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81.
82.
Impact of the internucleotide linkage modification by inserting a methylene group to the P-O bond (—O—PO
2
—
—O— chain changed for —O—PO
2
—
—CH2—O—), on the modified oligonucleotide binding ability to the natural DNA strand was studied by molecular dynamics simulation. Complex of (dT)11 with a deoxyadenosine undecamer containing alternating modified and natural internucleotide linkage was studied as a model system. The Amber force field was completed by a set of new parameters needed to model the modified part of the nucleotide. The simulations confirmed existence of a double-helical complex the melting point of which is considerably higher than 300 K. While the thymidine (unmodified) strand possesses a B-type secondary structure, the conformation of the adenosine (modified) strand is not stable at 300 K. The -ggt conformation of the modified linkages is highly preferred, temporary jumps to the -g-gt and ggt conformations were, however, observed. 相似文献
83.
Benjamin S. Hsiao Rong-Ming Ho Stephen Z. D. Cheng 《Journal of Polymer Science.Polymer Physics》1995,33(17):2439-2447
Unique crystallization and melting behavior in poly(aryl ether ketone ketone) containing alternated terephthalic and isophthalic moieties were studied by time-resolved synchrotron x-ray methods. Recently, this material has been shown to exhibit three polymorphs (forms I, II, and III). In this work, we further investigated their distinctive thermal properties and found that form I is the dominating and the most thermally stable phase while form II is favored by fast nucleation conditions and is the least stable phase. On the other hand, form III represents a minor intermediate phase that usually coexists with form I and can be transferred from form II and to form I. Structural and morphological changes in form I have been followed by simultaneous wide-angle x-ray diffraction (WAXD)/small-angle x-ray scattering (SAXS) measurements during cold- or melt-crystallization and subsequent melting. In all cases, a larger dimensional change was found in the crystallographic a-axis than the b-axis during heating and cooling. This may be due to the greater lateral stress variation with respect to temperature along the a direction of the primary lamellae which is induced by either the formation of secondary lamellae or the preferential chain-folding direction in poly(aryl ether ketone ketone)s. During the phase transitions of form II ← III in the cold-crystallized specimen and form III ← I in the melt-crystallized samples, lamellar variables (long period, lamellar thickness, and invariant) obtained from SAXS remain almost constant. This indicates that the density distribution in the long spacing is independent of the melting in form II or III. For melt-crystallization, the corresponding changes in unit-cell dimensions and lamellar morphology during the annealing-induced low endotherm are most consistent with the argument that these changes are due to the melting of thin lamellar population. © 1995 John Wiley & Sons, Inc. 相似文献
84.
85.
Ricardo García-Pelayo Iván Salazar William C. Schieve 《Journal of statistical physics》1993,72(1-2):167-187
An analytically solvable model for sand avalanches of noninteracting grains of sand, based on the Chapman-Kolmogorov equations, is presented. For a single avalanche, distributions of lifetimes, sizes of overflows and avalanches, and correlation functions are calculated. Some of these are exponentials, some are power laws. Spatially homogeneous distributions of avalanches are also studied. Computer simulations of avalanches of interacting grains of sand are compared to the solutions to the Chapman-Kolmogorov equations. We find that within the range of parameters explored in the simulation, the approximation of noninteracting grains of sand is a good one. 相似文献
86.
X-ray photoelectron and Auger spectroscopies were used to examine surface bonding and overlayer growth during palladium and copper deposition onto films of fullerene, C60 The results were consistent with metal cluster formation on C60. The observed positive core electron binding energy shifts in small metallic clusters supported on C60 were shown to originate in metal-fullerene interaction accompanied by charge transfer. Palladium-fullerene intermixing at temperatures as low as ss 50°C was observed for small Pd coverages. 相似文献
87.
Ho K. I. J. Leung J. Y. T. Wei W. D. 《Journal of Algorithms in Cognition, Informatics and Logic》1994,16(3)
We consider the problem of preemptively scheduling a set of imprecise computation tasks on m ≥ 1 identical processors, with each task Ti having two weights, wi and w′i. Two performance metrics are considered: (1) the maximum w′-weighted error; (2) the total w-weighted error subject to the constraint that the maximum w′-weighted error is minimized. For the problem of minimizing the maximum w′-weighted error, we give an algorithm which runs in O(n3 log2n) time for multiprocessors and O(n2) time for a single processor. For the problem of minimizing the total w-weighted error subject to the constraint that the maximum w′-weighted error is minimized, we give an algorithm which also has the same time complexity. 相似文献
88.
