Electrochemical reduction of carbamazepine in ethanol and water solutions using a glassy carbon electrode

The electrochemical reduction of carbamazepine in ethanol and water using a glassy carbon electrode has been studied. In all experimental conditions of scan rate and concentration of carbamazepine an irreversible cathodic wave was observed by cyclic voltammetry (CV). Electrochemical parameters and a plausible EqC mechanism have been reported from the electrochemical measurements and digital simulation. The values of thermodynamic E1/2 were correlated with solvent polarity parameters that it can be interesting for biological, pharmaceutical and forensic purposes. Limits of Detection (LOD) for DPV are 1.1 and 9.0 g/mL (4.65x10-6 and 3.81x10-5 M) in ethanol and water, respectively. The precision and recoveries obtained for tablets and plasma samples showed that the method could be successfully used for analysis

Kato square root problem with unbounded leading coefficients

We prove the Kato conjecture for elliptic operators, $L=-\nabla\cdot\left((\mathbf A+\mathbf D)\nabla\ \right)$, with $\mathbf A$ a complex measurable bounded coercive matrix and $\mathbf D$ a measurable real-valued skew-symmetric matrix in $\mathbb{R}^n$ with entries in $BMO(\mathbb{R}^n)$;\, i.e., the domain of $\sqrt{L}\,$ is the Sobolev space $\dot H^1(\mathbb{R}^n)$ in any dimension, with the estimate $\|\sqrt{L}\, f\|_2\lesssim \| \nabla f\|_2$

Cerebellum Transcriptome of Mice Bred for High Voluntary Activity Offers Insights into Locomotor Control and Reward-Dependent Behaviors.

The role of the cerebellum in motivation and addictive behaviors is less understood than that in control and coordination of movements. High running can be a self-rewarding behavior exhibiting addictive properties. Changes in the cerebellum transcriptional networks of mice from a line selectively bred for High voluntary running (H) were profiled relative to an unselected Control (C) line. The environmental modulation of these changes was assessed both in activity environments corresponding to 7 days of Free (F) access to running wheel and to Blocked (B) access on day 7. Overall, 457 genes exhibited a significant (FDR-adjusted P-value < 0.05) genotype-by-environment interaction effect, indicating that activity genotype differences in gene expression depend on environmental access to running. Among these genes, network analysis highlighted 6 genes (Nrgn, Drd2, Rxrg, Gda, Adora2a, and Rab40b) connected by their products that displayed opposite expression patterns in the activity genotype contrast within the B and F environments. The comparison of network expression topologies suggests that selection for high voluntary running is linked to a predominant dysregulation of hub genes in the F environment that enables running whereas a dysregulation of ancillary genes is favored in the B environment that blocks running. Genes associated with locomotor regulation, signaling pathways, reward-processing, goal-focused, and reward-dependent behaviors exhibited significant genotype-by-environment interaction (e.g. Pak6, Adora2a, Drd2, and Arhgap8). Neuropeptide genes including Adcyap1, Cck, Sst, Vgf, Npy, Nts, Penk, and Tac2 and related receptor genes also exhibited significant genotype-by-environment interaction. The majority of the 183 differentially expressed genes between activity genotypes (e.g. Drd1) were under-expressed in C relative to H genotypes and were also under-expressed in B relative to F environments. Our findings indicate that the high voluntary running mouse line studied is a helpful model for understanding the molecular mechanisms in the cerebellum that influence locomotor control and reward-dependent behaviors

High spatial resolution and high contrast optical speckle imaging with FASTCAM at the ORM

In this paper, we present an original observational approach, which combines, for the first time, traditional speckle imaging with image post-processing to obtain in the optical domain diffraction-limited images with high contrast (1e-5) within 0.5 to 2 arcseconds around a bright star. The post-processing step is based on wavelet filtering an has analogy with edge enhancement and high-pass filtering. Our I-band on-sky results with the 2.5-m Nordic Telescope (NOT) and the lucky imaging instrument FASTCAM show that we are able to detect L-type brown dwarf companions around a solar-type star with a contrast DI~12 at 2" and with no use of any coronographic capability, which greatly simplifies the instrumental and hardware approach. This object has been detected from the ground in J and H bands so far only with AO-assisted 8-10 m class telescopes (Gemini, Keck), although more recently detected with small-class telescopes in the K band. Discussing the advantage and disadvantage of the optical regime for the detection of faint intrinsic fluxes close to bright stars, we develop some perspectives for other fields, including the study of dense cores in globular clusters. To the best of our knowledge this is the first time that high contrast considerations are included in optical speckle imaging approach.Comment: Proceedings of SPIE conference - Ground-based and Airborne Instrumentation for Astronomy III (Conference 7735), San Diego 201

