Continuum Modelling for Encapsulation of Anticancer Drugs inside Nanotubes

Nanotubes, such as those made of carbon, silicon, and boron nitride, have attracted tremendous interest in the research community and represent the starting point for the development of nanotechnology. In the current study, the use of nanotubes as a means of drug delivery and, more specifically, for cancer therapy, is investigated. Using traditional applied mathematical modelling, I derive explicit analytical expressions to understand the encapsulation behaviour of drug molecules into different types of single-walled nanotubes. The interaction energies between three anticancer drugs, namely, cisplatin, carboplatin, and doxorubicin, and the nanotubes are observed by adopting the Lennard–Jones potential function together with the continuum approach. This study is focused on determining a favourable size and an appropriate type of nanotube to encapsulate anticancer drugs. The results indicate that the drug molecules with a large size tend to be located inside a large nanotube and that encapsulation depends on the radius and type of the tube. For the three nanotubes used to encapsulate drugs, the results show that the nanotube radius must be at least 5.493 Å for cisplatin, 6.452 Å for carboplatin, and 10.208 Å for doxorubicin, and the appropriate type to encapsulate drugs is the boron nitride nanotube. There are some advantages to using different types of nanotubes as a means of drug delivery, such as improved chemical stability, reduced synthesis costs, and improved biocompatibility.

Richards' equation reconsidered

Semi-continuum modelling of unsaturated porous media flow is based on representing the porous medium as a grid of non-infinitesimal blocks that retain the character of a porous medium. Semi-continuum model is able to physically correctly describe diffusion-like flow, finger-like flow, and the transition between them. This article presents the limit of the semi-continuum model as the block size goes to zero. In the limiting process, the retention curve of each block scales with the block size and in the limit becomes a hysteresis operator of the Prandtl-type used in elasto-plasticity models. Mathematical analysis showed that the limit of the semi-continuum model is a partial differential equation with a hysteresis operator of Prandl's type. This limit differs from the standard Richards' Equation (RE), which is not able to describe finger-like flow. Since the physics behind both RE and the semi-continuum model is almost the same, we suggest a way to reformulate the RE so that it retains the ability to describe finger-like flow. We conclude that RE should be reconsidered by means of appropriate modelling of the hysteresis and correct scaling of the retention curve.