Theoretical Investigation of Internal Rotation Barriers of 4-(Dimethylaminocinnamaldehyde)

Theoretical study on 4-dimethylaminocinnamaldehyde was done analyzing the barriers of rotation and interpretation of its Raman spectrum. B3LYP Density functional with basis sets up to 6-31G ** with additional f and d functions on C, N, O, and H respectively, calculations were performed. Results indicate trans conformation of the molecule had the lowest energy. Vibrational modes of interest were noted around 500, 1192, 1263, 1316, 1547, and 1608 cm-1. Observed strong enhancement at noted frequencies can be further studied in determining the molecule with other subatomic particles (Ag colloids)

Theoretical Studies of Several Small-Ring Precursors to (+)-JQ1

We present the results of DFT(B3LYP) calculations on several precursors to (+)-JQ1 using an accurate basis set, including a report of conformational analysis, thermochemistry, optimized geometries and electrostatic potentials, and calculated IR and Raman spectra. Species include (I)1H-1,4-diazepin-2(3H)-imine, (II) 9H-[1,2,4]triazolo[4,3-a][1,4]diazepine, (III) 6H-thieno[3,2-f][1,2,4]triazolo[4,3a][1,4]diazepine, and (IV) 4-(4-chlorophenyl)-6H-thieno[3,2f][1,2,4]triazolo[4,3-a][1,4]diazepine. Studies are also reported on monobrominated (II)-(IV) substituted at the chiral center of the seven member ring, including a comparison of the energetics of equatorial versus axial bromination of the parent precursor. Implications with regard to the larger structure of (+)-JQ1 are discussed

Theoretical Study of the Pseudomonic and Monic Acids

The drug Mupirocin has shown positive effects against both Gram-negative and Gram-positive bacteria with varying levels of success. It has been shown to be effective against Methicillin-Resistant Staphylococcus Aureas (MRSA) as a topical treatment in high concentrations. Mupirocin is comprised of pseudomonic acids. The monic acids are structurally similar to the pseudomonic acids and thus function as a good model to better understand the chemical characteristics of the drug. This work presents results of DFT (B3LYP) calculations with an accurate basis set on monic acid A and related species with focus on internal rotation barriers, optimal geometries, IR and Raman spectra, and electrostatic potentials to identify the differences between the monic and pseudomonic acids with an eye towards potential antibacterial treatments

Development of a Scale to Measure Nutritional Literacy

Note: The Nutritional Literacy Scale can be found here: http://jdc.jefferson.edu/nls/1

Student Research Program in Family Medicine

No abstract available

Interstellar Scattering Towards the Galactic Center as Probed by OH/IR Stars

Angular broadening measurements are reported of 20 OH/IR stars near the galactic center. This class of sources is known to have bright, intrinsically compact (less than or equal to 20 mas) maser components within their circumstellar shells. VLBA antennas and the VLA were used to perform a MKII spectral line VLBI experiment. The rapid drop in correlated flux with increasing baseline, especially for sources closest to the galactic center, is attributed to interstellar scattering. Angular diameters were measured for 13 of our sources. Lower limits were obtained for the remaining seven. With the data, together with additional data taken from the literature, the distribution was determined of interstellar scattering toward the galactic center. A region was found of pronounced scattering nearly centered on SgrA*. Two interpretations are considered for the enhanced scattering. One hypothesis is that the scattering is due to a clump of enhanced turbulence, such as those that lie along lines of sight to other known objects, that has no physical relationship to the galactic center. The other model considers the location of the enhanced scattering to arise in the galactic center itself. The physical implications of the models yield information on the nature of interstellar scattering

How Well Do Medical Students Understand the Consequences of the Debt They Are Accumulating?

No abstract available

Delaware Physicians\u27 Behavior Regarding Patient Advice on Tobacco Use

No abstract available

Cosmic Strings from Supersymmetric Flat Directions

Flat directions are a generic feature of the scalar potential in supersymmetric gauge field theories. They can arise, for example, from D-terms associated with an extra abelian gauge symmetry. Even when supersymmetry is broken softly, there often remain directions in the scalar field space along which the potential is almost flat. Upon breaking a gauge symmetry along one of these almost flat directions, cosmic strings may form. Relative to the standard cosmic string picture based on the abelian Higgs model, these flat-direction cosmic strings have the extreme Type-I properties of a thin gauge core surrounded by a much wider scalar field profile. We perform a comprehensive study of the microscopic, macroscopic, and observational characteristics of this class of strings. We find many differences from the standard string scenario, including stable higher winding mode strings, the dynamical formation of higher mode strings from lower ones, and a resultant multi-tension scaling string network in the early universe. These strings are only moderately constrained by current observations, and their gravitational wave signatures may be detectable at future gravity wave detectors. Furthermore, there is the interesting but speculative prospect that the decays of cosmic string loops in the early universe could be a source of ultra-high energy cosmic rays or non-thermal dark matter. We also compare the observational signatures of flat-direction cosmic strings with those of ordinary cosmic strings as well as (p,q) cosmic strings motivated by superstring theory.Comment: 58 pages, 16 figures, v2. accepted to PRD, added comments about baryogenesis and boosted decay products from cusp annihilatio