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Understanding Chemical Reactivity in Extended Systems：Exploring Models of Chemical Softness in Carbon Nanotubes

物理化学学报 2018年第6期34卷 631-638页

作者： CáRDENAS Carlos munoz macarena CONTRERAS Julia AYERS Paul W. GóMEZ Tatiana FUENTEALBA Patricio Departamento de Flsica Facultad de Ciencias Universidad de Chile Casilla 653 Santiago Chile Centro para el Desarrollo de la Nanociencias y Nanotecnologia CEDENNA Avenida Ecuador 3493 Santiago Chile Nucleo de Matematicas Fisica y Estad

Chemical reactivity towards electron transfer is captured by the Fukui ***,this is not well defined when the system or its ions have degenerate or pseudo-degenerate ground *** such a case,the first-order chemical response is not independent of the perturbation and the correct response has to be computed using the mathematical formalism of perturbation theory for degenerate ***-degeneracy is ubiquitous in nanostructures with high symmetry and totally extended *** the size of these systems,using degenerate-state perturbation theory is impractical because it requires the calculation of many excited *** we present an alternative to compute the chemical response of extended systems using models of local softness in terms of the local density of *** local softness is approximately equal to the density of states at the Fermi ***,such approximation leaves out the contribution of inner *** order to include and weight the contribution of the states around the Fermi level,a model inspired by the long-range behavior of the local softness is *** wall capped carbon nanotubes(SWCCNT) illustrate the limitation of the frontier orbital theory in extended ***,we have used a C360 SWCCNT to test the proposed model and how it compares with available models based on the local density of ***,a simple Hü ckel approximation captures the main features of chemical response of these *** results suggest that density-of-states models of the softness along simple tight binding Hamiltonians could be used to explore the chemical reactivity of more complex system,such a surfaces and nanoparticles.

关键词： Local softness Fukui function Reactivity Carbon nanotubes Density of states

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乱局中的亚马逊

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商业周刊（中文版） 2020年第4期 20-21页

作者： oMatt Day Daniele Lepido Helene Fouquet macarena munoz Montijano Spencer Soper 杜然(译) 不详

虽然新冠肺炎疫情让世界各地越来越多的城市除了超市和药房之外的一切纷纷关门,亚马逊(***)—度给人基本还是老样子的感觉,购物者仍然可以在两天内收到大部分的商品。但情况正在发生变化。2020年3月17日,亚马逊通知卖家,至少在4月5日之... 详细信息

虽然新冠肺炎疫情让世界各地越来越多的城市除了超市和药房之外的一切纷纷关门,亚马逊(***)—度给人基本还是老样子的感觉,购物者仍然可以在两天内收到大部分的商品。但情况正在发生变化。2020年3月17日,亚马逊通知卖家,至少在4月5日之前,将优先供应医疗用品和家庭必需品等需求量大的商品,并且停止所有非必需品的采购,以满足对基本物资的需求。

关键词：优先供应购物者 Amazon 医疗用品亚马逊 .com 卖家超市

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Inflammasome links traumatic brain injury, chronic traumatic encephalopathy, and Alzheimer's disease

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Neural Regeneration Research 2025年第6期20卷 1644-1664页

作者： Gabriela Seplovich Yazan Bouchi Juan Pablo de Rivero Vaccari Jennifer C.munoz Pareja Andrew Reisner Laura Blackwell Yehia Mechref Kevin K.Wang J.Adrian Tyndall Binu Tharakan Firas Kobeissy Department of Surgery Morehouse School of MedicineAtlantaGAUSA Department of Neurobiology Center for NeurotraumaMultiomics&Biomarkers(CNMB)Neuroscience InstituteMorehouse School of MedicineAtlantaGAUSA Department of Neurological Surgery and the Miami Project to Cure Paralysis University of Miami Miller School of MedicineMiamiFLUSA Division of Pediatric Critical Care Department of PediatricsUniversity of Miami Miller School of MedicineMiamiFLUSA Department of Pediatrics Emory UniversityAtlantaGAUSA Department of Neurosurgery Children’s Healthcare of AtlantaAtlantaGAUSA Department of Chemistry and Biochemistry Texas Tech UniversityLubbockTXUSA Morehouse School of Medicine AtlantaGAUSA

