Simple model of adsorption on external surface of carbon nanotubes—a new analytical approach basing on molecular simulation data

Furmaniak, Sylwester; Terzyk, Artur P.; Gauden, Piotr A.; Harris, Peter; Wiśniewski, Marek; Kowalczyk, Piotr

doi:10.1007/s10450-010-9223-4

Cited by 23 publications

(49 citation statements)

References 56 publications

(103 reference statements)

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“…We choose carbon nanotubes called Baytubes C 150 HP (Bayer Material Science, Germany), characterized recently (Furmaniak et al 2010;Wiśniewski et al 2010). The BET surface area is equal to 198 m 2 /g, and the distribution of external diameters shows a maximum at c.a.…”

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confidence: 99%

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Carbon nanotubes as potential material for drug delivery—experiment and simulation

Terzyk¹,

Wiśniewski²,

Dulska³

et al. 2012

Adsorption

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We discuss the factors influencing the properties of new drug delivery system, composed of carbon nanotubes and analgesic antipyretic drug-paracetamol. Basing on experimental data it is shown, that by a simple manipulation with the heating time at the stage of system preparation, one can easily change the rate of the drug delivery. Moreover, this rate can be changed in a very wide range. Finally, using Molecular Dynamics simulation we also discuss the orientation and properties of drug molecules at different stages of the hot melt deposition process.Keywords Drug delivery · Paracetamol · Nanotubes · Hot melt drug deposition Carbon nanotubes become more and more important in construction of drug delivery vehicles (Pańczyk et al. 2011;Peretz and Regev 2012). It should be mentioned, however, that the problem of nanotubes toxicity issue still awaits a consensus, as demonstrated by inconclusive or contradictory studies. This problem should be resolved before the first practical applications of CNT-based medicine are approved (Peretz and Regev 2012).Recently the first application of carbon nanotubes in so-called hot melt drug deposition process was proposed (Terzyk et al. 2012). It was proven using thermal analysis, DSC and desorption kinetics measurements (as well as molecular simulations) that paracetamol molecules are adsorbed between carbon nanotubes and form nanoaggregates. After heating and after evaporation of the solvent nanoaggregates are destroyed, and drug molecules are redistributed and adsorbed on the walls of carbon nanotubes. We also showed (for a single case) that the rate of desorption of the drug adsorbed in this way is remarkably slower than the rate of desorption of the drug adsorbed in the form of nanoaggregates (i.e. without heating).In this way, by a simple thermal treatment of drug/nanotubes mixture, one can easily change the rate of desorption of a drug and to prepare the drug delivery system having well defined properties. Figure 1 shows selected parameters influencing the behavior of new drug delivery systems obtained using the hot-melt drug deposition process. As one can see on Fig. 1 among the most important factors influencing the properties of new carbon-based drug delivery system (for a chosen drug) we can mention: the temperature of deposition process, mixing conditions, tube properties and finally the conditions of drug delivery process (pH, T , etc.).The major aim of this communication is to estimate, for one arbitrarily chosen system, how wide range of delivery rate can be achieved by changing the values of selected parameters mentioned in Fig. 1.We choose carbon nanotubes called Baytubes C 150 HP (Bayer Material Science, Germany), characterized recently (Furmaniak et al. 2010;Wiśniewski et al. 2010). The BET surface area is equal to 198 m 2 /g, and the distribution of external diameters shows a maximum at c.a. 15 nm (Furmaniak et al. 2010). Nanotubes were mixed with paracetamol (Merck, Germany) and we present the results for a fixed (i.e. equal to 0.4) drug to carbon ratio....

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confidence: 99%

“…The BET surface area is equal to 198 m 2 /g, and the distribution of external diameters shows a maximum at c.a. 15 nm (Furmaniak et al 2010). Nanotubes were mixed with paracetamol (Merck, Germany) and we present the results for a fixed (i.e.…”

mentioning

confidence: 99%

Carbon nanotubes as potential material for drug delivery—experiment and simulation

Terzyk¹,

Wiśniewski²,

Dulska³

et al. 2012

Adsorption

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“…That is why, in the current study, we try to propose a simpler model. This model (similarly to the previous one [8]) assumes a layer-bylayer adsorption mechanism; however, only adsorption in the first layer is considered explicitly. Due to strong adsorbate-adsorbent interactions, it is assumed that the creation of the first layer can be treated independently; i.e., adsorption in subsequent layers does not influence the creation of the first layer.…”

Section: Model Formulationmentioning

confidence: 98%

“…Due to strong adsorbate-adsorbent interactions, it is assumed that the creation of the first layer can be treated independently; i.e., adsorption in subsequent layers does not influence the creation of the first layer. Taking into account previous results [8] showing that the proper description of monolayer state is only possible if the lateral adsorbate-adsorbate interactions are taken into account, it is assumed that for the first layer the Fowler-Guggenheim model is valid [9], h ¼…”

Section: Model Formulationmentioning

confidence: 99%

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The system of carbon tetrachloride and closed carbon nanotubes analyzed by a combination of molecular simulations, analytical modeling, and adsorption calorimetry

Furmaniak¹,

Terzyk²,

Rychlicki³

et al. 2010

Journal of Colloid and Interface Science

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Titanium Oxide Composites with Graphene and Laser-Induced Graphene for the Environmental Applications

Kumar

Srivastav

Singh

et al. 2021

Nanomaterials and Nanocomposites for Environmental Remediation

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Simple model of adsorption on external surface of carbon nanotubes—a new analytical approach basing on molecular simulation data

Cited by 23 publications

References 56 publications

Carbon nanotubes as potential material for drug delivery—experiment and simulation

Carbon nanotubes as potential material for drug delivery—experiment and simulation

The system of carbon tetrachloride and closed carbon nanotubes analyzed by a combination of molecular simulations, analytical modeling, and adsorption calorimetry

Titanium Oxide Composites with Graphene and Laser-Induced Graphene for the Environmental Applications

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