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D. Bisello G. Busetto A. Castro M. Nigro M. Penzo L. Pescara M. Posocco P. Sartori L. Stanco Z. Ajaltouni A. Falvard J. Jousset B. Michel J. C. Montret A. Antonelli R. Baldini A. Calcaterra G. Capon M. Schioppa J. -E. Augustin G. Cosme F. Couchot B. Dudelzak F. Fulda G. Grosdidier B. Jean-Marie S. Jullian D. Lalanne V. Lepeltier F. Manè C. Paulot R. Riskalla Ph. Roy G. Szklarz DM Collaboration 《Zeitschrift fur Physik C Particles and Fields》1988,39(1):13-19
Thee + e ?→K + K ? cross section has been measured from about 750 events in the energy interval \(1350 \leqq \sqrt s \leqq 2400 MeV\) with the DM2 detector at DCI. TheK ± form factor |F F ±| cannot be explained by the ρ, ω, ? and ρ′(1600). An additional resonant amplitude at 1650 MeV has to be added as suggested by a previous experiment. 相似文献
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J. -E. Augustin G. Cosme F. Couchot B. Dudelzak F. Fulda B. Grelaud G. Grosdidier B. Jean-Marie S. Jullian D. Lalanne V. Lepeltier B. Louis F. Mané C. Paulot R. Riskalla Ph. Roy F. Rumpf G. Szklarz Z. Ajaltouni A. Falvard J. Jousset B. Michel J. C. Montret R. Baldini S. Calcaterra G. Capon D. Bisello G. Busetto S. Limentani M. Nigro L. Pescara M. Posocco P. Sartori L. Stanco DM Collaboration 《Zeitschrift fur Physik C Particles and Fields》1987,36(3):369-376
The radiative decayJ/ψ → γ π+ π? has been studied using the 8.6 millionJ/ψ produced in the DM2 experiment at the DCIe +e? storage rings at Orsay. The π+ π? mass spectrum shows a cleanf 2 (1270) signal, and the possible presence of two other states at thef 2 (1720) andf 4 (2030) masses. For thef 2 (1270), the branching ratio BR(J/ψ →γf)xBR(f→π+ π?) is measured to be (7.50±0.30±1.12)×10?4, and the spin analysis prefers theJ=2 assignment, with helicity parametersx=0.83±0.06 andy=0.01±0.06. The existence of higher mass states is discussed. 相似文献
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The steady propagation of a thin smouldering front in a half-spacehas been considered. A suitable coordinate transformation hasallowed the region near the leading edge of the front to beexamined for both a maintained planar surface and with surfacecollapse due to material shrinkage. The change in the oxidizerconcentration for a small increment in the propagation speedfor large time and surface collapse has been determined. Theinfluence of two types of nonlinear diffusion on the shape ofthe smouldering front has been found; other cases can be dealtwith in a similar manner. 相似文献
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Platonov MO Samijlenko SP Sudakov OO Kondratyuk IV Hovorun DM 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2005,62(1-3):112-114
Taking xanthine (Xan) as an example, validity of an approach to experimental investigations of nucleotide bases' tautomeric equilibrium, based on the use of methyl derivatives corresponding to their prototropic tautomers, was studied by (1)H NMR in dimethylsulfoxide (DMSO) and by quantum chemical calculations at the B3LYP/6-311++G(d,p) level of theory. From (1)H NMR spectra of m(7)Xan, m(9)Xan, Xan and m(3)Xan conclusion was made that the N7H tautomeric forms of the last two compounds dominate in solution, which was supported by quantum chemical data. Calculated relative energies of the N9H tautomers of Xan and m(3)Xan (8.74 and 9.57 kcal/mol, accordingly) are rather close to the m(9)Xan one (9.11 kcal/mol). Nonspecific influence of DMSO modelled by the COSMO algorithm therewith reduces these values by approximately 2-3 kcal/mol. The data obtained imply that methyl derivatives are rather good models of high-energy tautomers of nucleotide bases, if their relative energies are not less than a few kcal/mol. 相似文献
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In this work it is experimentally investigated a size effect in temperature coefficient of resistance (TCR) of Ni films with Cu and SiO2 thin overlayer. The parameters of electrical transfer (the mean‐free path of electron, the reflectivity coefficient of the external surfaces, the reflection and transmission coefficients at the grain boundary) were calculations. Decreasing of the value of the reflectivity coefficient is due to the change of the surface microrelief. It is show that the value of TCR decreases caused by the conditions of scattering changes on internal and external boundaries. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
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Yurenko YP Zhurakivsky RO Ghomi M Samijlenko SP Hovorun DM 《The journal of physical chemistry. B》2008,112(4):1240-1250
