Molecular dynamics simulations of amino acid adsorption and transport at the acetonitrile–water–silica interface: the role of side chains

With the large-scale applications of cryopreservation technology in the cell therapy fields, traditional permeable cryoprotectants (CPAs) have led to serious issues, such as cell cycle arrest, inhibition of cell proliferation and differentiation, apoptosis, altered gene expression, etc. Development of green, non-toxic cryoprotectants is critically needed. Amino acids could serve as substrates for protein and cellular metabolism and as cryoprotectants with non-toxicity, balancing the intracellular water osmotic pressure. Current research on amino acids as cryoprotectants is hindered by several limitations, including unclear protection mechanisms, cryopreservation methods, and poor efficacy of individual formulations. Therefore, three specific amino acids and derivatives, including L-proline, L-carnitine, and betaine, as cryoprotectants were used for two types of cell cryopreservation. Single-factor experiments were conducted to obtain the optimal concentration range for each of the three amino acid cryoprotectants. On the basis of the key thermophysical parameters, the ability to inhibit ice crystals, and the effect after cryopreservation, multivariate orthogonal experiments were carried out to evaluate the actual effect of the three-component mixed cryoprotectant on cell cryopreservation. In comparison to the gold standard of 10% dimethyl sulfoxide (DMSO) for cell cryopreservation, the mixed cryoprotectant derived from amino acids achieves comparable preservation efficacy at lower concentrations with a convenient application method, which offers guidance for DMSOfree cryoprotectants.

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Deciphering amino acid adsorption on PVC surface: insights from molecular dynamics and PMF calculations

Saleh,

Malfreyt,

Sahihi

2024

New J. Chem.

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Molecular dynamics simulations of amino acid adsorption and transport at the acetonitrile–water–silica interface: the role of side chains

Abstract: The solvation and transport of amino acid residues at liquid–solid interfaces have great importance for understanding the mechanism of separation of biomolecules in liquid chromatography.

Cited by 3 publications

References 76 publications

Label-free colorimetric analysis strategies based on adsorption-responsive surface-enhanced photochromic phenomena of tungsten(VI) oxide nanoparticles for amino acids

Label-free colorimetric analysis strategies based on adsorption-responsive surface-enhanced photochromic phenomena of tungsten(VI) oxide nanoparticles for amino acids

Dimethyl-Sulfoxide-Free Cell Cryoprotectant Derived from Amino Acids

Deciphering amino acid adsorption on PVC surface: insights from molecular dynamics and PMF calculations

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