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Title: Solution Behavior of a Sugar-based Carborane for Boron Neutron Capture Therapy: a Nuclear Magnetic Resonance Investigation
Authors: Bonechi, Claudia 
Ristori, S
Martini, S
Panza, L
Martini, G
Rossi, Claudio 
Donati, Alessandro 
Keywords: Carborane; BNCT; Carbon relaxation rate; Carborane aggregates
Issue Date: 2007
Project: None 
The physico-chemical properties of β-lactosyl-closo-orthocarborane in water solution were investigated by multinuclear NMR,13C NMR relaxation, and ab-initio calculations. This molecule represents a potentially selective boron carrier in Boron Neutron Cancer Therapy (BNCT) and exhibits amphiphilic characteristics. Its structural and dynamic features were studied comparing NMR data acquired in both aggregating and non-aggregating conditions. Aggregates are characterized by rapid exchange with the bulk and by high sensitivity to temperature conditions. An unusually stable intra-molecular CH....O hydrogen bond was found to persist in water solution both for the free molecules and after aggregate formation. At the same time, inter-molecular specific CH ...O interactions do not seem effective in the aggregate formation process, which appears to take place only on non-specific hydrophobic basis.
ISSN: 0301-4622
DOI: 10.1016/j.bpc.2006.09.004
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