Search results for "2ND"

The first example of cofacial bis(dipyrrins)

2016

International audience; Two series of cofacial bis(dipyrrins) were prepared and their photophysical properties as well as their bimolecular fluorescence quenching with C-60 were investigated. DFT and TDDFT computations were also performed as a modeling tool to address the nature of the fluorescence state and the possible inter-chromophore interactions. Clearly, there is no evidence for such interactions and the bimolecular quenching of fluorescence, in comparison with mono-dipyrrins, indicates that C-60-bis(dipyrrin) contacts occur from the outside of the "mouth" of the cofacial structure.

Signalling strength determines proapoptotic functions of STING

2017

Mammalian cells use cytosolic nucleic acid receptors to detect pathogens and other stress signals. In innate immune cells the presence of cytosolic DNA is sensed by the cGAS–STING signalling pathway, which initiates a gene expression programme linked to cellular activation and cytokine production. Whether the outcome of the STING response varies between distinct cell types remains largely unknown. Here we show that T cells exhibit an intensified STING response, which leads to the expression of a distinct set of genes and results in the induction of apoptosis. Of note, this proapoptotic STING response is still functional in cancerous T cells and delivery of small molecule STING agonists prev…

Baltu filoloģija, 23. sēj., Nr.1

2014

A Cohort Study of Childhood Cancer Incidence after Postnatal Diagnostic X-Ray Exposure

2009

Ionizing radiation is an established cause of cancer, yet little is known about the health effects of doses from diagnostic examinations in children. The risk of childhood cancer was studied in a cohort of 92.957 children who had been examined with diagnostic X rays in a large German hospital during 1976-2003. Radiation doses were reconstructed using the individual dose area product and other exposure parameters, together with conversion coefficients developed specifically for the medical devices and standards used at the radiology department. Newly diagnosed cancers occurring between 1980 and 2006 were determined through record linkage to the German Childhood Cancer Registry. The median ra…

Las ánforas de Brindisi en Hispania Citerior. Pautas de distribución y consumo

2017

La presencia del ejército romano republicano en la Hispania Citerior ha sido difícil de reconocer en el pasado debido al error en la interpretación de algunos yacimientos y la falta de investigación sobre el tema. En los últimos años, se han realizado nuevas investigaciones sobre yacimientos romanos republicanos identificando pequeñas fortificaciones militares y asentamientos civiles itálicos relacionados con el ejército. Uno de los fósiles directores presentes en todos estos yacimientos es la cerámica itálica tanto fina como común y las ánforas. Precisamente, las ánforas de la Apulia constituyen uno de los fósiles directores poco estudiados; este artículo pretende llenar este vacío y mostr…

Assessment of the Potential Energy Hypersurfaces in Thymine within Multiconfigurational Theory: CASSCF vs. CASPT2

2016

The present study provides new insights into the topography of the potential energy hypersurfaces (PEHs) of the thymine nucleobase in order to rationalize its main ultrafast photochemical decay paths by employing two methodologies based on the complete active space self-consistent field (CASSCF) and the complete active space second-order perturbation theory (CASPT2) methods: (i) CASSCF optimized structures and energies corrected with the CASPT2 method at the CASSCF geometries and (ii) CASPT2 optimized geometries and energies. A direct comparison between these strategies is drawn, yielding qualitatively similar results within a static framework. A number of analyses are performed to assess t…

From magnetic to nonlinear optical switches in spin-crossover complexes

2013

ISI Document Delivery No.: 109TF Times Cited: 0 Cited Reference Count: 173 Lacroix, Pascal G. Malfant, Isabelle Real, Jose-Antonio Rodriguez, Vincent Wiley-v c h verlag gmbh Weinheim Si; Various attempts to combine magnetic and nonlinear optical (NLO) properties in a molecule are reviewed, with a special focus on the possibility of interplay between the magnetic component and the quadratic (proportional to E-2) NLO response. This multidisciplinary research leads to the idea of spin-crossover-induced (SCO-induced) NLO switching and is evaluated at the synthetic level, with insights provided by computational chemistry. The need for nontraditional experimental setups to record NLO properties i…

Slow-roll corrections in multi-field inflation: a separate universes approach

2018

In view of cosmological parameters being measured to ever higher precision, theoretical predictions must also be computed to an equally high level of precision. In this work we investigate the impact on such predictions of relaxing some of the simplifying assumptions often used in these computations. In particular, we investigate the importance of slow-roll corrections in the computation of multi-field inflation observables, such as the amplitude of the scalar spectrum $P_\zeta$, its spectral tilt $n_s$, the tensor-to-scalar ratio $r$ and the non-Gaussianity parameter $f_{NL}$. To this end we use the separate universes approach and $\delta N$ formalism, which allows us to consider slow-roll…

Smart district energy optimization of flexible energy units for the integration of local energy storage

2017

Several changes are involving electrical power systems, especially distribution networks. For this reason, the actors in charge of managing and operating reliably these grids are facing many technical issues regarding demand and supply balancing, Renewable Energy Sources and Electric Vehicles integration, peak load shaving, etc. In this context, many energy actions have been implemented for providing services to the power system managers by means of prosumers' demand and/or supply flexibility. This study reports the development of a centralized energy management solution for smart grids equipped with local storage devices, RES, consumers and other energy facilities in a district context. Th…

Molecular equilibrium structures from experimental rotational constants and calculated vibration–rotation interaction constants

2002

A detailed study is carried out of the accuracy of molecular equilibrium geometries obtained from least-squares fits involving experimental rotational constants B(0) and sums of ab initio vibration-rotation interaction constants alpha(r)(B). The vibration-rotation interaction constants have been calculated for 18 single-configuration dominated molecules containing hydrogen and first-row atoms at various standard levels of ab initio theory. Comparisons with the experimental data and tests for the internal consistency of the calculations show that the equilibrium structures generated using Hartree-Fock vibration-rotation interaction constants have an accuracy similar to that obtained by a dir…