F. Rubio F. García H. D. Burrows A. A. C. C. Pais A. J. M. Valente M. J. Tapia J. M. García 《Journal of polymer science. Part A, Polymer chemistry》2007,45(9):1788-1799
The interaction between trivalent lanthanide ions and poly(1,4,7,10,13‐pentaoxacyclopentadecan‐2‐yl‐methyl methacrylate), PCR5, in aqueous solution and in the solid state have been studied. In aqueous solution, evidence of a weak interaction between the lanthanides and PCR5 comes from the small red shift of the Ce(III) emission spectra and the slight broadening of the Gd(III) EPR spectra. From the Tb(III) lifetimes in the presence of H2O and D2O the loss of one or two water coordinated molecules is confirmed when Tb(III) is bound to PCR5. An association constant of the order of 200 M?1 was obtained for a 1:1 (lanthanide:15‐crown‐5) complex from the shift of the polymer NMR signals induced by Tb(III). A similar association constant is obtained from the differences of the molar conductivity of Ce(III) solution at various concentrations in presence and absence of PCR5. When Tb(III) is adsorbed on PCR5 membranes, lifetime experiments in H2O and D2O confirm the loss of 5 or 6 water coordinated molecules indicating that in solid state the lanthanide(III)‐PCR5 interaction is stronger than in solution. The adsorption of Ce(III) in PCR5 membranes shows a Langmuir type isotherm, from which an equilibrium constant of 39 M?1 has been calculated. SEM shows that the membrane morphology is not much affected by lanthanide adsorption. Support for lanthanide ion–crown interactions comes from ab initio calculations on 15‐crown‐5/La(III) complex. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 1788–1799, 2007 相似文献
89.
In this paper, we apply a three-stage-DEA model to the Spanish Professional Football League, which means separating the teams’
economic behaviour into three components: operating efficiency—of the offence and defence—athletic or operating effectiveness,
and social effectiveness. The results showed that the technical inefficiency of the defence is greater than that of the offence,
both being caused by aspects linked to the poor management of players’ abilities and by the football team’s size. Teams showed
a favourable evolution of their offensive and defensive efficiency during the 2004/2005 season and to a lesser extent in the
season before. The point system assigned by the professional football league regulations evaluates the teams’ athletic effectiveness,
but we detected that the teams with the most experience perform athletically in a more effective manner. Their social effectiveness
is strongly related to the level of play in itself and to factors linked to their PFL ranking: participation in international
competitions for important football teams; or the struggle of minor football teams to stay in the first division. 相似文献
90.
Rodrigo París José Luis de la Fuente 《Journal of polymer science. Part A, Polymer chemistry》2007,45(16):3538-3549
Different diblock copolymers constituted by one segment of a monomer supporting a reactive functional group, like allyl methacrylate (AMA), were synthesized by atom transfer radical polymerization (ATRP). Bromo‐terminated polymers, like polystyrene (PS), poly(methyl methacrylate) (PMMA), and poly(butyl acrylate) (PBA) were employed as macroinitiators to form the other blocks. Copolymerizations were carried out using copper chloride with N,N,N′,N″,N″‐pentamethyldiethylenetriamine (PMDETA) as the catalyst system in benzonitrile solution at 70 °C. At the early stage, the ATRP copolymerizations yielded well‐defined linear block copolymers. However, with the polymerization progress a change in the macromolecular architecture takes place due to the secondary reactions caused by the allylic groups, passing to a branched and/or star‐shaped structure until finally yielding gel at monomer conversion around 40% or higher. The block copolymers were characterized by means of size exclusion chromatography (SEC), 1H NMR spectroscopy, and differential scanning calorimetry (DSC). In addition, one of these copolymers, specifically P(BA‐b‐AMA), was satisfactorily modified through osmylation reaction to obtain the subsequent amphiphilic diblock copolymer of P(BA‐b‐DHPMA), where DHPMA is 2,3‐dihydroxypropyl methacrylate; demonstrating the feasibility of side‐chain modification of the functional obtained copolymers. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 3538–3549, 2007 相似文献