Ricerc@Sapienza

Supramolecular chemistry is the chemistry of molecular aggregates assembled by intermolecular forces of different nature such as electrostatic (hydrogen and halogen bonds) and dispersive forces. The main components of DNA and RNA are nucleobases (cytosine, guanine, adenine, thymine and uracil) held together by non-covalent
interactions determining highly specific functions, i.e. molecular recognition. Hydrogen and halogen bonds, and dispersive interactions all need to be accurately described in order to explain and control RNA and DNA sequence, structure and flexibility which are still only partially understood. Moreover, unusual DNA
nucleobases, identified as 5-substituted cytosine, have been detected in brain cells recently leading to a new research field that has only very little published literature
as yet. In this project, we aim to combine single-crystal X-ray diffraction (XRD), atomic force microscopy (AFM), molecular modeling and thermodynamic
measurements to fully describe DNA/RNA old and newly-detected nucleobases (in homomers and heteromers association) in 2D and 3D aggregates. 2D systems are
formed by immobilizing molecules on a substrate and the combined interactions among the adsorbates and the surface lead to molecular networks. 3D aggregates are
obtained by growing single crystals. The detailed molecular-level investigation of these interactions is of significant importance in the study of the DNA/RNA
structure and properties: a change in the interactions between nucleobases can lead to genetic mutation and tumor formation. Hence the investigation of these systems
is critically relevant in a large and varied range of fields, such as medicine, biochemistry and bioengineering of nano-systems