Nanoconfined water within topologically distinct mesophases: an atomistic and ultrafast study - Eva Maria Zunzunegui-Bru (LEPMI, Grenoble)

The rapid advancement in life and technological processes in our era demands continuous optimization, underpinned by a fundamental understanding of the mechanisms that rule their performance. Specifically, at the microscale, nanoconfined water presents properties fundamentally distinct from its bulk counterpart, due to the disruption of its hydrogen-bond network. This disruption is influenced by the chemical nature, level of confinement, and geometrical and topological features of confinement media, and its understanding unlocks potential innovative applications.
In this talk, I will discuss my work on lipid cubic mesophases — pivotal in biochemical, pharmaceutical, food, and material science applications— whose intricate topological and geometrical environment makes their atomic-scale characterization a daunting challenge. We have advanced in this quest, presenting a novel protocol for atomistic simulations whose synergistic combination with terahertz absorption spectroscopy — resolving the picosecond timescale — provides a thorough characterization of the disruption of the hydrogen-bond network of water. This framework deepens the understanding of the structure and dynamics of water within topologically distinct monolinolein and phytantriol mesophases, across temperatures, confinement levels, and interactions with guest molecules.

Contact: Simon Gravelle