Evolution of superconductivity in K2-xFe4+ySe5: Spectroscopic studies of X-ray absorption and emission.

This study investigates the evolution of superconductivity in K2-xFe4+ySe5 using temperature-dependent X-ray absorption and resonant inelastic X-ray scattering techniques. Magnetization measurements show that polycrystalline superconducting (SC) K1.9Fe4.2Se5 has a critical temperature (T c) of ∼31 K with a varying superconducting volume fraction, which strongly depends on its synthesis temperature. An increase in Fe-structural/vacancy disorder in SC samples with more Fe atoms occupying vacant 4d sites is found to be closely related to the decrease in the spin magnetic moment of Fe. Moreover, the nearest-neighbor Fe-Se bond length in SC samples exceeds that in the non-SC (NS) sample, K2Fe4Se5, which indicates a weaker hybridization between the Fe 3d and Se 4p states in SC samples. These results clearly demonstrate the correlations among the local electronic and atomic structures and the magnetic properties of K2-xFe4+ySe5 superconductors, providing deeper insight into the electron pairing mechanisms of superconductivity

Substrate co-doping modulates electronic metal-support interactions and significantly enhances single-atom catalysis

Transitional metal nanoparticles or atoms deposited on appropriate substrates can lead to highly economical, efficient, and selective catalysis. One of the greatest challenges is to control the electronic metal–support interactions (EMSI) between the supported metal atoms and the substrate so as to optimize their catalytic performance. Here, from first-principles calculations, we show that an otherwise inactive Pd single adatom on TiO2(110) can be tuned into a highly effective catalyst, e.g. for O2 adsorption and CO oxidation, by purposefully selected metal–nonmetal co-dopant pairs in the substrate. Such an effect is proved here to result unambiguously from a significantly enhanced EMSI. A nearly linear correlation is noted between the strength of the EMSI and the activation of the adsorbed O2 molecule, as well as the energy barrier for CO oxidation. Particularly, the enhanced EMSI shifts the frontier orbital of the deposited Pd atom upward and largely enhances the hybridization and charge transfer between the O2 molecule and the Pd atom. Upon co-doping, the activation barrier for CO oxidation on the Pd monomer is also reduced to a level comparable to that on the Pd dimer which was experimentally reported to be highly efficient for CO oxidation. The present findings provide new insights into the understanding of the EMSI in heterogeneous catalysis and can open new avenues to design and fabricate cost-effective single-atom-sized and/or nanometer-sized catalysts

Balson: Bayesian least squares optimization with nonnegative L1-Norm constraint

© 2018 IEEE. A Bayesian approach termed the BAyesian Least Squares Optimization with Nonnegative L1-norm constraint (BALSON) is proposed. The error distribution of data fitting is described by Gaussian likelihood. The parameter distribution is assumed to be a Dirichlet distribution. With the Bayes rule, searching for the optimal parameters is equivalent to finding the mode of the posterior distribution. In order to explicitly characterize the nonnegative L1-norm constraint of the parameters, we further approximate the true posterior distribution by a Dirichlet distribution. We estimate the moments of the approximated Dirichlet posterior distribution by sampling methods. Four sampling methods have been introduced and implemented. With the estimated posterior distributions, the original parameters can be effectively reconstructed in polynomial fitting problems, and the BALSON framework is found to perform better than conventional methods

Optimization of fermentation medium for nisin production from Lactococcus lactis subsp. lactis using response surface methodology (RSM) combined with artificial neural network-genetic algorithm (ANN-GA)

Nisin is a bacteriocin approved in more than 50 countries as a safe natural food preservative. Response surface methodology (RSM) combined with artificial neural network-genetic algorithm (ANN-GA) was employed to optimize the fermentation medium for nisin production. Plackett-Burman design (PBD) was used for identifying the significant components in the fermentation medium. After that, the path of steepest ascent method (PSA) was employed to approach their optimal concentrations. Sequentially, Box-Behnken design experiments were implemented for further optimization. RSM combined with ANNGA were used for analysis of data. Specially, a RSM model was used for determining the individual effect and mutual interaction effect of tested variables on nisin titer (NT), an ANN model was used for NT prediction, and GA was employed to search for the optimum solutions based on the ANN model. As the optimal medium obtained by ANN-GA was located at the verge of the test region, a further Box- Behnken design based on the RSM statistical analysis results was implemented. ANN-GA was implemented using the further Box-Behnken design data to locate the optimum solution which was as follow (g/l): Glucose (GLU) 15.92, peptone (PEP) 30.57, yeast extraction powder (YEP) 39.07, NaCl 5.25, KH2PO4 10.00, and MgSO4·7H2O 0.20, with expected NT of 22216 IU/ml. The validation experiments with the optimum solution were implemented in triplicate and the average NT was 21423 IU/ml, which was 2.13 times higher than that without ANN-GA methods and 8.34 times higher than that without optimization.Key words: Response surface methodology, artificial neural network, genetic algorithm, nisin titer

