Tailoring Drug Mobility by Photothermal Heating of Graphene Plasmons

Abstract

A theoretical approach to quantitatively determine the photothermally driven enhancement of molecular mobility of graphene‐indomethacin mixtures under infrared laser irradiation is proposed. Graphene plasmons absorb incident electromagnetic energy and dissipate them into heat. The absorbed energy depends on optical properties of graphene plasmons, which are sensitive to structural parameters, and concentration of plasmonic nanostructures. By using theoretical modelling, temperature gradients of the bulk drug with different concentrations of graphene plasmons are calculated. From these, the temperature dependence of structural molecular relaxation and diffusion of indomethacin are determined and how the heating process significantly enhances the drug mobility is found out.

Screening and collective effects in randomly pinned fluids: a new theoretical framework

“…The comparison requires a thermal mapping to convert from an effective hard-sphere volume fraction into temperature. In prior works [22][23][24][25][26][27], we formulated a universal correlation between density and temperature for various amorphous materials based on thermal expansion process. The thermal mapping is…”

“…where T g,bulk and Φ g are the bulk glass transition temperature and the glass transition volume fraction, respectively, defined by τ α (Φ g ) = τ α (T g,bulk ) = 100s, β = 12 × 10 −4 K −1 is an effective thermal expansion coefficient, and Φ 0 = 0.5 is a characteristic volume fraction [22][23][24][25][26][27]. Equation ( 13) is a minimalist conversion and all chemical/conformational complexities of molecules are encoded in T g,bulk .…”

“…[41], authors measure the self diffusion constant in transiently heated water films as a function of temperature, D(T ). In the framework of ECNLE theory [25][26][27], the relation between the structural relaxation time and diffusion constant is D(T ) = ∆r 2 /6τ α (T ). Thus, by approximating ∆r ≈ 0.5d = 1.5 Å, it is possible for us to deduce τ α (T ) from diffusion data.…”

“…is an effective thermal expansion coefficient, and Φ 0 = 0.5 is a characteristic volume fraction [22][23][24][25][26][27]. Equation ( 13) is a minimalist conversion and all chemical/conformational complexities of molecules are encoded in T g,bulk .…”

“…Recently, Elastically collective nonlinear Langevin * Electronic address: anh.phanduc@phenikaa-uni.edu.vn equation (ECNLE) theory has described qualitatively and quantitatively the alpha and beta relaxation, fragility, diffusion constant, and mechanical properties of various single-component materials, composites, and films [19][20][21][22][23][24][25][26][27][28][29][30][31]. Basically, the theory views a relaxation event as a combination of two distinctive but strongly related processes: cage-scale hopping and the long range elastically collective rearrangement of surrounding particles.…”