Effect of monoglycerides and fatty acids on a ceramide bilayer (2016)
Journal Article
ceramide bilayer. Physical Chemistry Chemical Physics, 18, 17446 -17460. https://doi.org/10.1039/c6cp01238h

Monoglycerides and unsaturated fatty acids, naturally present in trace amounts in the stratum corneum (top layer of skin) lipid matrix, are commonly used in pharmaceutical, cosmetic and health care formulations. However, a detailed molecular understa... Read More about Effect of monoglycerides and fatty acids on a ceramide bilayer.

Thermodynamics of the self-assembly of non-ionic chromonic molecules using atomistic simulations. The case of TP6EO2M in aqueous solution (2014)
Journal Article
The case of TP6EO2M in aqueous solution. Soft Matter, 11(4), 680-691. https://doi.org/10.1039/c4sm02275k

Atomistic molecular dynamic simulations have been performed for the non-ionic chromonic liquid crystal 2,3,6,7,10,11-hexa-(1,4,7-trioxa-octyl)-triphenylene (TP6EO2M) in aqueous solution. TP6EO2M molecules consist of a central poly-aromatic core (a tr... Read More about Thermodynamics of the self-assembly of non-ionic chromonic molecules using atomistic simulations. The case of TP6EO2M in aqueous solution.

Colloidal interactions induced by overlap of mixed protein+polysaccharide interfacial layers (2014)
Journal Article
Ettelaie, R., & Akinshina, A. (2014). Colloidal interactions induced by overlap of mixed protein+polysaccharide interfacial layers. Food Hydrocolloids, 42(Part 1), 106-117. https://doi.org/10.1016/j.foodhyd.2014.01.020

Colloidal interaction potentials induced by the overlap of mixed protein + polysaccharide interfacial layers, formed solely as a result of electrostatic attraction between these two biopolymers, have been calculated using the Self Consistent Field Th... Read More about Colloidal interactions induced by overlap of mixed protein+polysaccharide interfacial layers.

Self-consistent field theory for the interactions between keratin intermediate filaments (2013)
Journal Article
Akinshina, A., Jambon-Puillet, E., Warren, P., & Noro, M. (2013). Self-consistent field theory for the interactions between keratin intermediate filaments. BMC Biophysics, 6(1), 12. https://doi.org/10.1186/2046-1682-6-12

Background: Keratins are important structural proteins found in skin, hair and nails. Keratin Intermediate Filaments are major components of corneocytes, nonviable horny cells of the Stratum Corneum, the outermost layer of skin. It is considered that... Read More about Self-consistent field theory for the interactions between keratin intermediate filaments.

Mixed protein–polysaccharide interfacial layers : effect of polysaccharide charge distribution (2012)
Journal Article
Ettelaie, R., Akinshina, A., & Maurer, S. (2012). Mixed protein–polysaccharide interfacial layers : effect of polysaccharide charge distribution. Soft Matter, 8(29), 7582. https://doi.org/10.1039/C2SM25803J

The influence of the polysaccharide charge distribution on the structure, thickness, and charge reversal of the interfacial layers, formed by adsorbed positively charged protein and oppositely charged polysaccharide, has been investigated using a lat... Read More about Mixed protein–polysaccharide interfacial layers : effect of polysaccharide charge distribution.

Phase phenomena in supported lipid films under varying electric potential (2010)
Journal Article
Brukhno, A., Akinshina, A., Coldrick, Z., Nelson, A., & Auer, S. (2011). Phase phenomena in supported lipid films under varying electric potential. Soft Matter, 7(3), 1006-1017. https://doi.org/10.1039/C0SM00724B

We model cyclic voltammetry experiments on supported lipid films where a non-trivial dependence of the capacitance on the applied voltage is observed. Previously, based on a mean-field treatment of the Flory–Huggins type, under the assumption of stro... Read More about Phase phenomena in supported lipid films under varying electric potential.

A theoretical self-consistent field study of mixed interfacial biopolymer films (2009)
Book Chapter
Ettelaie, R., Akinshina, A., & Dickinson, E. (2009). A theoretical self-consistent field study of mixed interfacial biopolymer films. In Micro/Nanoencapsulation of Active Food Ingredients (46-66). ACS Publications. https://doi.org/10.1021/bk-2009-1007.ch003

The adsorption of a linear polyelectrolyte onto an existing layer of protein at an interface has been investigated. Calculations using a simple model, involving only the short range interactions, show that the polyelectrolyte forms a more extended di... Read More about A theoretical self-consistent field study of mixed interfacial biopolymer films.

