Search results for " molecule"
showing 10 items of 1523 documents
Synthesis of Highly Functionalized Fluorinated Cispentacin Derivatives
2012
Fluorinated highly functionalized cispentacin derivatives were synthetised starting from an unsaturated bicyclic b-lactam through C¼C bond functionalization via the dipolar cycloaddition of a nitrile oxide, isoxazoline opening, and fluorination by OH/F exchange.
On the Study of Resonance Interactions and Splittings in the PH3 Molecule: ν1, ν3, ν2+ν4, and 2ν4 Bands
2002
International audience; The high-resolution (0.005 cm−1) Fourier transform infrared spectrum of PH3 is recorded and analyzed in the region of the fundamental stretching bands, ν1 and ν3. The ν2 + ν4 and 2ν4 bands are taken into account also. Experimental transitions are assigned to the ν1, ν3, ν2 + ν4, and 2ν4 bands with the maximum value of quantum number J equal to 15, 15, 13, and 15, respectively. a1–a2 splittings are observed and described up to the value of quantum number K equal to 10. The analysis of a1/a2 splittings is fulfilled with a Hamiltonian model which takes into account numerous resonance interactions among all the upper vibrational states
Electronic structure of tetraphenyldithiapyranylidene : A valence effective Hamiltonian theoretical investigation
1992
We present a theoretical investigation of the electronic structure of tetraphenyldithiapyranylidene (DIPSΦ4) using the nonempirical valence effective Hamiltonian (VEH) method. Molecular geometries are optimized at the semiempirical PM3 level which predicts an alternating nonaromatic structure for the dithiapyranylidene (DIPS) framework. The VEH one‐electron energy level distribution calculated for DIPSΦ4 is presented as a theoretical XPS simulation and is analyzed by comparison to the electronic structure of its molecular components DIPS and benzene. The theoretical VEH spectrum is found to be fully consistent with the experimental solid‐state x‐ray photoelectron spectroscopy (XPS) spectrum…
Heavy quark spin symmetry and SU(3)-flavour partners of the X (3872)
2013
In this work, an Effective Field Theory (EFT) incorporating light SU(3)-flavour and heavy quark spin symmetries is used to describe charmed meson-antimeson bound states. At Lowest Order (LO), this means that only contact range interactions among the heavy meson and antimeson fields are involved. Besides, the isospin violating decays of the X(3872) will be used to constrain the interaction between the D and a (D) over bar* mesons in the isovector channel. Finally, assuming that the X(3915) and Y(4140) resonances are D* (D) over bar* and D-s* (D) over bar (s)* molecular states, we can determine the four Low Energy Constants (LECs) of the EFT that appear at LO and, therefore, the full spectrum…
Communication: Rotational excitation of interstellar heavy water by hydrogen molecules
2010
Cross sections and rate coefficients for low lying rotational transitions in D(2)O induced by para-H(2) collisions are presented for the first time. Calculations have been performed at the close-coupling level with the deuterated variant of the H(2)O-H(2) interaction potential of Valiron et al. [J. Chem. Phys. 129, 134306 (2008)]. Rate coefficients are presented for temperatures between 1 and 30 K and are compared to the corresponding rate coefficients for H(2)O. Significant differences caused by the isotopic substitution are observed and are attributed to both kinematics and intramolecular geometry effects. Astrophysical implications are briefly discussed in view of the very recent detecti…
Soluble adhesion molecules correlate with liver inflammation and fibrosis in chronic hepatitis C treated with interferon-α
1998
Background: In chronic hepatitis C the relation of circulating adhesion molecules to disease features before, during and after therapy has not been completely established. Aim: To analyse the basal levels of circulating adhesins and the changes induced by interferon in these patients. Methods: We studied, using ELISA assays, the serum levels of soluble intercellular adhesion molecule-1 (sICAM-1) and vascular cell adhesion molecule-1 (sVCAM-1) in 52 patients with chronic hepatitis C on entry, prior to finalizing a 6-month course of interferon-α therapy and at the end of the follow-up. Correlations with clinical, virological and histological features, including inflammation and fibrosis, were…
Immunohistochemical Study as a Tool in Differential Diagnosis of Pediatric Malignant Rhabdoid Tumor
2010
Malignant rhabdoid tumors (MRTs) are aggressive childhood neoplasms, occurring mainly in the kidney and brain. We describe 2 unusual cases of extrarenal and noncranial location (liver and soft tissue with dissemination) mimicking hepatoblastoma, neuroblastoma or Ewing sarcoma. Both cases revealed a polyphenotypic profile, combined with cytokeratin, vimentin, and CD99 expression. INI1/BAF-47 showed negative protein nuclear expression in both cases, suggesting a diagnosis of MRT. An extensive immunohistochemical panel was performed to exclude pediatric tumors reminiscent of MRT. The genetic studies failed to detected MYCN amplification, 11q23 deletion, and EWS break-apart positivity. No alter…
Activation of oligodendroglial Fyn kinase enhances translation of mRNAs transported in hnRNP A2-dependent RNA granules.
2008
Central nervous system myelination requires the synthesis of large amounts of myelin basic protein (MBP) at the axon–glia contact site. MBP messenger RNA (mRNA) is transported in RNA granules to oligodendroglial processes in a translationally silenced state. This process is regulated by the trans-acting factor heterogeneous nuclear ribonucleoprotein (hnRNP) A2 binding to the cis-acting A2 response element (A2RE). Release of this repression of MBP mRNA translation is thus essential for myelination. Mice deficient in the Src family tyrosine kinase Fyn are hypomyelinated and contain reduced levels of MBP. Here, we identify hnRNP A2 as a target of activated Fyn in oligodendrocytes. We show that…
Analysis of high excited "hot" bands of the SO2 molecule
2011
The main goal of the present study is to analyse rotational structures of highly excited "hot" vibrational bands, v1+2v2-v2 and 2v2+v3-v2, v2+3v3-v2 and 2v1+v2+v3-v2, and v2+2v3-v2. All of these bands are located in the region of considerably stronger bands, v1 + v2 and v2 + v3, 3v3 and 2v1+v3, and 2v3, respectively . On that reason, as the first step of analysis, we made assignments of transitions belonging to these strong bands. As the result of analysis, we were able to assign three times more transitions to the bands v1 + v2 , v2 + v3, and 3v3 (3360 transitions with Jmax. = 78 and Kmax.a = 27 to the band v1 + v2, and 2380 transitions with Jmax. = 69 and Kmax.a = 24 to the band v2 + v3, …
Vibrational modes of the stibine molecule
2005
International audience; In this paper, we use the algebraic approach to describe the vibrational modes of stibine molecule (of C3v molecular symmetry group) up to 21 quanta. As the stibine molecule exhibits stretch-bend resonances, we build an algebraic pyramidal coupling operator between stretching modes and bending modes adapted to this molecule. The standard deviation associated to the fit of the vibrational levels is 1.75 cm-1.