Session: COMP Poster Session:

Although advances in cancer treatment are being made, these solutions simultaneously harm healthy, rapidly growing cells that surround the tumor site. This research aims to discover a novel treatment through a study of Boranes, specifically their role in Boron Neutron Capture Treatment (BNCT). BNCT entails a fusion of Boron-10 and neutrons to produce particles that destroy the tumor cell without damaging the surrounding tissue.
Boranes and other Boron derivatives (e.g. BSH) were identified, modeled, and analyzed to measure thermodynamic efficiency. An optimization tool was utilized to determine the optimization energy and Electrostatic Potential Map (EPM) of each molecule. Molecular weight, estimated dipole moment, and the number of atoms and bonds were also recorded.
In this paper, a proportional relationship between molecular weight and optimization energy was established. These findings exclude BSH-L1-CNT: a molecule with a lower weight but higher optimization energy than BSH-L2-CNT.
The estimated dipole moment of BSH-L1-CNT is 83.5 Debyes, but the dipole moment of other molecules (e.g. BSH-L2-CNT) is nonexistent. This indicates that BSH-L1-CNT is more polar and therefore could be water soluble. The BSH-CNTs have more optimization energy than the BSHs, suggesting that the attachment of CNTs fail to thoroughly stabilize BNCT agents.

BSH-L2-CNT

Dr. Richard Kyung

Director, CRG-NJ

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