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“…In the last few years there has been a renaissance of interest, quite largely due to the remarkable success of the new generation of gradient functionals whose initiators include invitees to the workshop (Perdew, Parr, Yang).…”
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“…Additionally, the transcriptome results revealed that most of the inflammasome-related genes, including ASC, NLRP3, and caspase-1, were down-regulated in the Atlantic salmon following its adaptation to seawater (also known as parr–smolt transformation). This is correlated with a temporary detrimental effected on the immune system. …”
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“…Initially, the estimated bandgap of AlAuO(2) 0.45, 0.486, 0.419 and 2.49 eV in Perdew-Burke-Ernzerhof (PBE), Revised Perdew-Burke-Ernzerhof (RPBE), PBE for solids (PBE sol) and Becke three-parameter Lee-Yang-Parr (B3LYP) method respectively while AlAu(094)Fe(006)O(2) has a zero-band gap after 6 % Fe doping. …”
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“…The microarray comprises 16 950 Atlantic salmon-derived cDNA features, printed in duplicate and mostly sourced from pre-existing expressed sequence tag (EST) collections [SALGENE and salmon genome project (SGP)] but also supplemented with cDNAs from suppression subtractive hybridization libraries and candidate genes involved in immune response, protein catabolism, lipid metabolism and the parr–smolt transformation. A preliminary analysis of a dietary lipid experiment identified a number of genes known to be involved in lipid metabolism. …”
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“…From a transcriptional standpoint, it is important to characterize the changes in gene expression over the course of unperturbed early development, from fertilization through to the parr stage. FINDINGS: S. salar samples were taken at 17 time points from 2 to 89 days post fertilization. …”
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“…Active segregation of E. coli low-copy number plasmid R1 involves formation of a bipolar spindle made of left-handed double-helical actin-like ParM filaments (1-6). ParR links the filaments with centromeric parC plasmid DNA, while facilitating the addition of subunits to ParM filaments (3,7-9). …”
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“…Strikingly, however, in the presence of ParR and parC, ParM-YFP adopted a dramatically different structure, instead forming axial curved filaments. …”
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“…We applied the latent environmental threshold model (LETM), which provides a conceptual framework linking individual status to a threshold controlling the decision to develop alternative traits, in an innovative experimental design using a semi-natural river which allowed for ecologically relevant phenotypic expression. Early male parr maturation rates varied greatly across families (10 to 93%) which translated into 90% [64–100%] of the phenotypic variation explained by genetic variation. …”
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“…The choice of active sites applicable to nucleophilic, electrophilic as well as radical attacks were made by linking them with Fukui functions indices, electrophilic and nucleophilic Parr functions, and the condensed Dual Descriptor Δf(r). …”
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“…The entire data set was optimized at the density functional theory (DFT) level using the Becke's three-parameter Lee-Yang-Parr hybrid functional (B3LYP) in combination with the 6-311G(∗) basis set. …”
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“…[Image: see text] We calculated the ground and low-lying excited states of cyclopenta-fused polycyclic aromatic hydrocarbons (CP-PAHs) using exact diagonalization in full configuration interaction (CI) within the model Pariser–Parr–Pople Hamiltonian as well as a time-dependent density functional theory technique. …”
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“…Moreover, their effects on cell differentiation (CD90 and CD 105 and PARR- ɣ) and death markers (GSK3b, MAPK, and β-catenin) were evaluated. …”
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“…Coordination of the copper to alkyne changes the mechanism from a non-polar one-step mechanism to a polar stepwise one, as a consequence of the high nucleophilic character of the dinuclear Cu(i)-acetylide complex. Parr and Fukui functions and Dual Descriptor correctly explain the observed regioselectivity by means of the most favorable two-center interaction that takes place along the 1,4 reaction path.…”
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“…Along one of the two pathways, a good correlation was found between the activation barriers and suitable nucleophilicity descriptors (nucleophilic Parr function and global nucleophilicity). Additionally, the tendency of the reaction energies can be explained by the changing aromaticity of the products.…”
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“…Referring to the configuration of the lower-mobility parallel mechanism, a 3-RRS (R and S denote revolute and spherical joint respectively) parallel ankle rehabilitation robot (PARR) was proposed. The robot can realize both single and compound ankle rehabilitation training. …”
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“…DFT, NBO, MESP, and local reactivity calculations were obtained via utilizing CAM-Becke's three-parameter functional and Leee Yange Parr (CAM-B3LYP) functional and 6-311G +  + (2d, 2p) basis set. …”
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