Nanomedicine by extended non-equilibrium thermodynamics: cell membrane diffusion and scaffold medication release

Hatim Machrafi; Hatim Machrafi

doi:10.3934/mbe.2019095

Mathematical Biosciences and Engineering

2019, Volume 16, Issue 4: 1949-1965. doi: 10.3934/mbe.2019095

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Nanomedicine by extended non-equilibrium thermodynamics: cell membrane diffusion and scaffold medication release

Hatim Machrafi ^{1,2,3
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1.
Thermodynamics of Irreversible Phenomena, University of Liège, Liège, Belgium
2.
Physical Chemistry Group, Université libre de Bruxelles, Brussels, Belgium
3.
GIGA-In Silico Medicine, University of Liège, Liège, Belgium

Received: 17 December 2018 Accepted: 15 February 2019 Published: 07 March 2019

In nanomedicine, an increasing interest has been allotted to local administration of drugs. For this to be efficient, some of the most important issues are to control or improve the drug release from scaffolds porting the medication and the drug uptake through the cell membranes. Next to in vitro experiments, models can provide for important information. Theories and models that account for the size of the scaffolds and cell membranes, as well as the relaxation time of drug molecules, are necessary in order to contribute to a better understanding. As microscopic models are not easy to implement in real-life applications, we propose a model, based on new developments in Extended Non-Equilibrium Thermodynamics, to analyse drug diffusion through cell membranes and drug release from scaffolds. Our model, although treating nano- and microscopic phenomena, gives well-defined macroscopic results that can readily be applied and compared to experiments, giving it high accessibility. It appears that non-local effects should be reduced in order to enhance medication permeation, whether it be through scaffold release or through a cell membrane. This can be done by controlling the size of the medication and its relaxation time, e.g. by surface functionalization. The latter is shown by introducing a slip factor, which confirms that a higher slip at the scaffold pore walls leads to an increase in the medication delivery.
- cell membrane diffusion,
- scaffold medication release,
- extended thermodynamics,
- non-local effects,
- nanomedicine
Citation: Hatim Machrafi. Nanomedicine by extended non-equilibrium thermodynamics: cell membrane diffusion and scaffold medication release[J]. Mathematical Biosciences and Engineering, 2019, 16(4): 1949-1965. doi: 10.3934/mbe.2019095

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Abstract

In nanomedicine, an increasing interest has been allotted to local administration of drugs. For this to be efficient, some of the most important issues are to control or improve the drug release from scaffolds porting the medication and the drug uptake through the cell membranes. Next to in vitro experiments, models can provide for important information. Theories and models that account for the size of the scaffolds and cell membranes, as well as the relaxation time of drug molecules, are necessary in order to contribute to a better understanding. As microscopic models are not easy to implement in real-life applications, we propose a model, based on new developments in Extended Non-Equilibrium Thermodynamics, to analyse drug diffusion through cell membranes and drug release from scaffolds. Our model, although treating nano- and microscopic phenomena, gives well-defined macroscopic results that can readily be applied and compared to experiments, giving it high accessibility. It appears that non-local effects should be reduced in order to enhance medication permeation, whether it be through scaffold release or through a cell membrane. This can be done by controlling the size of the medication and its relaxation time, e.g. by surface functionalization. The latter is shown by introducing a slip factor, which confirms that a higher slip at the scaffold pore walls leads to an increase in the medication delivery.

