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Full-Text Articles in Physical Sciences and Mathematics
Guest-Host Chemistry Of P-Sulfonatocalix[6]Arene And Nizatidine, Galia Debelouchina
Guest-Host Chemistry Of P-Sulfonatocalix[6]Arene And Nizatidine, Galia Debelouchina
Honors Theses
This work investigates the guest-host chemistry in water of p-sulfonatocalix[6]arene and a number of guests related to the amino acids arginine and lysine. Two questions are particularly important: what are the interactions that drive guest-host binding and what is the role of the solvent. The answers to these questions are investigated with isothermal titration calorimetry (lTC), which gives K, ?H, and ?S, and pressure perturbation calorimetry (PPC), which allows the calculation of the thermal coefficient of expansion ? and relating it to a molecule's structure-breaking or structure-making properties. The ITC data suggests that hydrogen bonding and charge-charge interactions are the …
Determination Of Nizatidine-Guest Complexation Constants And Computer Aided Molecular Design, Carolyn J. Mordas
Determination Of Nizatidine-Guest Complexation Constants And Computer Aided Molecular Design, Carolyn J. Mordas
Honors Theses
Nizatidine, N-[2-[[[2-[(dimethylamino)methyl]-4-thiazoly]]methy1]thio]ethyl]-N'- methyl- 2-nitro-I,l, ethenediamine, has been investigated for its potential to act as a host to small molecules through hydrogen bonding and pi-pi interactions. In previous work, pyridoxine (vitamin B6) was hypothesized to have a high guest-host binding constant with nizatidine. This was supported through experimental methods involving one and two dimensional NMR spectroscopy, UV-visible spectroscopy, and high performance liquid chromatography. Computer aided molecular design and three dimensional conformationally flexible database searching led to the discovery of other possible guests, including albuterol, which has exhibited even higher binding constants from HPLC.
Molecular Design And Association Constants Of Nizatidine-Guest Complexes, Elizabeth Corbeil
Molecular Design And Association Constants Of Nizatidine-Guest Complexes, Elizabeth Corbeil
Honors Theses
Nizatidine, N-[2-[[[2-[(dimethylamino)metbyl]-4-thiazolyl]methyl]thio]ethyl]-N'methyl- 2-nitro-l,l-ethenediamine (Axid"), has been investigated for its potential to act as a host in guest-host complexes. Nizatidine binds with the guests through hydrogen bonding and pi-pi interactions. Guest-host studies were conducted using fluorescence quenching, calorimetry, NMR and invisible experiments. The lowest energy conformation of nizatidine is found to be U-shaped through theoretical calculations. Fluorescence experiments indicated that tryptophan and pyridoxine had large association constants. Further studies using calorimetry and NMR techniques concluded that no complexation had occurred. Complexation experiments have been done to find guests that complex with nizatidine. Caffeine, luminol, nicotinamide, phenylalanine, pyridoxine, pyrogallol, and tryptophan were …