Correlation Redistribution by Causal Horizons

The Minkowski vacuum $|0\rangle_M$, which for an inertial observer is devoid of particles, is treated as a thermal bath by Rindler observers living in a single Rindler wedge, as a result of the discrepancy in the definition of positive frequency between the two classes of observers and a strong entanglement between degrees of freedom in the left and right Rindler wedges. We revisit, in the context of a free scalar Klein-Gordon field, the problem of quantification of the correlations between an inertial observer Alice and left/right Rindler observes Rob/AntiRob. We emphasize the analysis of informational quantities, like the locally accessible and locally inaccessible information, and a closely associated entanglement measure, the entanglement of formation. We conclude that, with respect to the correlation structure probed by inertial observers alone, the introduction of a Rindler observer gives rise to a correlation redistribution which can be quantified by the entanglement of formation.Comment: 9 pages, 7 figure

Computational approaches to shed light on molecular mechanisms in biological processes

Computational approaches based on Molecular Dynamics simulations, Quantum Mechanical methods and 3D Quantitative Structure-Activity Relationships were employed by computational chemistry groups at the University of Milano-Bicocca to study biological processes at the molecular level. The paper reports the methodologies adopted and the results obtained on Aryl hydrocarbon Receptor and homologous PAS proteins mechanisms, the properties of prion protein peptides, the reaction pathway of hydrogenase and peroxidase enzymes and the defibrillogenic activity of tetracyclines. © Springer-Verlag 2007

The Importance of Stereochemically Active Lone Pairs For Influencing Pb II and As III Protein Binding

The toxicity of heavy metals, which is associated with the high affinity of the metals for thiolate rich proteins, constitutes a problem worldwide. However, despite this tremendous toxicity concern, the binding mode of As III and Pb II to proteins is poorly understood. To clarify the requirements for toxic metal binding to metalloregulatory sensor proteins such as As III in ArsR/ArsD and Pb II in PbrR or replacing Zn II in δ‐aminolevulinc acid dehydratase (ALAD), we have employed computational and experimental methods examining the binding of these heavy metals to designed peptide models. The computational results show that the mode of coordination of As III and Pb II is greatly influenced by the steric bulk within the second coordination environment of the metal. The proposed basis of this selectivity is the large size of the ion and, most important, the influence of the stereochemically active lone pair in hemidirected complexes of the metal ion as being crucial. The experimental data show that switching a bulky leucine layer above the metal binding site by a smaller alanine residue enhances the Pb II  binding affinity by a factor of five, thus supporting experimentally the hypothesis of lone pair steric hindrance. These complementary approaches demonstrate the potential importance of a stereochemically active lone pair as a metal recognition mode in proteins and, specifically, how the second coordination sphere environment affects the affinity and selectivity of protein targets by certain toxic ions. Experimental and computational methods have been employed to study the influence of the lone pair of As III and Pb II for the binding of these ions in proteins using designed peptide models. The results show that the mode of coordination of As III and Pb II is greatly influenced by the steric bulk within the second coordination environment of the metals (see figure).Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/90414/1/chem_201102786_sm_miscellaneous_information.pdfhttp://deepblue.lib.umich.edu/bitstream/2027.42/90414/2/2040_ftp.pd

Mass accretion rates of clusters of galaxies: CIRS and HeCS

We use a new spherical accretion recipe tested on N-body simulations to measure the observed mass accretion rate (MAR) of 129 clusters in the Cluster Infall Regions in the Sloan Digital Sky Survey (CIRS) and in the Hectospec Cluster Survey (HeCS). The observed clusters cover the redshift range of $0.01<z<0.30$ and the mass range of $\sim 10^{14}-10^{15} {h^{-1}~\rm{M_\odot}}$. Based on three-dimensional mass profiles of simulated clusters reaching beyond the virial radius, our recipe returns MARs that agree with MARs based on merger trees. We adopt this recipe to estimate the MAR of real clusters based on measurements of the mass profile out to $\sim 3R_{200}$. We use the caustic method to measure the mass profiles to these large radii. We demonstrate the validity of our estimates by applying the same approach to a set of mock redshift surveys of a sample of 2000 simulated clusters with a median mass of $M_{200}= 10^{14} {h^{-1}~\rm{M_{\odot}}}$ as well as a sample of 50 simulated clusters with a median mass of $M_{200}= 10^{15} {h^{-1}~\rm{M_{\odot}}}$: the median MARs based on the caustic mass profiles of the simulated clusters are unbiased and agree within $19\%$ with the median MARs based on the real mass profile of the clusters. The MAR of the CIRS and HeCS clusters increases with the mass and the redshift of the accreting cluster, which is in excellent agreement with the growth of clusters in the $\Lambda$CDM model.Comment: 25 pages, 19 figures, 7 table

A robust ransac-based planet radius estimation for onboard visual based navigation

