721 research outputs found
Comparison between semiempirical and experimental force fields of oligothiophenes as an approach for the calculations of the vibrational spectrum of the polymer
The vibrational spectra of oligomers of thiophene are treated theoretically with the main purpose to derive information for the interpretation of the spectra of polythiophene and isotopic derivatives. In the present work, we fiit compare the calculated MNDC Pulay scaled force field of thiophene molecule with an experimental harmonic force field that we have obtained by least-square refinement on nine isotopic derivatives. The scaling factors were transferred from thiophene for the computation of the vibrational spectrum of polythiophene
Quantum coherent control of highly multipartite continuous-variable entangled states by tailoring parametric interactions
The generation of continuous-variable multipartite entangled states is
important for several protocols of quantum information processing and
communication, such as one-way quantum computation or controlled dense coding.
In this article we theoretically show that multimode optical parametric
oscillators can produce a great variety of such states by an appropriate
control of the parametric interaction, what we accomplish by tailoring either
the spatio-temporal shape of the pump, or the geometry of the nonlinear medium.
Specific examples involving currently available optical parametric oscillators
are given, hence showing that our ideas are within reach of present technology.Comment: 14 pages, 5 figure
pi-conjugation and charge polarization in fluorene-dibenzothiophene-S,S-dioxide co-oligomers by Raman spectroscopy and quantum chemistry
Densification of WC-Fe-Ni-Co-Cr cemented carbides processed by HIP after sintering: effect of WC powder particle size
Shrinkage, liquid formation and mass losses of WC-19 vol% FeNiCoCr alloys during sintering have been inves-
tigated in compositions either with coarse or submicron WC powders. Mass losses detected by thermogravimetry
are compatible with carbothermal reduction of the different oxides present in the powder mixtures. Hardness and
fracture toughness of materials based on submicron WC powders are within tolerances of those reported for WC-
Co materials with similar microstructures. However, fracture strength is approx. 25% lower
First month prednisone dose predicts prednisone burden during the following 11 months: An observational study from the RELES cohort
Aim: To study the influence of prednisone dose during the first month after systemic lupus erythematosus (SLE) diagnosis (prednisone-1) on glucocorticoid burden during the subsequent 11 months (prednisone-2–12). Methods: 223 patients from the Registro Español de Lupus Eritematoso Sistémico inception cohort were studied. The cumulative dose of prednisone-1 and prednisone-2–12 were calculated and recoded into a four-level categorical variable: no prednisone, low dose (up to 7.5 mg/day), medium dose (up to 30 mg/day) and high dose (over 30 mg/day). The association between the cumulative prednisone-1 and prednisone-2–12 doses was tested. We analysed whether the four-level prednisone-1 categorical variable was an independent predictor of an average dose >7.5 mg/day of prednisone-2–12. Adjusting variables included age, immunosuppressives, antimalarials, methyl-prednisolone pulses, lupus nephritis and baseline SLE Disease Activity Index (SLEDAI). Results: Within the first month, 113 patients (51%) did not receive any prednisone, 24 patients (11%) received average low doses, 46 patients (21%) received medium doses and 40 patients (18%) received high doses. There was a strong association between prednisone-1 and prednisone-2–12 dose categories (p7.5 mg/day, while patients receiving low-dose prednisone-1 were not (adjusted OR 1.4, 95% CI 0. 0.38 to 5.2). If the analysis was restricted to the 158 patients with a baseline SLEDAI of =6, the model did not change. Conclusion: The dose of prednisone during the first month after the diagnosis of SLE is an independent predictor of prednisone burden during the following 11 months
Fingerprints of Through-Bond and Through-Space Exciton and Charge π-Electron Delocalization in Linearly Extended [2.2]Paracyclophanes
New stilbenoid and
thiophenic compounds terminally functionalized
with donor–donor, acceptor–acceptor, or donor–acceptor
moieties and possessing a central [2.2]paracyclophane unit have been
prepared, and their properties interpreted in terms of through-bond
and through space π-electron delocalization (i.e., π-conjugations).
