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 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)

X-ray film holder permits single continuous picture of tubing joint

X ray technique produces a clear continuous picture of a welded brazed tubing joint on a single film with one exposure. A stationary X ray source located in the plane of the joint to be inspected, a means of rotating the tube, and a unique internal film holder and positioning fixture are used

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

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

Will Unionism Prosper in Cyber-Space? The Promise of the Internet for Employee Organization

This paper argues that the low cost of information, communication, and interaction on the Web offers trade unions opportunities to improve services and attract members and thus reinvent themselves for the 21st Century. Analyzing current use of the Internet by unions in the United Kingdom and United States, we develop five hypothesis about the impact of the Internet on unions. 1) the Customized Services hypothesis that unions will individualize services; 2) the Cyber-organizing hypothesis that the Web will ease organization and produce virtual minority unions at many non-union firms; 3) the Cyber-democracy hypothesis that the Web will enhance democracy in unions; 4) the Cyber-dispute hypothesis that the Web will become an important space for industrial disputes; and 5) the New Internationalism hypothesis that the Web will strengthen the international labor community. If unions fail to exploit the opportunities on the Web to gain members, we expect other organizations, Internet recruitment sites, specialized advice centers, and the like, to fill the e-union niche.