Buchanan, Evan Gardner. Ph.D., Purdue University, December 2014. Supersonic Jet Spectroscopy of Synthetic Foldamers, Multichromophores, and Their Water Containing Clusters. Major Professor: Timothy S. Zwier. A central theme specific to this dissertation concerns the conformation-specific spectroscopy of flexible molecules in an effort to bridge the complexity gap. Generally, molecules in the co...

Address correspondence to [email protected] ABSTRACT In contrast to the static operations of conventional semiconductor devices, the dynamic conformational freedom in molecular devices opens up the possibility of using individual molecules as new types of devices such as a molecular conformational switch or for molecular data storage. Bistable molecules such as those having two stable c...

– The conductance of cis/trans isomers of stilbene molecules connected to armchair single wall carbon nanotubes is studied in the Landauer formalism combined with a densityfunctional based approach. For a given arrangement of the electrodes, dramatic differences in the transmission between both isomers are found. For a given isomer, the conductance can be varied by orders of magnitude by changi...

In this work, the conformational space of the pseudosaccharyl ether 3-(allyloxy)-1,2-benzisothiazole 1,1-dioxide (ABID) has been studied by means of infrared spectroscopy and density functional theory (DFT) calculations. Five different low energy conformers (TSk, TC, GSk, GSk' and GC, with relative energies of 0.00, 1.97, 2.00, 3.82 and 6.02 kJ mol(-1), respectively) were found on the DFT(B3LYP...

many organisms produce lactic acid by fermentation, but most industrially important strains are from the genus lactobacillus and rhizopus oryzae. l(+)-lactic acid is the only optical isomer for use in pharmaceutical and food industries because human body is only adapted to assimilate this form. in this research, six strains of lactobacillus and four strains of r. oryzae (known as high producer)...

The results presented here indicate that there are two slowly exchanging conformational isomers in unfolded bovine pancreatic ribonuclease A (RNase A) in the vicinity of Lys-41. The conformational heterogeneity is not observed in the fully folded protein. Therefore, one of the isomers may correspond to one of the slow-folding forms of the protein observed when refolding is initiated. These resu...

5(6)-carboxy-rhodamine 110 isomers were rapidly synthesized by condensation of 3-aminophenol and trimellitic anhydride using microwave irradiation as heating method. after esterification of the two isomers, separation and hydrolyzation provided target products,5-carboxy-rhodamine 110 and 6-carboxy-rhodamine 110, in high yields. the results shows microwave irradiation can effectively reduce the ...

Super-statins are synthetic inhibitors of 3-hydroxy-3-methylglutaryl-coenzyme A reductase, which is the rate-limiting enzyme responsible for the biosynthesis of cholesterol. All of the super-statins with a C=C double bond spacer between the heterocyclic and the dihydroxycarboxylic moiety that are currently on the market exist as E-isomers. To extend the understanding of conformational and therm...

The α-methylated chalcone 3 with an electron-donor substituted A-aryl ring and unsubstituted B-phenyl was synthesized by base-catalyzed aldehyde/acetophenone condensation. Compound can be photo-switched from E→Z irradiation long-wavelength light λ > 350 nm, whereas shorter wavelengths leads to photo-stationary states (PSS) lower amounts of the Z-isomer. limiting wavelength for fully equilibr...