Based on photophysical data, their excited-state properties have been
described with a focus on the participation of the central [2.2]paracyclophane
in competition with through-bond conjugation in the side arms. To
this end, two-photon and one-photon absorption and emission spectroscopy,
as a function of temperature, solvent polarity, and pressure in the
solid state have been recorded. Furthermore, charge delocalization
through the [2.2]paracyclophane in the neutral state and in the oxidized
species (radical cations, dications and radical trications) has been
investigated, allowing the elucidation of the vibrational Raman fingerprint
of through-space charge delocalization. Thus, a complementary approach
to both “intermolecular” excitation and charge delocalizations
in [2.2]paracyclophane molecules is shown which can serve as models
of charge and exciton migration in organic semiconductors
Performance of the CMS Cathode Strip Chambers with Cosmic Rays
The Cathode Strip Chambers (CSCs) constitute the primary muon tracking device
in the CMS endcaps. Their performance has been evaluated using data taken
during a cosmic ray run in fall 2008. Measured noise levels are low, with the
number of noisy channels well below 1%. Coordinate resolution was measured for
all types of chambers, and fall in the range 47 microns to 243 microns. The
efficiencies for local charged track triggers, for hit and for segments
reconstruction were measured, and are above 99%. The timing resolution per
layer is approximately 5 ns
Performance and Operation of the CMS Electromagnetic Calorimeter
The operation and general performance of the CMS electromagnetic calorimeter
using cosmic-ray muons are described. These muons were recorded after the
closure of the CMS detector in late 2008. The calorimeter is made of lead
tungstate crystals and the overall status of the 75848 channels corresponding
to the barrel and endcap detectors is reported. The stability of crucial
operational parameters, such as high voltage, temperature and electronic noise,
is summarised and the performance of the light monitoring system is presented
Evolutionary Convergence and Nitrogen Metabolism in Blattabacterium strain Bge, Primary Endosymbiont of the Cockroach Blattella germanica
Bacterial endosymbionts of insects play a central role in upgrading the diet of their hosts. In certain cases, such as aphids and tsetse flies, endosymbionts complement the metabolic capacity of hosts living on nutrient-deficient diets, while the bacteria harbored by omnivorous carpenter ants are involved in nitrogen recycling. In this study, we describe the genome sequence and inferred metabolism of Blattabacterium strain Bge, the primary Flavobacteria endosymbiont of the omnivorous German cockroach Blattella germanica. Through comparative genomics with other insect endosymbionts and free-living Flavobacteria we reveal that Blattabacterium strain Bge shares the same distribution of functional gene categories only with Blochmannia strains, the primary Gamma-Proteobacteria endosymbiont of carpenter ants. This is a remarkable example of evolutionary convergence during the symbiotic process, involving very distant phylogenetic bacterial taxa within hosts feeding on similar diets. Despite this similarity, different nitrogen economy strategies have emerged in each case. Both bacterial endosymbionts code for urease but display different metabolic functions: Blochmannia strains produce ammonia from dietary urea and then use it as a source of nitrogen, whereas Blattabacterium strain Bge codes for the complete urea cycle that, in combination with urease, produces ammonia as an end product. Not only does the cockroach endosymbiont play an essential role in nutrient supply to the host, but also in the catabolic use of amino acids and nitrogen excretion, as strongly suggested by the stoichiometric analysis of the inferred metabolic network. Here, we explain the metabolic reasons underlying the enigmatic return of cockroaches to the ancestral ammonotelic state
Blockage of angiotensin II type I receptor decreases the synthesis of growth factors and induces apoptosis in C6 cultured cells and C6 rat glioma
Angiotensin II (Ang II) is a main effector peptide in the renin–angiotensin system and participates in the regulation of vascular tone. It also has a role in the expression of growth factors that induce neovascularisation which is closely associated to the growth of malignant gliomas. We have shown that the selective blockage of the AT1 receptor of angiotensin inhibites tumour growth, cell proliferation and angiogenesis of C6 rat glioma. The aim of this study was to study the effects of the blockage of AT1 receptor on the synthesis of growth factors, and in the genesis of apoptosis in cultured C6 glioma cells and in rats with C6 glioma. Administration of losartan at doses of 40 or 80 mg kg−1 to rats with C6 glioma significantly decreased tumoral volume and production of platelet-derived growth factor, vascular endothelial growth factor and basic fibroblast growth factor. It also induced apoptosis in a dose-dependent manner. Administration of Ang II increased cell proliferation of cultured C6 cells which decreased by the administration of losartan. Our results suggest that the selective blockage of AT1 diminishes tumoral growth through inhibition of growth factors and promotion of apoptosis
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