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111.
112.
Supramolecular Wiring of Benzo‐1,3‐chalcogenazoles through Programmed Chalcogen Bonding Interactions
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Dr. Adrian Kremer Dr. Andrea Fermi Nicolas Biot Prof. Johan Wouters Prof. Dr. Davide Bonifazi 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(16):5665-5675
The high‐yielding synthesis of 2‐substituted benzo‐1,3‐tellurazoles and benzo‐1,3‐selenazoles through a dehydrative cyclization reaction has been reported, giving access to a large variety of benzo‐1,3‐chalcogenazoles. Exceptionally, these aromatic heterocycles proved to be very stable and thus very handy to form controlled solid‐state organizations in which wire‐like polymeric structures are formed through secondary N???Y bonding interactions (SBIs) engaging the chalcogen (Y=Se or Te) and nitrogen atoms. In particular, it has been shown that the recognition properties of the chalcogen centre at the solid state could be programmed by selectively barring one of its σ‐holes through a combination of electronic and steric effects exerted by the substituent at the 2‐position. As predicted by the electrostatic potential surfaces calculated by quantum chemical modelling, the pyridyl groups revealed to be the stronger chalcogen bonding acceptors, and thus the best ligand candidate for programming the molecular organization at the solid state. In contrast, the thiophenyl group is an unsuitable substituent for establishing SBIs in this molecular system as it gives rise to chalcogen–chalcogen repulsion. The weaker chalcogen donor properties of the Se analogues trigger the formation of feeble N???Se contacts, which are manifested in similar solid‐state polymers featuring longer nitrogen–chalcogen distances. 相似文献
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We present the results of a numerical investigation of percolation properties in a version of the classical Heisenberg model. In particular we study the percolation properties of the subsets of the lattice corresponding to equatorial strips of the target manifold
2. As shown by us several years ago, this is relevant for the existence of a massless phase of the model. Our investigation yields strong evidence that such a massless phase does indeed exits. It is further shown that this result implies lack of asymptotic freedom in the massive continuum limit. A heuristic estimate of the transition temperature is given which is consistent with the numerical data. 相似文献
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We consider the single-inclusive minijet cross section in pA at forward rapidity within the color glass condensate model of high energy collisions. We show that the nucleus appears black to the incident quarks except for very large impact parameters. A markedly flatter p(t) distribution as compared to QCD in the dilute perturbative limit is predicted for transverse momenta about the saturation scale, which could be as large as Q(2)(s) approximately 10 GeV2 for a gold nucleus boosted to rapidity approximately 10 (as at the BNL-RHIC). 相似文献
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Adrian J. Williams 《The Journal of the Operational Research Society》1979,30(11):941-952
Danish shipyard building supertankers was faced with a production-planning problem in one of its welding-halls, where the bow and stern sections were fabricated. The mandatory constraint of completing each section by a specified day in the production cycle was complicated by a number of other practical constraints. A trial exercise demonstrated that human skills were unbeatable in solving aspects of planning concerned with fitting shapes into spaces-and that the major planning problems were keeping track of planning-progress and computing the labour load. An interactive planning computer-system was devised which gave full rein to the complementary skills of planner and computer. This system had the merit, from management's point of view, that the fullest use could be made of existing planning expertise. The system was designed and implemented in stages over about four months: training sessions at each stage provided valuable input for the design of the next stage. 相似文献
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Mukherjee B Preece M Houston GC Papadakis NG Carpenter TA Hall LD Huang CL 《Magnetic resonance imaging》2005,23(9):907-920
Cerebral vascular reactivity in different regions of the rat brain was quantitatively characterized by spatial and temporal measurements of blood oxygenation level-dependent (BOLD)-fMRI signals following intravenous administration of the carbonic anhydrase inhibitor acetazolamide: this causes cerebral vasodilatation through a cerebral extracellular acidosis that spares neuronal metabolism and vascular smooth muscle function, thus separating vascular and cerebral metabolic events. An asymmetric spin echo-echo planar imaging (ASE-EPI) pulse sequence sensitised images selectively to oxygenation changes in the microvasculature; use of a surface coil receiver enhanced image signal-to-noise ratios (SNRs). Image SNRs and hardware integrity were verified by incorporating quality assurance procedures; cardiorespiratory stability in the physiological preparations were monitored and maintained through the duration of the experiments. These conditions made it possible to apply BOLD contrast fMRI to map regional changes in cerebral perfusion in response to acetazolamide administration. Thus, fMRI findings demonstrated cerebral responses to acetazolamide that directly paralleled the known physiological actions of acetazolamide and whose time courses were similar through all regions of interest, consistent with acetazolamide's initial distribution in brain plasma, where it affects cerebral haemodynamics by acting at cerebral capillary endothelial cells. However, marked variations in the magnitude of the responses suggested relative perfusion deficits in the hippocampus and white matter regions correlating well with their relatively low vascularity and the known vulnerability of the hippocampus to ischaemic damage. 相似文献