Individual spacecraft manual navigation by human operators from ground station is expected to be an emerging problem as the number of spacecraft for space exploration increases. Hence, as an attempt to reduce the burden to control multiple spacecraft, future missions will employ smart spacecraft able to navigate and operate autonomously. Recently, image-based optical navigation systems have proved to be promising solutions for inexpensive autonomous navigation. In this paper, we propose a robust image processing pipeline for estimating the center and radius of planets and moons in an image taken by an on-board camera. Our custom image pre-processing pipeline is tailored for resource-constrained applications, as it features a computationally simple processing flow with a limited memory footprint. The core of the proposed pipeline is a best-fitting model based on the RANSAC algorithm that is able to handle images corrupted with Gaussian noise, image distortions, and frame drops. We report processing time, pixel-level error of estimated body center and radius and the effect of noise on estimated body parameters for a dataset of synthetic images

CloudScout: A deep neural network for on-board cloud detection on hyperspectral images

The increasing demand for high-resolution hyperspectral images from nano and microsatellites conflicts with the strict bandwidth constraints for downlink transmission. A possible approach to mitigate this problem consists in reducing the amount of data to transmit to ground through on-board processing of hyperspectral images. In this paper, we propose a custom Convolutional Neural Network (CNN) deployed for a nanosatellite payload to select images eligible for transmission to ground, called CloudScout. The latter is installed on the Hyperscout-2, in the frame of the Phisat-1 ESA mission, which exploits a hyperspectral camera to classify cloud-covered images and clear ones. The images transmitted to ground are those that present less than 70% of cloudiness in a frame. We train and test the network against an extracted dataset from the Sentinel-2 mission, which was appropriately pre-processed to emulate the Hyperscout-2 hyperspectral sensor. On the test set we achieve 92% of accuracy with 1% of False Positives (FP). The Phisat-1 mission will start in 2020 and will operate for about 6 months. It represents the first in-orbit demonstration of Deep Neural Network (DNN) for data processing on the edge. The innovation aspect of our work concerns not only cloud detection but in general low power, low latency, and embedded applications. Our work should enable a new era of edge applications and enhance remote sensing applications directly on-board satellite

Axial Imidazole Distorsion Effects on the Catalytic and Binding Properties of Chelated Deuterohemin Complexes

The effect of strain in the axial coordination of imidazole to the heme has been studied in the chelate complexes deuterohemin-histidine (DH-His) and deuterohemin-alanylhistidine (DH-AlaHis). Molecular mechanics calculations indicate that three types of distortion of the axial ligand occur in DH-His, due to the relatively short length of the arm carrying the donor group: tilting off-axis, tipping, and inclination of the imidazole plane with respect to the axial Fe-N bond. The effects of tilting (¢ç 10°) and inclination of the imidazole ring (¢ä 17°) are dominant, while tipping is small and is probably of little importance here. By contrast, the axial imidazole coordination is normal in DH-AlaHis and other computed deuterohemin-dipeptide or -tripeptide complexes where histidine is the terminal residue, the only exception being DH-ProHis, where the rigidity of the proline ring reduces the flexibility of the chelating arm. The distortion in the axial iron-imidazole bond in DH-His has profound and negative influence on the binding and catalytic properties of this complex compared to DH-AlaHis. The former complex binds more weakly carbon monoxide, in its reduced form, and imidazole, in its oxidized form, than the latter. The catalytic efficiency in peroxidative oxidations is also reduced in DH-His with respect to DH-AlaHis. The activity of the latter complex is similar to that of microperoxidase-11, the peptide fragment incorporating the heme that results from hydrolytic cleavage of cytochrome

Mechanistic Analysis of Nucleophilic Substrates Oxidation by Functional Models of Vanadium-Dependent Haloperoxidases: A Density Functional Theory Study

Density functional theory has been used to investigate the structural, electronic, and reactivity properties of an established functional model for vanadium-dependent haloperoxidases, K[VO(O 2 )Hheida] (Hheida 2– = 2,2′-[(2-hydroxyethyl)imino]diacetate). Possible solution species were determined on the basis of potential exogenous donors present under the conditions necessary for reactivity. The energetically favored solution-state species is a 1:1 complex of Hheida and vanadium with a coordinated hydroxyethyl donor trans to the vanadium–oxido bond which is in agreement with the reported solid-state structure for K[VO(O 2 )Hheida]. Transition states of the oxidation reaction were located for four substrates: chloride, bromide, iodide, and dimethyl sulfide. The role of protonation and its effects on reactivity were examined for each substrate. Protonation of the peroxido moiety leads to a significant drop in the activation barrier for oxidation. In contrast no transition states could be located for an oxido-transfer process involving the oxido ligand. Barriers of activation calculated for halide oxidation were similar, providing support to the hypothesis that the p K a of the halide in acetonitrile is responsible for the decrease in reactivity between I – , Br – , and Cl – . The results presented herein provide a mechanistic correlation between a functional model and the enzyme, making K[VO(O 2 )Hheida] a “complete” functional model for vanadium-dependent haloperoxidase.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/55972/1/515_ftp.pd

Fornecimento de água dentro do comedouro e efeitos no desempenho, carcaça e efluentes da produção de suínos.

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