. At the high cell density (10.05 × 107 cells/mL) a dose-dependent cell death was found and the IC50 value was reached at the concentration of 19.6 µmol/L after 72-h exposure to the surfactant. The decrease in chlorophyll autofluorescence shows that the photosynthetic apparatus seems to be the target of the tested compound. The presented studies indicate that gemini surfactants could effectively reduce algal blooms in water systems, and if added to paints, they could decrease algal growth on external building walls or other water immersed surfaces.