The Low Redshift survey at Calar Alto (LoRCA)

The Baryon Acoustic Oscillation (BAO) feature in the power spectrum of galaxies provides a standard ruler to measure the accelerated expansion of the Universe. To extract all available information about dark energy, it is necessary to measure a standard ruler in the local, z<0.2, universe where dark energy dominates most the energy density of the Universe. Though the volume available in the local universe is limited, it is just big enough to measure accurately the long 100 Mpc/h wave-mode of the BAO. Using cosmological N-body simulations and approximate methods based on Lagrangian perturbation theory, we construct a suite of a thousand light-cones to evaluate the precision at which one can measure the BAO standard ruler in the local universe. We find that using the most massive galaxies on the full sky (34,000 sq. deg.), i.e. a K(2MASS)<14 magnitude-limited sample, one can measure the BAO scale up to a precision of 4\% and 1.2\% using reconstruction). We also find that such a survey would help to detect the dynamics of dark energy.Therefore, we propose a 3-year long observational project, named the Low Redshift survey at Calar Alto (LoRCA), to observe spectroscopically about 200,000 galaxies in the northern sky to contribute to the construction of aforementioned galaxy sample. The suite of light-cones is made available to the public.Comment: 15 pages. Accepted in MNRAS. Please visit our website: http://lorca-survey.ft.uam.es

Predicting Isoform-Selective Carbonic Anhydrase Inhibitors via Machine Learning and Rationalizing Structural Features Important for Selectivity

Carbonic anhydrases (CAs) catalyze the physiological hydration of carbon dioxide and are among the most intensely studied pharmaceutical target enzymes. A hallmark of CA inhibition is the complexation of the catalytic zinc cation in the active site. Human (h) CA isoforms belonging to different families are implicated in a wide range of diseases and of very high interest for therapeutic intervention. Given the conserved catalytic mechanisms and high similarity of many hCA isoforms, a major challenge for CA-based therapy is achieving inhibitor selectivity for hCA isoforms that are associated with specific pathologies over other widely distributed isoforms such as hCA I or hCA II that are of critical relevance for the integrity of many physiological processes. To address this challenge, we have attempted to predict compounds that are selective for isoform hCA IX, which is a tumor-associated protein and implicated in metastasis, over hCA II on the basis of a carefully curated data set of selective and nonselective inhibitors. Machine learning achieved surprisingly high accuracy in predicting hCA IX-selective inhibitors. The results were further investigated, and compound features determining successful predictions were identified. These features were then studied on the basis of X-ray structures of hCA isoform-inhibitor complexes and found to include substructures that explain compound selectivity. Our findings lend credence to selectivity predictions and indicate that the machine learning models derived herein have considerable potential to aid in the identification of new hCA IX-selective compounds

Large ferroelectric polarization in the new double perovskite NaLaMnWO6_{6} induced by non-polar instabilities

Based on density functional theory calculations and group theoretical analysis, we have studied NaLaMnWO$_{6}$ compound which has been recently synthesized [Phys. Rev. B 79, 224428 (2009)] and belongs to the $AA'BB'{\rm O}_{6}$ family of double perovskites. At low temperature, the structure has monoclinic $P2_{1}$ symmetry, with layered ordering of the Na and La ions and rocksalt ordering of Mn and W ions. The Mn atoms show an antiferromagnetic (AFM) collinear spin ordering, and the compound has been reported as a potential multiferroic. By comparing the low symmetry structure with a parent phase of $P4/nmm$ symmetry, two distortion modes are found dominant. They correspond to MnO$_{6}$ and WO$_{6}$ octahedron \textit{tilt} modes, often found in many simple perovskites. While in the latter these common tilting instabilities yield non-polar phases, in NaLaMnWO$_{6}$ the additional presence of the $A$-$A^{'}$ cation ordering is sufficient to make these rigid unit modes as a source of the ferroelectricity. Through a trilinear coupling with the two unstable tilting modes, a significant polar distortion is induced, although the system has no intrinsic polar instability. The calculated electric polarization resulting from this polar distortion is as large as $\sim$ 16 ${\mu}{\rm C/cm^{2}}$. Despite its secondary character, this polarization is coupled with the dominant tilting modes and its switching is bound to produce the switching of one of two tilts, enhancing in this way a possible interaction with the magnetic ordering. The transformation of common non-polar purely steric instabilities into sources of ferroelectricity through a controlled modification of the parent structure, as done here by the cation ordering, is a phenomenon to be further explored.Comment: Physical Chemistry Chemical physics (in press