Analytical Potential Energy Function for the Ground State X^{1} Sigma^+ of LaCl

The equilibrium geometry, harmonic frequency and dissociation energy of lanthanum monochloride have been calculated at B3LYP, MP2, QCISD(T) levels with energy-consistent relativistic effective core potentials. The possible electronic state and reasonable dissociation limit for the ground state are determined based on atomic and molecular reaction statics. Potential energy curve scans for the ground state X^{1} Sigma^+ have been carried out with B3LYP and QCISD(T) methods due to their better performance in bond energy calculations. We find the potential energy calculated with QCISD(T) method is about 0.5 eV larger than dissociation energy when the diatomic distance is as large as 0.8 nm. The problem that single-reference ab initio methods don't meet dissociation limit during calculations of lanthanide heavy-metal elements is analyzed. We propose the calculation scheme to derive analytical Murrell-Sorbie potential energy function and Dunham expansion at equilibrium position. Spectroscopic constants got by standard Dunham treatment are in good agreement with results of rotational analyses on spectroscopic experiments. The analytical function is of much realistic importance since it is possible to be applied to predict fine transitional structure and study reaction dynamic process.Comment: 10 pages, 1 figure, 3 table

4-Benzyl-4-methyl­morpholinium hexa­fluoro­phosphate

In the title compound, C12H18NO+·PF6 −, the asymmetric unit consists of two cation–anion pairs. The six F atoms of one anion are disordered over two sets of sites in a 0.592 (6):0.408 (6) ratio. The morpholinium rings adopt chair conformations

Novel Mutation in Boy With Cartilage-hair Hypoplasia

BackgroundCartilage-hair hypoplasia (MIM 250250) is an autosomal recessive disease with diverse clinical manifestations. The clinical phenotypes include variable degrees of bone and hair dysplasia, deficient cellular and/or humoral immunity, and a predisposition to malignancy.MethodsWe performed genetic studies of a patient with disproportionate short stature and brittle scalp hair. Genetic studies were also carried out in the patient's parents.ResultsA novel maternal mutation that consisted of a duplication of 14 nucleotides at position −13 of the RNA component of the RNA component of mitochondrial RNA processing endoribonuclease gene (RMRP; g. −26 to −13 dupTACTACTCTGTGAA, promoter region) and a paternal mutation base substitution of C to T at nucleotide + 230 (designated as + 1 in the transcription initiation site) in the coding sequence of RMRP were detected in this patient.ConclusionA novel maternal RMRP mutation was found in a Chinese boy with typical cartilage-hair hypoplasia

Examining the Role of Semantic Similarity in Online Restaurant Review Evaluations

Both language and image are critical for the grasp of information embedded in online reviews. While a large quantity of research has focused on the role of textual features and visual features separately, the specific role of similarity between textual and visual information in online review evaluations (e.g., review usefulness and review enjoyment) remains unaddressed. Thus, drawing on dual coding theory, this study attempts to investigate the impacts of textual and visual features on review evaluations by employing the Latent Dirichlet Allocation (LDA) topic modeling and Google Vision API’s web detection techniques in the context of online restaurant review (ORR). Moreover, the moderating role of semantic similarity is examined in the relationships between textual/visual features and ORR evaluations. It is believed that this study could provide implications on information comprehension, draw consumer interest, and provide suggestions for restaurant managers to tune levels of review evaluation in a proper manner

Distributed tracking control of leader-follower multi-agent systems under noisy measurement

In this paper, a distributed tracking control scheme with distributed estimators has been developed for a leader-follower multi-agent system with measurement noises and directed interconnection topology. It is supposed that each follower can only measure relative positions of its neighbors in a noisy environment, including the relative position of the second-order active leader. A neighbor-based tracking protocol together with distributed estimators is designed based on a novel velocity decomposition technique. It is shown that the closed loop tracking control system is stochastically stable in mean square and the estimation errors converge to zero in mean square as well. A simulation example is finally given to illustrate the performance of the proposed control scheme.Comment: 8 Pages, 3 figure

Bis[4-(4-pyridyl)pyridinium] (4-carboxy­pyridine-2,6-dicarboxyl­ato-κ3 O 2,N,O 6)(pyridine-2,4,6-tricarboxyl­ato-κ3 O 2,N,O 6)ferrate(III) trihydrate

In the title salt, (C10H9N2)2[Fe(C8H2NO6)(C8H3NO6)]·3H2O, the FeIII atom is O,N,O′-chelated by dianionic and trianionic ligands in a slightly distorted octa­hedral coordination geometry. The cations and ferrate anions are linked into a layered structure; the layers are connected through the uncoordinated water mol­ecules into a hydrogen-bonded three-dimensional supra­molecular structure. One of the uncoordinated water molecules is disordered around an inversion centre and was refined with half-occupancy for each position