Traumatic brain injury, chronic traumatic encephalopathy, and Alzheimer's disease are three distinct neurological disorders that share common pathophysiological mechanisms involving neuroinflammation. One sequela of neuroinflammation includes the pathologic hyperphosphorylation of tau protein, an endogenous microtubule-associated protein that protects the integrity of neuronal cytoskeletons. Tau hyperphosphorylation results in protein misfolding and subsequent accumulation of tau tangles forming neurotoxic aggregates. These misfolded proteins are characteristic of traumatic brain injury, chronic traumatic encephalopathy, and Alzheimer's disease and can lead to downstream neuroinflammatory processes, including assembly and activation of the inflammasome complex. Inflammasomes refer to a family of multimeric protein units that, upon activation, release a cascade of signaling molecules resulting in caspase-induced cell death and inflammation mediated by the release of interleukin-1β cytokine. One specific inflammasome, the NOD-like receptor protein 3, has been proposed to be a key regulator of tau phosphorylation where it has been shown that prolonged NOD-like receptor protein 3 activation acts as a causal factor in pathological tau accumulation and spreading. This review begins by describing the epidemiology and pathophysiology of traumatic brain injury, chronic traumatic encephalopathy, and Alzheimer's disease. Next, we highlight neuroinflammation as an overriding theme and discuss the role of the NOD-like receptor protein 3 inflammasome in the formation of tau deposits and how such tauopathic entities spread throughout the brain. We then propose a novel framework linking traumatic brain injury, chronic traumatic encephalopathy, and Alzheimer's disease as inflammasomedependent pathologies that exist along a temporal continuum. Finally, we discuss potential therapeutic targets that may intercept this pathway and ultimately minimize long-term neurological decline.

关键词： Alzheimer's disease caspase-1 chronic traumatic encephalopathy inflammasomes neurodegeneration neuroinflammation NLRP1 NLRP3 pyroptosis tauopathy traumatic brain injury

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Specimen aspect ratio and progressive field strain development of sandstone under uniaxial compression by three-dimensional digital image correlation

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Journal of Rock Mechanics and Geotechnical Engineering 2017年第4期9卷 599-610页

作者： H. munoz A. Taheri Deep Exploration Technologies Cooperative Research Centre (DET CRC) Export Park Adelaide Airport Adelaide SA 5950 Australia School of Civil Environmental & Mining Engineering The University of Adelaide Adelaide SA 5005 Australia

The complete stress-strain characteristics of sandstone specimens were investigated in a series of quasistatic monotonic uniaxial compression *** patterns development during pre-and post-peak behaviours in specimens with different aspect ratios was also *** stress,post-peak portion of stress-strain,brittleness,characteristics of progressive localisation and field strain patterns development were affected at different extents by specimen aspect *** patterns of the rocks were obtained by applying three-dimensional(3D) digital image correlation(DIC) *** conventional strain measurement using strain gauges attached to specimen,3D DIC allowed not only measuring large strains,but more importantly,mapping the development of field strain throughout the compression test,*** pre-and post-peak *** strain development in the surface of rock specimen suggests that strain starts localising progressively and develops at a lower rate in pre-peak ***,in post-peak regime,strains increase at different rates as local deformations take place at different extents in the vicinity and outside the localised *** extent of localised strains together with the rate of strain localisation is associated with the increase in rate of strength *** localisation and local inelastic unloading outside the localised zone both feature post-peak regime.

