Physical Sciences and Mathematics Commons^™

Construction Of Accurate Molecular Models Using Laser Stereolithography And Determination Of Nmr Spectra For Amiloride Hydrochloride And Its Free Base, Ana Deborah Ofsievich

Theses

Accurate molecular models were constructed by a rapid prototyping process, called stereolithography. This process uses a computer-controlled laser to cure and solidify a photosensitive liquid polymer. Using a computer-aided design (CAD) program, spheres of appropriate van der Waals or CPK radii were drawn and placed in the three dimensional CAD space, in accordance with the atomic coordinates obtained from quantum mechanical calculations and from neutron diffraction data. These design data were used to drive the stereolithography system where the models were built in the same shape as the CAD image. The models built for the purpose of this work consisted …