XLVIII. On shooting stars

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Research Reference Document 84/17 : The Effects of an Increased Organic Load on Tidal Sediments with Special Attention to Glycera Dibranchiata

https://digitalmaine.com/dmr_research_reference_documents/1009/thumbnail.jp

Observation of dipole-dipole interaction in a degenerate quantum gas

We have investigated the expansion of a Bose-Einstein condensate (BEC) of strongly magnetic chromium atoms. The long-range and anisotropic magnetic dipole-dipole interaction leads to an anisotropic deformation of the expanding Cr-BEC which depends on the orientation of the atomic dipole moments. Our measurements are consistent with the theory of dipolar quantum gases and show that a Cr-BEC is an excellent model system to study dipolar interactions in such gases.Comment: 4 pages, 2 figure

In-Depth Assessment of the Palladium-Catalyzed Fluorination of Five-Membered Heteroaryl Bromides

A thorough investigation of the challenging Pd-catalyzed fluorination of five-membered heteroaryl bromides is presented. Crystallographic studies and density functional theory (DFT) calculations suggest that the challenging step of this transformation is C–F reductive elimination of five-membered heteroaryl fluorides from Pd(II) complexes. On the basis of these studies, we have found that various heteroaryl bromides bearing phenyl groups in the ortho position can be effectively fluorinated under catalytic conditions. Highly activated 2-bromoazoles, such as 8-bromocaffeine, are also viable substrates for this reaction.National Institutes of Health (U.S.) (GM46059)National Science Foundation (U.S.) (Predoctoral Fellowship 2010094243)Amgen Inc

N,N′-(2,2′-Dithiodi-o-phenyl­ene)bis­(furan-2-carboxamide)

The reaction of 2,2′-dithio­bis(benzenamine) with furan-2-carbonyl chloride produced the bis-amide title compound, C22H16N2O4S2, which, in the crystal, formed a helix; the structure consists of two planar furanoylbenzenamines related by an improper rotation of 96.3° about the S—S bond. The N-furanoylbenzenamine units are planar (maximum deviations = 0.316 and 0.132 Å). Each electron-deficient acyl­furan stacks (centroid–centroid separations of the two pairs of π–π stacked aromatic rings are 3.918 and 3.953 Å) with the electron-rich benzenamine of the other N-furan­oyl­benzenamine unit, leading to a spiral structure. The conformation is stabilized by two bifurcated intramolecular N—H⋯(O,S) interactions

Computer-Aided Lead Optimization: Improved Small-Molecule Inhibitor of the Zinc Endopeptidase of Botulinum Neurotoxin Serotype A

Optimization of a serotype-selective, small-molecule inhibitor of botulinum neurotoxin serotype A (BoNTA) endopeptidase is a formidable challenge because the enzyme-substrate interface is unusually large and the endopeptidase itself is a large, zinc-binding protein with a complex fold that is difficult to simulate computationally. We conducted multiple molecular dynamics simulations of the endopeptidase in complex with a previously described inhibitor (Kiapp of 7±2.4 µM) using the cationic dummy atom approach. Based on our computational results, we hypothesized that introducing a hydroxyl group to the inhibitor could improve its potency. Synthesis and testing of the hydroxyl-containing analog as a BoNTA endopeptidase inhibitor showed a twofold improvement in inhibitory potency (Kiapp of 3.8±0.8 µM) with a relatively small increase in molecular weight (16 Da). The results offer an improved template for further optimization of BoNTA endopeptidase inhibitors and demonstrate the effectiveness of the cationic dummy atom approach in the design and optimization of zinc protease inhibitors

Thermal effects in high density polyethylene and low density polyethylene at high hydrostatic pressures

The temperature changes as a result of rapid hydrostatic pressure applications are reported for high density polyethylene (HDPE) and low density polyethylene (LDPE) in the reference temperature range from 298 to 423 K and in the pressure range from 13.8 to 200 MN m −2 . The adiabatic temperature changes were found to be a function of pressure and temperature. A curve fitting analysis showed that the empirical curve (∂/∂ P ) = ab (Δ P ) b−1 described the experimental thermoelastic coefficients obtained from the experiments. The data were analyzed by determining the predicted thermoelastic coefficients derived from the Thomson equation (∂/∂ P ) θ = α T 0 /ϱ C p . The experimental and predicted Grüneisen parameter γ T were also determined.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/44687/1/10853_2005_Article_BF01132919.pd

Local stress measurement using the thermoelastic effect

A technique for measuring local stresses in metallic specimens is proposed and tested. The technique depends on the experimental measurement of temperature changes in stressed members due to adiabatic elastic deformation. At a free boundary in a body under plane stress, these temperature changes are directly related to the value of the tangential principal stress. The technique is suited for measurement of stress-concentration effects, since the temperature changes can be measured with thermocouples featuring extremely small junctions.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/43937/1/11340_2006_Article_BF02326342.pd