关键词： Uniaxial compression test Aspect ratio Strain patterns Digital image correlation(DIC)

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Deformation and localisation behaviours of reinforced gravelly backfill using shaking table tests

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Journal of Rock Mechanics and Geotechnical Engineering 2020年第1期12卷 102-111页

作者： H.munoz T.Kiyota Institute of Industnial Science The University of TokyoTokyoJapan

To understand the deformational behaviours of geosynthetics-reinforced soil retaining walls(GRS RWs),a series of plane-strain shaking table tests was conducted on retaining wall *** backfill of the models was made of poorly graded *** and strains in the gravelly backfill induced by seismic loading are recorded in real time,which are of importance to understand the seismic strength and stability of the GRS RW systems,as strain localisation development in the backfill and foundation is related to the degree of strength degradation of the *** the present study,we aimed at quantifying the induced deformations of the GRS RW models due to *** image correlation(DIC)technique was then employed to analyse and provide full-field deformation and motion images with the *** is demonstrated that,unlike conventional contact devices that are yet limited to provide quantities of a singular and fixed location,DIC provides deformation and motion of the area of interests to reveal the evolution of localisation.

关键词： Geosynthetic-reinforced soil(GRS) Retaining wall(RW)model Shaking table test Digital image correlation(DIC) Localisation

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Assessing conservation practices in Amalacaxco Gorge (Izta-Popo National Park, Central Mexico) using fallout 137Cs and Optically Stimulated Luminescence (OSL)

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Journal of Mountain Science 2018年第3期15卷 447-460页

作者： munoz-SALINAS E CASTILLO M Departamento de Geología Regional Universidad Nacional Autónoma de México Ciudad UniversitariaCiudad de MexicoMexico Laboratorio Nacional de Geoquimicay Mineralogia Ciudad Universitaria Ciudad de Mexico Mexico

This study aims to assess conservation practices in Izta-Popo National Park(Central Mexico) by evaluating the mechanisms of sediment transfer. We applied a methodology based on fallout ^(137)Cs and optically stimulated luminescence(OSL) analysis. This was tested in the upper catchment of Amalacaxco Gorge, selected for being one of the sectors of the park in which man-made actions have been implemented in last decades to favor forest growth in the alpine grassland and to reduce the effect of water runoff. We quantified the ^(137)Cs activity using gamma and beta spectrometry of fine sediment grains extracted from the surface of parcels of 0.4 m2 in areas of natural forest, natural alpine grassland, alpine grassland with conservation practices, ravines and trails. In general, ^(137)Cs values increases as local slope decreases as it was expected. The natural forest is the most stable area in terms of soil erosion and sediment accumulation and, mean ^(137)Cs activity was taken as reference to assess cumulative zones, with higher ^(137)Cs values and erosive, with lower. We found that trails are accumulative surfaces but in other areas, erosion predominates. Man-made ditches, trenches and afforestation in the alpine grassland have higher ^(137)Cs values than thenatural grassland, which indicates that conservation practices are limiting the sediment transfer from hillslopes to channels, however, soil retention is less than in the natural grassland. Additionally, we evaluated the luminescence(OSL) values obtained from samples extracted from the sediment transported in ravines that are cutting into different sectors of the study area to assess the grade of resetting of fluvial materials. These luminescence results indicated that the sediment transported in ravines that are cutting into the natural forest and alpine grassland is bleached more efficiently than the sediment transported in the alpine grassland with conservation practices. Results of fallout ^(137)Cs and luminesce

关键词： Sediment transfer Soil erosion Natural protected areas Alpine grassland Caesium-137 Optically stimulated luminescence

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ESTIMATING CROSS-TRAINING CALL CENTER CAPACITY THROUGH SIMULATION

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Journal of Systems Science and Systems Engineering 2016年第4期25卷 448-468页

作者： David A. munoz Nathaniel D. Bastian Department of Industrial and Manufacturing Engineering The Pennsylvania State University

