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1.
Teobald Kupka Małgorzata A. Broda Piotr P. Wieczorek 《Magnetic resonance in chemistry : MRC》2020,58(6):584-593
The biologically active alkaloid muscimol is present in fly agaric mushroom (Amanita muscaria), and its structure and action is related to human neurotransmitter γ-aminobutyric acid (GABA). The current study reports on determination of muscimol form present in water solution using multinuclear 1H and 13C nuclear magnetic resonance (NMR) experiments supported by density functional theory molecular modeling. The structures of three forms of free muscimol molecule both in the gas phase and in the presence of water solvent, modeled by polarized continuous model, and nuclear magnetic isotropic shieldings, the corresponding chemical shifts, and indirect spin–spin coupling constants were calculated. Several J-couplings observed in proton and carbon NMR spectra, not available before, are reported. The obtained experimental spectra, supported by theoretical calculations, favor the zwitterion form of muscimol in water. This structure differs from NH isomer, previously determined in dimethyl sulfoxide (DMSO) solution. In addition, positions of signals C3 and C5 are reversed in both solvents. 相似文献
2.
3.
R. Broda P. J. Daly J. McNeill R. V. F. Janssens D. C. Radford 《Zeitschrift für Physik A Hadrons and Nuclei》1987,327(4):403-408
The level structure of theN=81 nucleus149Er has been studied by γ-ray spectroscopy following the reaction92Mo+255 MeV60Ni. Yrast levels in149Er are established up to ~3.3 MeV, including 0.61 and 4.8 μs isomeric states. Most of the observed levels are interpreted as seniority-three states arising from the coupling of s1/2, d3/2 and h11/2 neutron holes with πh 11 2/n . Isomers identified in the reaction96Ru+255 MeV58Ni are tentatively assigned to151Yb. TheB (E2) values of high-spin isomers inZ=66?70,N=81?83 nuclei are surveyed. 相似文献
4.
Magorzata A. Broda Maria Rospenk Dawid Siodak Barbara Rzeszotarska 《Journal of Molecular Structure》2005,740(1-3):17-24
The comparative studies on the association of Ac-ΔAla-NMe2 and Ac-l-Ala-NMe2 in carbon tetrachloride were performed by the analysis of their average molecular weight, dipole moments and FTIR spectra. To aid spectroscopic interpretation and gain some deeper insight into the nature of associates, the geometries of the minimum energy of the dimers of Ac-ΔAla-NMe2 and Ac-l-Ala-NMe2 were calculated by the B3LYP/6-31+G** method. The average molecular weight in the studied concentration range, for the ΔAla and l-Ala peptide, as determined by the osmometric method, did not exceed 1.5 and 1.2 of the monomeric mass, respectively. Accordingly, the percentage of the monomeric form (α) decreased as concentration was increased more significantly for the ΔAla analogue than for its saturated counterpart. In the studied concentrations, the dipole moment of the unsaturated compound decreases and that of its counterpart is almost constant. We identified a wider range of dimeric forms of Ac-ΔAla-NMe2 than those of Ac-l-Ala-NMe2. While Ac-ΔAla-NMe2 mainly forms cyclic dimers, built of open conformers H/F, specific for α,β-dehydroamino acids, Ac-l-Ala-NMe2 forms cyclic and linear dimers, characteristic for the usual amino acids. Ac-ΔAla-NMe2 has a greater tendency to associate than its saturated variant, which is the result of stronger hydrogen bonds. 相似文献
5.
Zusammenfassung Die Aufnahme von Bromid-Ion durch Chlorella pyrenoidosa, die durch aktiven Transport erfolgt, wird durch Glucose gehemmt, obwohl die Atmung stimuliert wird. Die Hemmung tritt bei Energielieferung durch Belüftung oder Belichtung ein. Galactose und Mannit wirken nicht wie Glucose. Offenbar hemmt die Glucose die Nutzbarmachung des Elektronenflusses bei dem System der Atmung oder Photophosphorylierung für die Bromid-Aufnahme.
Mit 3 Abbildungen.
Herrn Prof. Dr.F. Wessely zum 70. Geburtstag in Verehrung gewidmet. 相似文献
The absorption of bromide ion by chlorella pyrenoidosa, which is due to active transport, is inhibited by glucose though respiration is stimulated. Inhibition is observed when energy is supplied either by aeration or by illumination. Galactose or mannitol do not act like glucose. Apparently glucose interferes with the utilization of electron flow in the respiration or photophosphorylation systems for the absorption of bromide.
Mit 3 Abbildungen.
Herrn Prof. Dr.F. Wessely zum 70. Geburtstag in Verehrung gewidmet. 相似文献
6.
Rudzevich Y Vysotsky MO Bohmer V Brody MS Rebek Jr J Broda F Thondorf I 《Organic & biomolecular chemistry》2004,2(21):3080-3084
The dimerization of tetratolyl- and tetratosyl-urea derivatives 1 and 2, derived from a tetrapentoxy calix[4]arene in the cone conformation and of the corresponding tetra-urea derivatives 3 and 4, in which the cone conformation is rigidified by the two crown-3 tethers, have been studied. All six possible equimolar mixtures were examined by 1H NMR using CDCl3 and CD2Cl2 as solvents. While no heterodimers are found for the combinations 1/3 and 2/4 in either solvent, all remaining combinations lead to the (exclusive) formation of heterodimers in CD2Cl2. In CDCl3 heterodimers are only observed for the combinations of 3 with 2 or 4. These results are discussed in terms of entropic and enthalpic contributions and compared with MD-simulations in a box of chloroform solvent molecules. 相似文献
7.
C. T. Zhang M. Sferrazza R. H. Mayer Z. W. Grabowski P. Bhattacharyya P. J. Daly R. Broda B. Fornal W. Królas T. Pawłat G. de Angelis D. Bazzacco S. Lunardi C. Rossi-Alvarez 《Zeitschrift für Physik A Hadrons and Nuclei》1995,351(1):11-12
Using an 11.4MeV/u136Xe beam of the UNILAC accelerator of GSI and anatW target, A=184 isobars were produced and separated by using an on-line mass separator. A new isomeric state was found in184Hf. This state decays with a half-life of 48(10) s and emits three -rays of 73, 482, and 555 keV as well as lower-lying cascade transitions. The hindrance of the 73 keV-E1 transition with K=8 is compared with those of other even-even hafnium isotopes. The half-life of184Lu was estimated to be between 15 and 25s. 相似文献
8.
The anisotropic homogeneous 3 is isometrically globally embedded into a nine-dimensional Euclidean or pseudo-Euclidean space. In a special case the Euclidean space is six-dimensional. The space-sections of the anti-Mach metric appear as a submanifold of theE
9. We obtain also the isometric embedding ofSO(3) with its natural Killing metric. 相似文献
9.
10.
Kurt Hiebl Engelbert Tuscher Helmut Bittner 《Monatshefte für Chemie / Chemical Monthly》1979,110(4):869-877
The hydrogen absorption of the phase Ti64Co32–x
Fe
x
(x=0...16) and its influence on the magnetic properties have been investigated. Measurements of the vapour-pressure, wide-line NMR and magnetic susceptibility have been performed. Substitution of Co by Fe does not change the amount of absorbed hydrogen. However the reaction rate of hydriding process, the activation energy of diffusion and the magnetic quantities change upon this substitution. 相似文献