Molecular dynamics simulations of the oligonucleotide with the modified phosphate/phosphonate internucleotide linkage

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.     

Functional equations on abelian groups with involution

Summary We produce complete solution formulas of selected functional equations of the formf(x +y) ±f(x + σ (ν)) = Σ _I ² =₁ g _l (x)h _l (y),x, y∈G, where the functionsf,g ₁,h ₁ to be determined are complex valued functions on an abelian groupG and where σ:G→G is an involution ofG. The special case of σ=−I encompasses classical functional equations like d’Alembert’s, Wilson’s first generalization of it, Jensen’s equation and the quadratic equation. We solve these equations, the equation for symmetric second differences in product form and similar functional equations for a general involution σ.     

XPS and XAES study of the interaction of palladium and copper overlayers with fullerene films

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.     

Quantification of trace elements in human serum fractions by liquid chromatography and inductively coupled plasma mass spectrometry

On‐line coupling of LC and ICP‐MS has been used for fractionation and detection of species of Cu, Fe, I, Se and Zn in human serum. It has been shown that anion exchange chromatography provided better separation capability (both intra‐ and inter‐element) than size‐exclusion chromatography. The mobile phases for ion exchange chromatography consisted of Tris–HNO₃ buffer and ammonium salt (nitrate, acetate or formate). Formate was found to be the best mobile phase counter ion, enabling good chromatographic separation, and is acceptable for mass spectrometry too. The quantitative evaluation of element concentrations adhering to individual fractions was performed by the peak area normalization method. The repeatability of results ranged from 3 to 15% (depending on the element concentration level) and represented the main part of the result uncertainty. The accuracy of Cu and Zn fraction determinations was confirmed by comparison with the isotope dilution technique. Copyright © 2006 John Wiley & Sons, Ltd.     

On-line arbitrarily vertex decomposable trees

A tree T is arbitrarily vertex decomposable if for any sequence τ of positive integers adding up to the order of T there is a sequence of vertex-disjoint subtrees of T whose orders are given by τ. An on-line version of the problem of characterizing arbitrarily vertex decomposable trees is completely solved here.     

Group-valued measures on coarse-grained quantum logics

In [3] it was shown that a (real) signed measure on a cyclic coarse-grained quantum logic can be extended, as a signed measure, over the entire power algebra. Later ([9]) this result was re-proved (and further improved on) and, moreover, the non-negative measures were shown to allow for extensions as non-negative measures. In both cases the proof technique used was the technique of linear algebra. In this paper we further generalize the results cited by extending group-valued measures on cyclic coarse-grained quantum logics (or non-negative group-valued measures for lattice-ordered groups). Obviously, the proof technique is entirely different from that of the preceding papers. In addition, we provide a new combinatorial argument for describing all atoms of cyclic coarse-grained quantum logics.     

Spectral enhancement of Polish vowels to improve their identification by hearing impaired listeners

Abnormalities in the cochlear function usually cause broadening of the auditory filters which reduces the speech intelligibility. An attempt to apply a spectral enhancement algorithm has been undertaken to improve the identification of Polish vowels by subjects with cochlear-based hearing-impairment. The identification scores of natural (unprocessed) vowels and spectrally enhanced (processed) vowels has been measured for hearing-impaired subjects. It has been found that spectral enhancement improves vowel scores by about 10% for those subjects, however, a wide variation in individual performance among subjects has been observed. The overall vowels identification scores obtained were 85% for natural vowels and 96% for spectrally enhanced vowels.     

On the computation of scaling coefficients of Daubechies' wavelets

In the present paper, Daubechies' wavelets and the computation of their scaling coefficients are briefly reviewed. Then a new method of computation is proposed. This method is based on the work [7] concerning a new orthonormality condition and relations among scaling moments, respectively. For filter lengths up to 16, the arising system can be explicitly solved with algebraic methods like Gröbner bases. Its simple structure allows one to find quickly all possible solutions.     

Equivalence between mixed finite element and multi-point finite volume methods

We consider the lowest-order Raviart–Thomas mixed finite element method for elliptic problems on simplicial meshes in two or three space dimensions. This method produces saddle-point type problems for scalar and flux unknowns. We show how to easily eliminate the flux unknowns, which implies an equivalence between this method and a particular multi-point finite volume scheme, without any approximate numerical integration. We describe the stencil of the final matrix and give sufficient conditions for its symmetry and positive definiteness. We present a numerical example illustrating the performance of the proposed method. To cite this article: M. Vohralík, C. R. Acad. Sci. Paris, Ser. I 339 (2004).