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101.
Gy?rgy Székely Viktor Farkas László Párkányi Tünde Tóth Miklós Hollósi Péter Huszthy 《Structural chemistry》2010,21(1):277-282
This paper describes the structures of pseudo-18-crown-6 compounds (2, R,R-4 and 5) in the crystals together with theoretical calculations of the electronic circular dichroism (ECD) spectra. The achiral macrocyclic
phosphinic acid 5 forms hydrogen-bonded dimers in the crystal. The O1–O2 distance (2.489 Ǻ) indicates strong H-bondings. The conformations
of the macrorings of the achiral phosphinate 2 and the monomers of the achiral phosphinic acid 5 are chiral. A comparison of the torsion angles of the achiral methyl phosphinate 2 and the monomeric units of achiral 5 indicates a similar geometry. The torsion angles of the chiral methyl phosphinate (R,R)-4 differ more significantly from those in achiral methyl phosphinate 2. A negative 1Bb exciton couplet was observed in the ECD spectrum of monomeric (R,R)-6 in MeOH and H2O as in the spectra of (R,R)-4 in all solvents. To support the idea that (R,R)-4 has basically the same conformation in the crystal and in solution, the ECD spectrum of (R,R)-4 was calculated using the geometry of the molecule in the crystal. The calculated ECD spectrum shows a reasonable agreement
with the ECD spectra obtained in solution. This shows that the steric structure observed in the crystal is predominant in
solution as well. 相似文献
102.
V. T. Lebedev D. N. Orlova V. M. Lebedev Gy. Török A. B. Mel’nikov L. V. Vinogradova 《Russian Journal of Applied Chemistry》2010,83(5):864-868
Association of short-chain sulfopolystyrene ionomers containing 5.2 mol % ionic SO3Li groups in carbon tetrachloride was studied by cold neutron scattering. 相似文献
103.
Using atomic scale time-dependent density functional calculations we confirm that both diffusion-controlled and diffusionless crystallization modes exist in simple 2D systems. We provide theoretical evidence that a faceted to nonfaceted transition is coupled to these crystallization modes, and faceting is governed by the local supersaturation at the fluid-crystalline interface. We also show that competing modes of crystallization have a major influence on mesopattern formation. Irregularly branched and porous structures are emerging at the crossover of the crystallization modes. The proposed branching mechanism differs essentially from dendritic fingering driven by diffusive instability. 相似文献
104.
105.
József Balogh János Barát Dániel Gerbner András Gyárfás Gábor N. Sárközy 《Combinatorica》2014,34(5):507-526
We present results on partitioning the vertices of 2-edge-colored graphs into monochromatic paths and cycles. We prove asymptotically the two-color case of a conjecture of Sárközy: the vertex set of every 2-edge-colored graph can be partitioned into at most 2α(G) monochromatic cycles, where α(G) denotes the independence number of G. Another direction, emerged recently from a conjecture of Schelp, is to consider colorings of graphs with given minimum degree. We prove that apart from o(|V (G)|) vertices, the vertex set of any 2-edge-colored graph G with minimum degree at least \(\tfrac{{(1 + \varepsilon )3|V(G)|}} {4}\) can be covered by the vertices of two vertex disjoint monochromatic cycles of distinct colors. Finally, under the assumption that \(\bar G\) does not contain a fixed bipartite graph H, we show that in every 2-edge-coloring of G, |V (G)| ? c(H) vertices can be covered by two vertex disjoint paths of different colors, where c(H) is a constant depending only on H. In particular, we prove that c(C 4)=1, which is best possible. 相似文献
106.
107.
D. Medaković Gy. Batta I. F. Pelyvás F. Sztaricskai 《Journal of carbohydrate chemistry》2013,32(5):631-641
ABSTRACT A new reducing trisaccharide 0-α-D-arabinofuranosyl-(1→ 2)-0-α-D-mannopyranosyl-(1→2)-0-D-glucopyranose (11), named ristriose, has been synthesized in twenty one steps, starting from D-glucose, D-mannose and D-arabinose, with an overall yield of 3.5 %. 相似文献
108.
Attila Makó Zsolt Rapi György Keglevich Áron Szöllősy László Drahos László Hegedűs Péter Bakó 《Tetrahedron: Asymmetry》2010,21(8):919-925
The chiral monoaza-15-crown-5 lariat ethers annellated to methyl-4,6-O-benzylidene-α-d-glucopyranoside-1 or mannopyranoside 2 have been applied as phase-transfer catalysts in the epoxidation of substituted chalcones and chalcone analogues with tert-butylhydroperoxide resulting in significant asymmetric induction. It was found that the position of the substituents in the aromatic ring of the chalcone had an influence both on the chemical yields and enantiomeric excesses. The lowest enantioselectivities (62–83% ee) were found in the case of ortho-substituted model compounds. The highest ee values (ee of 83–97%) were obtained in the case of para-substituted models. From among the chalcone analogues, the maximum ee (90–92%) was detected for the model compound having α-tert-butyl- and β-aryl groups. Using glucose-based crown ether 1, formation of the (?)-enantiomer was preferred, while applying mannose-based 2 as the catalyst, the (+)-enantiomer was in excess. 相似文献
109.
S. Caroli M. Spagnoli G. Forte M. Alessandrelli R. Cresti S. D'Ilio J. Pauwels G. N. Kramer Gy. Zray 《Microchemical Journal》2000,67(1-3)
In the framework of the activities of the Community Reference Laboratory (CRL) for residues at the Istituto Superiore di Sanità (ISS) of Rome, a number of proficiency tests were performed in order to assess and improve, wherever necessary, the quality of regulatory residue analysis within the EU. In this context, a pilot study was undertaken with the purpose of ascertaining the feasibility of a project for the certification of a new reference material for trace elements in bovine muscle. On behalf of the ISS, approximately 70 kg of bovine muscle, collected at a slaughterhouse in Geel (Belgium), were freeze-dried, homogenized, stabilized and bottled under argon atmosphere by the Institute for Reference Materials and Measurements, Joint Research Centre, European Commission (IRMM-JRC-EC). Preliminary analyses were carried out with Quadrupole (Q) and High Resolution (HR) Inductively Coupled Plasma Mass Spectrometry (ICP-MS) to evaluate the content of As, Cd, Cu and Pb, whereas the Flow Injection Mercury System (FIMS) was used to quantify Hg. Digestion of the matrix was achieved by acid-assisted microwave irradiation. The mean values of experimentally obtained data were the following (in nanograms per gram): As, 24.2±1.2; Cd, 5.48±0.29; Cu, 4765±95; Hg, 3.37±0.73; and Pb, 184±7. Subsequently, 16 National Reference Laboratories (NRLs) for residues in the Member States plus the Norwegian one and eight Italian public laboratories were accepted to participate in the project and received one bottle of the freeze-dried bovine muscle. The laboratories were requested to perform three different analytical runs (in three different days), each consisting of three individual measurements. Preliminary results showed good agreement and fair evidence for homogeneity of the entire mass, thus setting the stage for the future certification of this candidate CRM. 相似文献
110.
We have measured the variation of atmospheric pressure and of 222Rn activity concentration in the air of a wine cellar with an AlphaGAURD type ionization chamber radon monitor. We have found
that the 222Rn activity concentration varies inversely with pressure. To explain this behavior we have done model calculations. We have
compared the results of model calculations with the results of experimental measurements, and we have found that the model
is capable to reproduce some part of the variation of 222Rn activity concentration. 相似文献