A comprehensive conformational analysis of isolated 2'-deoxyuridine (dU), a minor DNA nucleoside, has been performed by means of ab initio calculations at the MP2/6-311++G (d,p)//DFT B3LYP/6-31G (d,p) level of theory. At 298.15 and 420 K, all 94 allowed conformers of dU are within 8.96 and 7.91 kcal/mol Gibbs energy ranges, respectively. Syn orientation for the base and South (S) conformers for the sugar dominate at 298.15 K: syn/anti=62.3%:37.7% and S/N=77.2%:22.8%. At 420 K in the majority of conformers, the base is anti oriented and the population of North (N) sugars increases: syn/anti=39.3%:60.7% and S/N=63.0%:37.0%. Values of all conformational parameters and correlations between them, as well as their correlations with valence bonds, and also correlations between valence bonds and angles were estimated. In general, 14 types of intramolecular H-bonds were detected (1-3 H-bonds per conformer, the total number 175), namely, C1'H...O2 (16 H-bonds), C2'H1...O5' (9), C2'H2...O2 (21), C3'H...O2 (21), C5'H1...O2 (14), C5'H2...O2 (11), C6H...O4' (37), C6H...O5' (22), C3'H...HC6 (4), O5'H...HC6 (2), O3'H...O5' (5), O5'H...O4' (1), O5'H...O3' (4), and O5'H...O2 (8). Geometric, vibrational, structural-topological, and energetic features of the OH...O intramolecular H-bonds in dU conformers were determined. The close similarity between energetic and geometric characteristics of dU and thymidine DNA-like conformers in anti and relevant syn conformations and their transition states of the anti-->syn interconversion implies that mismatch DNA glycosylase discriminates between the two nucleosides, mainly because of the difference in the shapes of their bases. Convolution of calculated IR spectra of all the dU conformers within the limits 3400-3700 cm(-1) appears to be consistent with its low-temperature matrix IR spectrum (Ivanov et al. Spectrochim. Acta, Part A 2003, 59, 1959), wavenumber discrepancy not exceeding 1%. It was concluded that, for a reliable reproduction of the experimental spectrum, the whole set of conformers should be taken into consideration. The suggested method makes reconstruction of the isolated nucleoside IR spectrum at a physiological interval of temperature reasonably possible. 相似文献
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Here for the first time we present four novel routes of the tautomerisation via the sequential DPT that links biologically important A·C*(WC) DNA base mispair with Watson–Crick (WC) geometry and wobble (w) A*·C*(w), A·C*O2(w), A*·C*(w 1) and A·C(w ⊥) mismatches, pursuing the goal of estimation of their contribution into the transition mutations during DNA biosynthesis. These processes occur without opening of the pairs and are accompanied by the substantial changes in their geometry. A detailed analysis of these pathways leads to an identification of the A·C*(WC)?A*·C*(w) tautomerisation route as the most suitable among these processes from the point of view of the spontaneous point mutagenesis, since it proceeds via the time that is significantly less than the time used by the replicative DNA-polymerase for the incorporation of one incoming nucleotide into the synthesised DNA double helix. This non-dissociative transition occurs through the planar, highly stable, zwitterionic \( {\text{TS}}_{{{\text{A}} \cdot {\text{C*(WC)}} \leftrightarrow {\text{A}}^{ + } \cdot {\text{C}}^{\text{ - }} (w )}}^{{{\text{A}}^{ + } \cdot {\text{C}}^{\text{ - }} }} \) transition state and dynamically unstable intermediate A+·C?(w) ion pair and is accompanied by the consistent rearrangement of the 10 unique patterns of the specific intermolecular interactions, among which there are from 2 to 4 AH···B H-bonds and 2 loosened A–H–B covalent bridges. Basic physico-chemical properties of this mutual tautomeric transformation, which is internally inherent to the A·C*(WC) and A*·C*(w) base mispairs, are documented, and its possible biological assignment is discussed here. 相似文献
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Nikolaienko TY Bulavin LA Hovorun DM 《Physical chemistry chemical physics : PCCP》2012,14(20):7441-7447
Physical properties of over 8000 intramolecular hydrogen bonds (iHBs), including 2901 ones of the types OH···O, OH···N, NH···O and OH···C, in 4244 conformers of the DNA-related molecules (four canonical 2'-deoxyribonucleotides, 1,2-dideoxyribose-5-phosphate, and 2-deoxy-D-ribose in its furanose, pyranose and linear forms) have been investigated using quantum theory of atoms in molecules (QTAIM) and vibrational analysis. It has been found that for all iHBs with positive red-shift of the proton donating group stretching frequency the shift value correlates with ρ(cp)-the electron charge density at the (3,-1)-type bond critical point. Combining QTAIM and spectroscopic data new relationships for estimation of OH···O, OH···N, NH···O and OH···C iHB enthalpy of formation (kcal mol(-1)) with RMS error below 0.8 kcal mol(-1) have been established: E(OH···O) = -3.09 + 239·ρ(cp), E(OH···N) = 1.72 + 142·ρ(cp), E(NH···O) = -2.03 + 225·ρ(cp), E(OH···C) = -0.29 + 288·ρ(cp), where ρ(cp) is in e a(0)(-3) (a(0)- the Bohr radius). It has been shown that XHY iHBs with red-shift values over 40 cm(-1) are characterized by the following minimal values of the XHY angle, ρ(cp) and nubla(2)ρ(cp): 112°, 0.005 e a(0)(-3) and 0.016 e a(0)(-5), respectively. New relationships have been used to reveal the strongest iHBs in canonical 2'-deoxy- and ribonucleosides and the O(5')H···N(3) H-bond in ribonucleoside guanosine was found to have the maximum energy (8.1 kcal mol(-1)). 相似文献
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