Listen to genes : dealing with microarray data in the frequency domain

Background: We present a novel and systematic approach to analyze temporal microarray data. The approach includes normalization, clustering and network analysis of genes. Methodology: Genes are normalized using an error model based uniform normalization method aimed at identifying and estimating the sources of variations. The model minimizes the correlation among error terms across replicates. The normalized gene expressions are then clustered in terms of their power spectrum density. The method of complex Granger causality is introduced to reveal interactions between sets of genes. Complex Granger causality along with partial Granger causality is applied in both time and frequency domains to selected as well as all the genes to reveal the interesting networks of interactions. The approach is successfully applied to Arabidopsis leaf microarray data generated from 31,000 genes observed over 22 time points over 22 days. Three circuits: a circadian gene circuit, an ethylene circuit and a new global circuit showing a hierarchical structure to determine the initiators of leaf senescence are analyzed in detail. Conclusions: We use a totally data-driven approach to form biological hypothesis. Clustering using the power-spectrum analysis helps us identify genes of potential interest. Their dynamics can be captured accurately in the time and frequency domain using the methods of complex and partial Granger causality. With the rise in availability of temporal microarray data, such methods can be useful tools in uncovering the hidden biological interactions. We show our method in a step by step manner with help of toy models as well as a real biological dataset. We also analyse three distinct gene circuits of potential interest to Arabidopsis researchers

Tai Chi for Chronic Pain Conditions: A Systematic Review and Meta-analysis of Randomized Controlled Trials

Several studies reported that Tai Chi showed potential effects for chronic pain, but its role remains controversial. This review assessed the evidence regarding the effects of Tai Chi for chronic pain conditions. 18 randomized controlled trials were included in our review. The aggregated results have indicated that Tai Chi showed positive evidence on immediate relief of chronic pain from osteoarthritis (standardized mean difference [SMD],-0.54; 95% confidence intervals [CI],-0.77 to-0.30; P < 0.05). The valid duration of Tai Chi practice for osteoarthritis may be more than 5 weeks. And there were some beneficial evidences regarding the effects of Tai Chi on immediate relief of chronic pain from low back pain (SMD,-0.81; 95% CI,-1.11 to-0.52; P < 0.05) and osteoporosis (SMD,-0.83; 95% CI,-1.37 to-0.28; P = 0.003). Therefore, clinicians may consider Tai Chi as a viable complementary and alternative medicine for chronic pain conditions

Solving integral equations in η→3π\eta\to 3\pi

A dispersive analysis of $\eta\to 3\pi$ decays has been performed in the past by many authors. The numerical analysis of the pertinent integral equations is hampered by two technical difficulties: i) The angular averages of the amplitudes need to be performed along a complicated path in the complex plane. ii) The averaged amplitudes develop singularities along the path of integration in the dispersive representation of the full amplitudes. It is a delicate affair to handle these singularities properly, and independent checks of the obtained solutions are demanding and time consuming. In the present article, we propose a solution method that avoids these difficulties. It is based on a simple deformation of the path of integration in the dispersive representation (not in the angular average). Numerical solutions are then obtained rather straightforwardly. We expect that the method also works for $\omega\to 3\pi$.Comment: 11 pages, 10 Figures. Version accepted for publication in EPJC. The ancillary files contain an updated set of fundamental solutions. The numerical differences to the former set are tiny, see the READMEv2 file for detail

Synthetic and Real Inputs for Tool Segmentation in Robotic Surgery

Semantic tool segmentation in surgical videos is important for surgical scene understanding and computer-assisted interventions as well as for the development of robotic automation. The problem is challenging because different illumination conditions, bleeding, smoke and occlusions can reduce algorithm robustness. At present labelled data for training deep learning models is still lacking for semantic surgical instrument segmentation and in this paper we show that it may be possible to use robot kinematic data coupled with laparoscopic images to alleviate the labelling problem. We propose a new deep learning based model for parallel processing of both laparoscopic and simulation images for robust segmentation of surgical tools. Due to the lack of laparoscopic frames annotated with both segmentation ground truth and kinematic information a new custom dataset was generated using the da Vinci Research Kit (dVRK) and is made available