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11.
Violetta Patroniak Wanda Radecka‐Paryzek Maciej Kubicki 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(9):o511-o513
The structure of a trifluoromethanesulfonate salt of a nontypical triply protonated linear tetramine, C7H23N43+·3CF3SO3−, with a layered crystal structure is presented. One N atom remains unprotonated. The conformation of the cation is enforced by intra‐ and intermolecular hydrogen bonds. The crystal structure is built of ca 10 Å deep layers, within which cations and anions are hydrogen bonded. Each layer is only weakly bound to its neighbours. This study shows a rare example of an unsymmetrically protonated polyamine and the relation between the lack of protonation, intramolecular hydrogen bonding and the conformation of the cation. 相似文献
12.
Milan Merkle 《Journal of Mathematical Analysis and Applications》2004,293(1):210-218
We say that f is reciprocally convex if x?f(x) is concave and x?f(1/x) is convex on (0,+∞). Reciprocally convex functions generate a sequence of quasi-arithmetic means, with the first one between harmonic and arithmetic mean and others above the arithmetic mean. We present several examples related to the gamma function and we show that if f is a Stieltjes transform, then −f is reciprocally convex. An application in probability is also presented. 相似文献
13.
Vikram S. Deshpande Milan Mrksich Anthony G. Evans 《Journal of the mechanics and physics of solids》2008,56(4):1484-1510
Focal adhesions (FAs) are large, multi-protein complexes that provide a mechanical link between the cytoskeletal contractile machinery and the extracellular matrix. They exhibit mechanosensitive properties; they self-assemble upon application of pulling forces and dissociate when these forces are decreased. We rationalize this mechano-sensitivity from thermodynamic considerations and develop a continuum framework in which the cytoskeletal contractile forces generated by stress fibers drive the assembly of the FA multi-protein complexes. The FA model has three essential features: (i) the low and high affinity integrins co-exist in thermodynamic equilibrium, (ii) the low affinity integrins within the plasma membrane are mobile, and (iii) the contractile forces generated by the stress fibers are in mechanical equilibrium and change the free energies of the integrins. A general two-dimensional framework is presented and the essential features of the model illustrated using one-dimensional examples. Consistent with observations, the coupled stress fiber and FA model predict that (a) the FAs concentrate around the periphery of the cell; (b) the fraction of the cell covered by FAs increases with decreasing cell size while the total FA intensity increases with increasing cell size; and (c) the FA intensity decreases substantially when cell contractility is curtailed. 相似文献
14.
15.
L. Gomes de Lima M. Cariou H. Scordia R. Kergoat M. M. Kubicki J. E. Guerchais 《Journal of organometallic chemistry》1985,290(3):321-327
A new class of cyclic telluronium salts has been prepared. All the salts are stable in solution in CHCl3 or dimethylsulphoxide (DMSO). Conductivity measurements in DMSO and dimethylformamide (DMF) have shown that considerable ion pairing occurs in solution. Infrared, 1H, 13C, 125Te NMR, and mass spectra are reported and discussed. 相似文献
16.
17.
Boca R Gembický M Herchel R Haase W Jäger L Wagner C Ehrenberg H Fuess H 《Inorganic chemistry》2003,42(22):6965-6967
Triethylenetetramine (L(4)) was used as a tetradentate blocking ligand that, after complexation with Ni(II), leaves two sites ready for ligation with tricyanomethanide. The formed binuclear complex [L(4)Ni(NCC(CN)CN)(2)NiL(4)](ClO(4))(2) exhibits a ferromagnetic coupling with J/hc = +0.15 cm(-1) and g(Ni) = 2.126; below 16 K, a ferromagnetic ordering is evidenced by ac magnetic susceptibility (both in-phase and out-of-phase), magnetization, field-cooled magnetization, and zero-field-cooled magnetization measurements. 相似文献
18.
This report describes a new type of intra-intermolecular criss-cross cycloadditions. Thermal reactions of unsymmetrical allenylazines in the presence of alkynes led to three fused five-membered heterocycles in some cases. In the case of unsymmetrical substituted alkynes, a regioselectivity was observed. The molecular structures of all products are discussed. One X-ray crystal structure is also reported. 相似文献
19.
Borstnik U Hodoscek M Janezic D 《Journal of chemical information and computer sciences》2004,44(2):359-364
In this article a procedure is derived to obtain a performance gain for molecular dynamics (MD) simulations on existing parallel clusters. Parallel clusters use a wide array of interconnection technologies to connect multiple processors together, often at different speeds, such as multiple processor computers and networking. It is demonstrated how to configure existing programs for MD simulations to efficiently handle collective communication on parallel clusters with processor interconnections of different speeds. 相似文献
20.
Charles L. Wilkins Milan Randić Sheldon M. Schuster Rodney S. Markin Steven Steiner Lonnie Dorgan 《Analytica chimica acta》1981,133(4):637-645
Characterization of molecular species based on the use of suitable graph invariants (graph paths, in particular) can provide a quantitative means of encoding structure; the technique is complementary to commoner approaches to studies of quantitative structure— activity relationships. Graph path encoding is here applied to quantitative studies of relationships between molecular structures and biological activity; the examples are the rates of various substrate reactions with hexoldnase, and the potential opiate-like activity of enkephalin analogs. 相似文献