Search results for "coupled"
showing 10 items of 742 documents
Mineral profile of kaki fruits (Diospyros kaki L.)
2015
The main objective of this study was the determination of the mineral profile of 167 kaki fruit (Diospyros kaki L.) samples produced from different regions of Spain, including samples with the protected designation of origin (PDO) 'Kaki Ribera del Xúquer' Valencia (Spain). Samples were analysed by inductively coupled plasma optical emission spectroscopy (ICP-OES) and inductively coupled plasma mass spectrometry (ICP-MS). Consumption of one piece of kaki fruit (200-400 g) would give a mineral intake providing 1-10% of the recommended daily allowance (RDA) for calcium, 1-30% for copper and potassium, 1-15% from iron and magnesium, up to 1% of sodium, and up to 4% of zinc. ANOVA analysis indic…
Cloning of a novel putative G-protein-coupled receptor (NLR) which is expressed in neuronal and lymphatic tissue.
1993
AbstractA novel G-protein-coupled receptor was isolated from mouse and rat neuronal and lymphatic tissues. The amino acid sequence of the rat receptor (rNLR) shows an overall homology of 80% to a recently cloned receptor from Burkitt's lymphoma cells (BLR1) which is exclusively expressed in lymphatic tissues [(1992) Eur. J. Immunol. 22, 2795]. Much less homology between rNLR and BLR1 was observed at the N-terminus (about 40%), whereas rNLR and the mouse homologue mNLR show 92% amino acid identity. Northern blot analysis of NLR revealed a predominant 5.5 kb mRNA species in various brain regions and neuronal cell lines, whereas in the spleen a 3 kb transcript is predominant. This distribution…
Efficient Design of Waveguide Manifold Multiplexers Based on Low-Order EM Distributed Models
2015
In this paper, a new systematic technique to design manifold-coupled multiplexers in waveguide technology is proposed. The new technique uses generalized low-order electromagnetic (EM) distributed models, which constitute a half-way point between the fast, but imprecise, analytical models, and the more accurate, but costly, full-wave EM models. The method can be applied to contiguous and noncontiguous channel multiplexers, in both E-plane or H-plane configurations. This paper covers the complete design procedure for manifold multiplexers, starting from the required specifications and finishing with the physical dimensions. After explaining the general design technique for multiplexers with …
Correction: “On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer
2015
We present an accelerated ab initio path-integral molecular dynamics technique, where the interatomic forces are calculated “on-the-fly” by accurate coupled cluster electronic structure calculations. In this way not only dynamic electron correlation, but also the harmonic and anharmonic zero-point energy, as well as tunneling effects are explicitly taken into account. This method thus allows for very precise finite temperature quantum molecular dynamics simulations. The predictive power of this novel approach is illustrated on the example of the protonated water dimer, where the impact of nuclear quantum effects on its structure and the 1H magnetic shielding tensor are discussed in detail.
On the electron affinity of TCNQ
2004
The electron affinity of 7,7,8,8-tetracyano-p-quinodimethane (TCNQ) has been studied with density functional theory and coupled cluster (CC) procedures. The adiabatic electron affinity of TCNQ calculated with the B3LYP method is about 1 eV higher than the available experimental value. At the CCSD(T) level, the theoretical result is overestimated by more than 0.4 eV. The electron affinity computed for TCNQ is larger than that obtained for tetracyanoethylene at all levels of calculation, exactly the opposite of what is observed experimentally. Accordingly, a call for an additional empirical measurement of such a property is made.
The CCSD(T) model with Cholesky decomposition of orbital energy denominators
2010
A new implementation of the coupled cluster singles and doubles with approximate triples correction method [CCSD(T)] using Cholesky decomposition of the orbital energy denominators is described. The new algorithm reduces the scaling of CCSD(T) from N-7 to N-6, where N is the number of orbitals. The Cholesky decomposition is carried out using simple analytical expressions that allow us to evaluate a priori the order in which the decomposition should be carried out and to obtain the relevant parts of the vectors whenever needed in the calculation. Several benchmarks have been carried out comparing the performance of the conventional and Cholesky CCSD(T) implementations. The Cholesky implement…
Determination of mercury at picogram level in natural waters with inductively coupled plasma mass spectrometry by using 3D printed metal scavengers
2019
The determination of ultra-trace concentrations of Hg in natural water samples via preconcentration using 3D printed metal scavenger technique followed by inductively coupled plasma mass spectrometry (ICP-MS) was developed. The determination of Hg in certified reference material ERM-CA615 (groundwater) was performed with high accuracy and precision resulting in recovery of 100 ± 3% and RSD <2.5%, respectively. Selective laser sintering (SLS) 3D printing was used to fabricate the scavengers using a mixture of polyamide-12 powder with thiol-functionalized silica. The preconcentration procedure is based on the adsorption of Hg on the scavenger and followed by elution of the preconcentrated Hg …
Formation of new genes explains lower intron density in mammalian Rhodopsin G protein-coupled receptors
2007
Mammalian G protein-coupled receptor (GPCR) genes are characterised by a large proportion of intronless genes or a lower density of introns when compared with GPCRs of invertebrates. It is unclear which mechanisms have influenced intron density in this protein family, which is one of the largest in the mammalian genomes. We used a combination of Hidden Markov Models (HMM) and BLAST searches to establish the comprehensive repertoire of Rhodopsin GPCRs from seven species and performed overall alignments and phylogenetic analysis using the maximum parsimony method for over 1400 receptors in 12 subgroups. We identified 14 different Ancestral Receptor Groups (ARGs) that have members in both vert…
Capillary electrophoresis–inductively coupled plasma-mass spectrometry hyphenation for the determination at the nanogram scale of metal affinities an…
2012
Abstract A screening strategy based on hyphenated capillary electrophoresis and inductively coupled plasma mass spectrometry (CE–ICP-MS) was developed to classify phosphorylated ligands according to their europium(III) binding affinity in a hydro-organic medium (sodium formate, pH 3.7, H2O/MeOH 90:10, v/v). Taking advantage of the high sensibility of ICP-MS for detecting phosphorus, this method enabled to assess the affinity of a variety of phosphorylated compounds, including phosphine oxides, thiophosphines, phosphonates, and phosphinates, in less than 1 h and using less than 5 ng of substance. By varying the total europium concentration, complexation constants could be determined accordin…
Nonmonotonic Pattern Formation in Three Species Lotka-Volterra System with Colored Noise
2005
A coupled map lattice of generalized Lotka-Volterra equations in the presence of colored multiplicative noise is used to analyze the spatiotemporal evolution of three interacting species: one predator and two preys symmetrically competing each other. The correlation of the species concentration over the grid as a function of time and of the noise intensity is investigated. The presence of noise induces pattern formation, whose dimensions show a nonmonotonic behavior as a function of the noise intensity. The colored noise induces a greater dimension of the patterns with respect to the white noise case and a shift of the maximum of its area towards higher values of the noise intensity.