Research

Unexpected Cholesterol-Induced Destabilization of Lipid Membranes near Transmembrane Carbon Nanotubes

Phys. Rev. Lett. 124(3), 038001 (2020)
Yachong Guo, Marco Werner, Jean Baptiste Fleury and Vladimir A. Baulin

Cholesterol is a crucial component of mammalian cell membranes that takes part in many vital processes. It is generally accepted that cholesterol stabilizes the membrane and induces transitions into ordered states. In contrast to expectations, we demonstrate that cholesterol can […]

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Tension-Induced Translocation of Ultra-Short Carbon Nanotube through a Phospholipid Bilayer

ACS Nano, November (2018)
Yachong Guo, Marco Werner, Ralf Seemann, Vladimir A Baulin, and Jean-Baptiste Fleury
Increasing awareness of bioeffects and toxicity of nanomaterials interacting with cells puts in focus the mechanisms by which nanomaterials can cross lipid membranes. Apart from well-discussed energy-dependent endocytosis for large objects and passive diffusion through membranes by solute molecules, there can […]

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Bactericidal activity of self-assembled palmitic and stearic fatty acid crystals on highly ordered pyrolytic graphite

Acta Biomaterialia, 59, 148-157 (2017).
Elena P. Ivanova, Song Ha Nguyen, Yachong Guo, Vladimir A. Baulin, Hayden K. Webb, Vi Khanh Truong, Jason V. Wandiyanto, Christopher J. Garvey, Peter
J. Mahon, David E. Mainwaring, Russell J. Crawford
The wings of insects such as cicadas and dragonflies have been found to exhibit nanostructure arrays that are assembled from fatty acids, […]

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Apatite nanoparticles strongly improve red blood cell cryopreservation by mediating trehalose delivery via enhanced membrane permeation

Biomaterials, 140, 138-149 (2017).
Martin Stefanic, Kevin Ward, Harvey Tawfik, Ralf Seemann, Vladimir Baulin, Yachong Guo, Jean-Baptiste Fleury, Christophe Drouet
Cryopreservation of red blood cells (RBC) is an important method for maintaining an inventory of rare RBC units and managing special transfusion circumstances. Currently, in a clinical setting, glycerol is used as cryoprotectant against freezing damage. After […]

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GPU implementation of the Rosenbluth generation method for static Monte Carlo simulations

Computer Physics Communications, 216, 95–101(2017).
Yachong Guo, Vladimir A. Baulin
We present parallel version of Rosenbluth Self-Avoiding Walk generation method implemented on Graphics Processing Units (GPUs) using CUDA libraries. The method scales almost linearly with the number of CUDA cores and the method efficiency has only hardware limitations. The method is introduced in two realizations: on a […]

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Direct proof of spontaneous translocation of lipid-covered hydrophobic nanoparticles through a phospholipid bilayer

Science Advances 2 (11), e1600261 (2016)
Yachong Guo, Emmanuel Terazzi, Ralf Seemann, Jean Baptiste Fleury and Vladimir A. Baulin

Hydrophobic nanoparticles introduced into living systems may lead to increased toxicity, can activate immune cells, or can be used as nanocarriers for drug or gene delivery. It is generally accepted that small hydrophobic nanoparticles are blocked by lipid bilayers and accumulate in the […]

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Peroxidised phospholipid bilayers: insight from Coarse-Grained Molecular Dynamics simulations

Soft Matter, 12, 263-271 (2016)
Yachong Guo, Vladimir Baulin and Fabrice Thalmann

An original coarse-grained model for peroxidised phospholipids is presented, based on the MARTINI lipid force field. This model results from a combination of thermodynamic modelling and structural information on the area per lipid, which have been made available recently. The resulting coarse-grained lipid molecules form stable bilayers, […]

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Graphene Induces Formation of Pores That Kill Spherical and Rod-Shaped Bacteria

ACS Nano, DOI: 10.1021/acsnano.5b03368 (2015)
Vy T. H. Pham, Vi Khanh Truong, Matthew D. J. Quinn, Shannon M. Notley, Yachong Guo, Vladimir A. Baulin, Mohammad Al Kobaisi, Russell J. Crawford, and Elena P. Ivanova

Pristine graphene, its derivatives, and composites have been widely reported to possess antibacterial properties. Most of the studies simulating the interaction between bacterial cell […]

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Association of polymers and small solute molecules with phospholipid membranes

Theoretical physics, theory in soft matter, computer simulations

Objectives
In many cases the properties of cell membranes are modified through biopolymers and small solute molecules such as anesthetics or neurotransmitters. They can associate to membranes and significantly alter their structure, either thermodynamic state or induce reorganization in form of pores. The project aims to describe the fundamental […]

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General model of phospholipid bilayers in fluid phase within the single chain mean field theory

J. Chem. Phys. 140, 174903 (2014)
Yachong Guo, Sergey Pogodin and Vladimir A. Baulin

Coarse-grained model for saturated phospholipids: 1,2-didecanoyl-sn-glycero-3-phosphocholine (DCPC), 1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC), 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC), 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), 1,2-distearoyl-sn-glycero-3-phosphocholine (DSPC) and unsaturated phospholipids: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC), 1,2- dioleoyl-sn-glycero-3-phosphocholine (DOPC) is introduced within the single chain mean field theory. A single set of parameters adjusted for DMPC bilayers gives an adequate description […]

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Nanotopography as a trigger for the microscale, autogenous and passive lysis of erythrocytes

J. Mater. Chem. B, 2 (19), 2785-2948 (2014)
Vy T. H. Pham, Vi Khanh Truong, David E. Mainwaring, Yachong Guo, Vladimir Baulin, Mohammad Al Kobaisi,   Gediminas Gervinskas, Saulius Juodkazis, Wendy R. Zeng, Pauline Doran, Russell J Crawford and Elena P. Ivanova

Microscale devices are increasingly being developed for diagnostic analysis although conventional lysis as an initial step presents […]

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Lipid oxidation induces structural changes in biomimetic membranes

Soft Matter, 10, 4241-4247 (2014)
G. Weber, T. Charitat, M. S. Baptista, A. F. Uchoa, C. Pavani, H. C. Junqueira, Y. Guo, V. A. Baulin, R. Itri, C. M. Marques, A. P. Schroder

Oxidation can intimately influence and structurally compromise the levels of biological self-assembly embodied by intracellular and plasma membranes. Lipid peroxidation, a natural metabolic outcome of […]

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