22,025 research outputs found

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

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    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 Study of the Pseudomonic and Monic Acids

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    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

    Psychology ethics down under: A survey of student subject pools in Australia

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    A survey of the 37 psychology departments offering courses accredited by the Australian Psychological Society yielded a 92% response rate. Sixty-eight percent of departments employed students as research subjects, with larger departments being more likely to do so. Most of these departments drew their student subject pools from introductory courses. Student research participation was strictly voluntary in 57% of these departments, whereas 43% of the departments have failed to comply with normally accepted ethical standards. It is of great concern that institutional ethics committees apparently continue to condone, or fail to act against, unethical research practices. Although these committees have a duty of care to all subjects, the final responsibility for conducting research in an ethical manner lies with the individual researcher

    The Most Detailed Picture Yet of an Embedded High-mass YSO

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    High-mass star formation is not well understood chiefly because examples are deeply embedded, relatively distant, and crowded with sources of emission. Using VLA and VLBA observations of water and SiO maser emission, we have mapped in detail the structure and proper motion of material 20-500 AU from the closest high-mass YSO, radio source-I in the Orion KL region. We observe streams of material driven in a rotating, wide angle, bipolar wind from the surface of an edge-on accretion disk. The example of source-I provides strong evidence that high-mass star formation proceeds via accretionComment: typo corrected and word added to abstract 6 pages including 4 B&W figures. To appear in the Proceeding of IAU Symposium 221, Star Formation at High Angular Resolution, Editors M. Burton, R. Jayawardhana & T. Bourke, Astronomical Society of the Pacifi
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