Mixed protein–polysaccharide interfacial layers : a self consistent field calculation study (2008)
Journal Article
Ettelaie, R., Akinshina, A., & Dickinson, E. (2008). Mixed protein–polysaccharide interfacial layers : a self consistent field calculation study. Faraday Discussions, 139, 161. https://doi.org/10.1039/B717199D

Mixed interfacial films of protein and polysaccharide have been investigated using self consistent field (SCF) calculations. The colloidal interactions mediated by such composite layers between two approaching surfaces have been considered. Two types... Read More about Mixed protein–polysaccharide interfacial layers : a self consistent field calculation study.

Interactions between adsorbed layers of αS1-Casein with covalently bound side chains : a self-consistent field study (2008)
Journal Article
Akinshina, A., Ettelaie, R., Dickinson, E., & Smyth, G. (2008). Interactions between adsorbed layers of αS1-Casein with covalently bound side chains : a self-consistent field study. Biomacromolecules, 9(11), 3188-3200. https://doi.org/10.1021/bm800771t

The effect on the adsorbed layer properties of the modification of αS1-casein by covalent bonding with an uncharged polysaccharide side chain has been investigated using lattice-based self-consistent field (SCF) theory. Interactions between two hydro... Read More about Interactions between adsorbed layers of αS1-Casein with covalently bound side chains : a self-consistent field study.

Diblock polyampholytes grafted onto spherical particles : effect of stiffness, charge density, and grafting density (2007)
Journal Article
Akinchina, A., & Linse, P. (2007). Diblock polyampholytes grafted onto spherical particles : effect of stiffness, charge density, and grafting density. Langmuir, 23(3), 1465-1472. https://doi.org/10.1021/la062481r

The structure of spherical brushes formed by symmetric diblock polyampholytes end-grafted onto small spherical
particles in aqueous solution is examined within the framework of the so-called primitive model using Monte Carlo
simulations. The proper... Read More about Diblock polyampholytes grafted onto spherical particles : effect of stiffness, charge density, and grafting density.

Diblock polyampholytes grafted onto spherical particles : Monte Carlo simulation and lattice mean-field theory (2004)
Journal Article
Akinchina, A., Shusharina, N., & Linse, P. (2004). Diblock polyampholytes grafted onto spherical particles : Monte Carlo simulation and lattice mean-field theory. Langmuir, 20(23), 10351-10360. https://doi.org/10.1021/la0490386

Spherical brushes composed of diblock polyampholytes (diblock copolymers with oppositely charged
blocks) grafted onto solid spherical particles in aqueous solution are investigated by using the primitive
model solved with Monte Carlo simulations an... Read More about Diblock polyampholytes grafted onto spherical particles : Monte Carlo simulation and lattice mean-field theory.

Monte Carlo simulations of polyion−macroion complexes. 2. Polyion length and charge density dependence (2003)
Journal Article
Akinchina, A., & Linse, P. (2003). Monte Carlo simulations of polyion−macroion complexes. 2. Polyion length and charge density dependence. Journal of Physical Chemistry B, 107(32), 8011-8021. https://doi.org/10.1021/jp022460f

The complexation between a polyion and an oppositely charged spherical macroion in the framework of the
primitive model has been studied by the use of Monte Carlo simulations. The polyion length, linear charge
density, and bare persistence length a... Read More about Monte Carlo simulations of polyion−macroion complexes. 2. Polyion length and charge density dependence.

Monte Carlo simulations of polyion−macroion complexes. 1. Equal absolute polyion and macroion charges (2002)
Journal Article
Akinshina, A., & Linse, P. (2002). Monte Carlo simulations of polyion−macroion complexes. 1. Equal absolute polyion and macroion charges. Macromolecules, 35(13), 5183-5193. https://doi.org/10.1021/ma012052u

Intermolecular structures of complexes formed between a charged polymer and a spherical
and oppositely charged macroion have been studied by employing the primitive model solved by Monte
Carlo simulations. The strong-complex case involving a polyio... Read More about Monte Carlo simulations of polyion−macroion complexes. 1. Equal absolute polyion and macroion charges.