ELFT HÍRADÓ

[Szeminárium koordinátor <sem-admin AT wigner.hun-ren.hu>]

SZFI SeminarPothoczki SzilviaHUN-REN Wigner RCP SZFIHydration of saccharide 
moleculesTuesday, 24 March 2026, 10:00, KFKI Campus, Bldg. 1, 2nd floor, 
Conference RoomSaccharides (carbohydrates) are essential biomolecules whose 
basic building blocks are monosaccharides. Although monosaccharides are 
generally considered hydrophilic compounds, they have substantial 
hydrophobicity that varies with their structure. The competition of the 
intramolecular H-bonds with the intermolecular ones, which are formed between 
the monosaccharide and the water molecules, along with the hydrophobic 
interactions, determines the solvation shell of these molecules.In this 
presentation, various isomers of D-glucose are considered whose molecular 
structures are very similar, yet their basic properties, such as water 
solubility, can differ significantly. We have calculated various properties 
that characterize the hydration of the monosaccharide molecules and reveal 
their differences. Using classical and ab initio molecular dynamics 
simulations provides a very strong base for our results. The second part of 
the talk will focus on a more complex oligosaccharide, the hydration 
properties of the cyclodextrin molecule. Minden érdeklődőt szívesen 
látunk! - Everyone is welcome to attend.Tamás 
Pusztaisem-admin AT wigner.hun-ren.hu