QSAR/QSPR modeling for development of apatasensor and radio therapy dosimeter and 3D CNNEDPL system for ligand binding surface generation
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Authors
Zhang, Ni
Issue Date
2018-12
Type
Electronic thesis
Thesis
Thesis
Language
ENG
Keywords
Chemistry
Alternative Title
Abstract
Another computational study in dosimetry response was also performed to address deficiencies in current technologies. Existing dosimeters in clinical use in radiation therapy have the drawbacks of high cost, loss of readout and lack of sensitivity. We developed a computationally enabled facile, robust and biocompatible dosimeter with amino acid capping gold nanoparticles in the hydrogel that would be sensitive in the low range of radiation doses. The resulting QSAR models were employed in the parallel screening of amino acids to identify the physico-chemical properties required for high sensitivity in the formation of gold nanoparticles and determine the lead component of a hydrogel nanosensor. The engineered hydrogel nanosensor shows high potential for translation because of its ease of fabrication, operation and readout in addition to being biocompatible making it a superior replacement to succeed existing commercial dosimeters in the clinic.
Description
December 2018
School of Science
School of Science
Full Citation
Publisher
Rensselaer Polytechnic Institute, Troy, NY