Search results for "component"
showing 10 items of 1682 documents
Kohn–Sham energy decomposition for molecules in a magnetic field
2018
We study the total molecular electronic energy and its Kohn–Sham components within the framework of magnetic-field density-functional theory (BDFT), an alternative to current-dependent density-functional theory (CDFT) for molecules in the presence of magnetic fields. For a selection of closed-shell dia- and paramagnetic molecules, we investigate the dependence of the total electronic energy and its Kohn–Sham components on the magnetic field. Results obtained from commonly used density-functional approximations are compared with those obtained from Lieb optimizations based on magnetic-field dependent relaxed coupled-cluster singles-and-doubles (CCSD) and second-order Moller–Plesset (MP2) den…
The AB Doradus system revisited: The dynamical mass of AB Dor A/C
2017
We report new radio interferometric observations of the quadruple pre-main-sequence (PMS) system ABD oradus. From these observations, combined with existing VLT near-infrared relative astrometry, we have refined the estimates of the dynamical masses of the system. In particular, we find component masses of 0.86 ± 0.09M⊙ and 0.090 ± 0.003M⊙ for ABD or A and ABD or C, respectively. These dynamical masses, coupled with temperatures and luminosities, allow for comparison with theoretical stellar models. The case of ABDorC, in terms of calibration of evolutionary models of low-mass young stars has been widely reported in previous studies. In this contribution, we compare the measured properties …
Wavelength-flattened directional couplers for mirror-symmetric interferometers
2005
In the context of guided optics, we derive, analytically and geometrically, a rigorous general criterion to design wavelength insensitive interferometers with mirror symmetry, which are needed for wavelength multiplexing/demultiplexing. The criterion is applied to a practical case, resulting in an interferometer that works on a band wider than 70 nm.
Radiation pressure-assisted acceleration of ions using multi-component foils in high-intensity laser–matter interactions
2013
Experimental results on the acceleration of protons and carbon ions from ultra-thin polymer foils at intensities of up to 6x10(19)Wcm(-2) are presented revealing quasi-monoenergetic spectral characteristics for different ion species at the same time. For carbon ions and protons, a linear correlation between the cutoff energy and the peak energy is observed when the laser intensity is increased. Particle-in-cell simulations supporting the experimental results imply an ion acceleration mechanism driven by the radiation pressure as predicted for multi-component foils at these intensities.
A new approach to interacting fields
1974
A model for a description of interaction, which involves particle creation, can be given as follows: (1) A smooth finite-dimensional manifoldM constitutes the configuration space of some interacting system. (2) The concept of an interacting field is formulated in terms of two-component objects which consist of a physical and a topological field component which are ‘derived’ fromM. (3) Interaction is described in terms of the topological linking number of the topological field components and in terms of the intrinsic field equations.
Molecular dynamics study of phase separation kinetics in thin films.
2005
We use molecular dynamics to simulate experiments where a symmetric binary fluid mixture (AB), confined between walls that preferentially attract one component (A), is quenched from the one-phase region into the miscibility gap. Surface enrichment occurs during the early stages, yielding a B-rich mixture in the film center with well-defined A-rich droplets. The droplet size grows with time as l(t) proportional t(2/3) after a transient regime. The present atomistic model is also compared to mesoscopic coarse-grained models for this problem.
A neural network clustering algorithm for the ATLAS silicon pixel detector
2014
A novel technique to identify and split clusters created by multiple charged particles in the ATLAS pixel detector using a set of artificial neural networks is presented. Such merged clusters are a common feature of tracks originating from highly energetic objects, such as jets. Neural networks are trained using Monte Carlo samples produced with a detailed detector simulation. This technique replaces the former clustering approach based on a connected component analysis and charge interpolation. The performance of the neural network splitting technique is quantified using data from proton-proton collisions at the LHC collected by the ATLAS detector in 2011 and from Monte Carlo simulations. …
Functional characterization of the plastidial 3-phosphoglycerate dehydrogenase family in Arabidopsis.
2013
This work contributes to unraveling the role of the phosphorylated pathway of serine (Ser) biosynthesis in Arabidopsis (Arabidopsis thaliana) by functionally characterizing genes coding for the first enzyme of this pathway, 3-phosphoglycerate dehydrogenase (PGDH). We identified two Arabidopsis plastid-localized PGDH genes (3-PGDH and EMBRYO SAC DEVELOPMENT ARREST9 [EDA9]) with a high percentage of amino acid identity with a previously identified PGDH. All three genes displayed a different expression pattern indicating that they are not functionally redundant. pgdh and 3-pgdh mutants presented no drastic visual phenotypes, but eda9 displayed delayed embryo development, leading to aborted emb…
Detection of a plant enzyme exhibiting chlorogenate-dependant caffeoyltransferase activity in methanolic extracts of arbuscular mycorrhizal tomato ro…
2012
When Glomus intraradices-colonised tomato roots were extracted in methanol at 6 degrees C, chlorogenic acid (5-caffeoylquinic acid), naturally present in the extract, was slowly converted by transesterification into methyl caffeate. The progress of the reaction could be monitored by HPLC. The reaction only occurred when the ground roots were left in contact with the hydro-alcoholic extract and required the presence of 15-35% water in the mixture. When the roots were extracted in ethanol, chlorogenic acid was transformed to ethyl caffeate in the same conditions. The reaction was also detected in Glomus mosseae-colonised tomato root extracts. It was also detectable in non-mycorrhizal root ext…
Cytotoxicity of abietane diterpenoids from Salvia multicaulis towards multidrug-resistant cancer cells.
2018
Diterpenoids salvimulticanol (1) and salvimulticaoic acid (2) together with known diterpenoid (3-6) were isolated from Salvia multicaulis. Structures were elucidated by spectroscopic techniques including HRESIMS as well as 1D-, and 2D-NMR. In-vitro cytotoxicity was assayed against human cancer cell lines. As several metabolites exhibited activity against drug-resistance lines, compounds were screened against a panel of human drug-sensitive and multidrug-resistant cancer lines. A proposed biosynthetic pathway for these new diterpenoids (1-2) as well as the cytotoxic structure-activity relationship of all identified compounds were discussed. Compound 1 and 6 showed the most potent cytotoxicit…