References

[1]	H. Machrafi, Extended non-equilibrium thermodynamics: from principles to applications in nanosystems, Taylor & Francis Group (CRC Press), (2019).
[2]	W. A. Banks, From blood-brain barrier to blood-brain interface: New opportunities for CNS drug delivery, Nature Rev. Drug Disc., 15 (2016), 275–292.
[3]	S. Uppal, K. S. Italiya, D. Chitkara, et al., Nanoparticulate-based drug delivery systems for small molecule anti-diabetic drugs: An emerging paradigm for effective therapy, Acta Biomaterialia, 81 (2018), 20–42.
[4]	V. Francia, A. Aliyandi and A. Salvati, Effect of the development of a cell barrier on nanoparticle uptake in endothelial cells, Nanoscale, 10 (2018), 16645–16656.
[5]	C. L. Ventola, The nanomedicine revolution: part 1: emerging concepts, Pharm. Therap., 37 (2012), 512–525.
[6]	C. H. Lin, C. H. Chen, Z. C. Lin, et al., Recent advances in oral delivery of drugs and bioactive natural products using solid lipid nanoparticles as the carriers, J. Food Drug Analys., 25 (2017), 219–234.
[7]	J. Shi, P. W. Kantoff, R. Wooster, et al., Cancer nanomedicine: progress, challenges and opportunities, Nature Rev. Canc., 17 (2017), 20–37.
[8]	H. Nehoff, N. N. Parayath, L. Domanovitch, et al., Nanomedicine for drug targeting: strategies beyond the enhanced permeability and retention effect, Int. J. Nanomed., 9 (2014), 2539–2555.
[9]	J. Alsenz and E. Haenel, Development of a 7-day, 96-well Caco-2 permeability assay with high-throughput direct UV compound analysis, Pharmac. Res., 20 (2003), 1961–1969.
[10]	K. J. Lee, N. Johnson, J. Castelo, et al., Effect of experimental pH on the in vitro permeability in intact rabbit intestines and Caco-2 monolayer, Europ. J. Pharmac. Sci., 25 (2005), 193–200.
[11]	V. E. Thiel-Demby, J. E. Humphreys, S. L. A. Williams, et al., Biopharmaceutics classification system: validation and learnings of an in vitro permeability assay, Molec. Pharmac., 6 (2009), 11–18.
[12]	K. M. M. Doan, Passive permeability and P-glycoprotein-mediated efflux differentiate central nervous system (CNS) and non-CNS marketed drugs, J. Pharmac. Exp. Therap., 303 (2002), 1029–1037.
[13]	P. Garberg, M. Ball, N. Borg, et al., In vitro models for the blood-brain barrier, Toxico. Vitro, 19 (2005), 299–334.
[14]	J. M. Diamond and Y. Katz, Interpretation of nonelectrolyte partition coefficients between dimyristoyl lecithin and water, J. Membr. Biol., 17 (1974), 121–154.
[15]	K. Bittermann and K. U. Goss, Predicting apparent passive permeability of Caco-2 and MDCK cell-monolayers: A mechanistic model, PLoS ONE, 12 (2017), e0190319.
[16]	A. T. Heikkinen, J. Mönkkönen and T. Korjamo, Determination of permeation resistance distribution in in vitro cell monolayer permeation experiments, Europ. J. Pharmac. Sci., 40 (2010), 132–142.
[17]	A. Avdeef, Absorption and drug development: solubility, permeability, and charge state, John Wiley & Sons, (2012).
[18]	H. Machrafi and G. Lebon, General constitutive equations of heat transport at small length scales and high frequencies with extension to mass and electrical charge transport, Appl. Math. Lett., 52 (2016), 30–37.
[19]	D. Jou, J. Casas-Vazquez and G. Lebon, Extended Irreversible Thermodynamics, fourth ed. Springer-Verlag, (2010).
[20]	C. Cattaneo, Sulla conduzione del calore, Atti del Sem. Mat. Fis. Univ. Mod., 3 (1948), 83–101.
[21]	S. M. Longshaw, M. K. Borg, S. B. Ramisetti, et al., mdFoam+: Advanced molecular dynamics in OpenFOAM, Comp. Phys. Comm., 224 (2018), 1–21.
[22]	H. Machrafi and G. Lebon, The role of several heat transfer mechanisms on the enhancement of thermal conductivity in nanofluids, Contin. Mech. Therm., 28 (2016), 1461–1475.
[23]	H. Machrafi and G. Lebon, Fluid flow through porous and nanoporous media within the prisme of extended thermodynamics: emphasis on the notion of permeability, Microfluidics Nanofluidics, 22 (2018), 65.
[24]	G. Lebon, H. Machrafi, M. Grmela, et al., An extended thermodynamic model of transient heat conduction at sub-continuum scales, Proc. Roy. Soc. A, 467 (2011), 3241–3256.
[25]	H. Machrafi, Temperature distribution through a nanofilm by means of a ballistic-diffusive approach, Inventions, 4 (2019), 2.
[26]	X. Y. Li, K. Nan, H. Chen, et al., Preparation and characterization of chitosan nanopores membranes for the transport of drugs, Int. J. Pharmac., 420 (2011), 371–377.
[27]	S. S. Leung, D. Sindhikara and M. P. Jacobson, Simple predictive models of passive membrane permeability incorporating size-dependent membrane-water partition, J. Chem. Inf. Mod., 56 (2016), 924–929.
[28]	R. V. Swift and R.E. Amaro, Modeling the pharmacodynamics of passive membrane permeability, J. Comp.-Aid. Mol. Des., 25 (2011), 1007–1017.
[29]	J. Li, C. Fan, H. Pei, et al., Smart drug delivery nanocarriers with self-assembled DNA nanostructures, Adv. Mat., 25 (2013), 4386–4396.
[30]	X. Zhang, J. Tu, D. Wang, et al., Programmable and multifunctional DNA-based materials for biomedical applications, Adv. Mat., 30 (2018), 1703658.
[31]	X. Qu, S. Wang, Z. Ge, et al., Programming cell adhesion for on-chip sequential boolean logic functions, J. Am. Chem. Soc., 139 (2017), 10176–10179.

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