Call centers have grown world-wide during the past decade. One of the most important aspects considered by call center managers is the optimization of its operators, which implies covering the highly variable demand and f＇mding an efficient way to assign people to certain shifts in order to achieve a desirable service level and abandonment rate. Another challenge is determining which system setup is appropriate for the specific call center. Should we have a single-skill call center or multi-skill call center？ If we do have the latter, how many multi-skill agents should we have on staff？. In this case study, we generate and analyze discrete-event systems simulation-optimization models to test the behavior of a real-world call center under the actual configuration and under different levels of cross-training. The model results help call center managers by： 1） determining the optimal number of operators needed for different staff configtmations in order to achieve the targets for service level and abandonment; 2） providing information about the trade-off between the key measurements in the call center; and 3） providing useful information about the number of operators needed and used for each hour of operation to estimate the number of four-hour shifts required to achieve the performance targets. Our experimental f＇mdings from this case study suggest that a bi-skill call center is economically better in the long-rtm compared to a full-skill or single-skill call center. This case study augments the call center body of knowledge by providing additional managerial insights for the operations management community.

关键词： Call centers cross-training discrete-event systems simulation simulation optimization service operations service systems

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Field report:Sailing around the exhumed roots of the Mesozoic Patagonian paleo-accretionary wedge(Diego de Almagro Island,Chile)

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Geoscience Frontiers 2018年第5期9卷 1591-1594页

作者： Samuel Angiboust Jesus munoz Institut de Physique du Globe de Paris Sorbonne Paris CitéUniversity Paris DiderotCNRSF-75005ParisFrance GFZ German Research Centre for Geosciences D-14473PotsdamGermany Carrera de Geología Universidad Andres BelloSazie2119SantiagoChile

We undertook a boat expedition to explore the geological framework of a very remote, lesser-known island, in the Chilean Patagonia: the Diego de Almagro Island(latitude S51°330'). This uninhabited, ca.400 km^2 Island is one of the very rare exposures of the Mesozoic accretionary subduction complex along the Chilean margin. Unstable weather, strong winds, steep topography, and very dense vegetation make an on-land mission difficult. Careful preparation based on high-resolution satellite images is advised to optimize shore access and minimize risks of injury. Despite a relatively important degree of regional reequilibration of metamorphic assemblages due to sluggish exhumation through the forearc crust, our results have shown that the island is composed of a nappe stack of ocean-floor derived slivers of metasedimentary units that exhibit very different pressure-temperature-time paths during burial by subduction under the Chilean margin and subsequent exhumation. These rocks are witness to a complex thermal evolution of the subduction zone between Jurassic and Cretaceous times from granulite facies to blueschist facies conditions as well as multiple episodes of accretion at ca. 35 -40 km in depth for almost100 Ma over the Mesozoic era.

关键词： Patagonia Accretionary wedge Blueschists Subduction Chile

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A novel botnet attack detection for IoT networks based on communication graphs

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Cybersecurity 2024年第4期7卷 19-35页

作者： David Concejal munoz Antonio del-Corte Valiente Inetum Espana S.A. C/Maria de Portugal9-11Building 128050 MadridSpain Department of Computer Engineering Polytechnic SchoolUniversity of AlcalaMadrid-Barcelona Road Km 33.6.Alcala de Henares28871 MadridSpain

Intrusion detection systems have been proposed for the detection of botnet *** types of centralized or distributed cloud-based machine learning and deep learning models have been ***,the emergence of the Internet of Things(loT)has brought about a huge increase in connected devices,necessitating a different *** this paper,we propose to perform detection on IoT-edge *** suggested architecture includes an anomaly intrusion detection system in the application layer of IoT-edge devices,arranged in software-defined ***-edge devices request information from the software-defined networks controller about their own behaviour in the *** behaviour is represented by communication graphs and is novel for IoT *** representation better characterizes the behaviour of the device than the traditional analysis of network traffc,with a lower volume of *** attack scenarios are simulated with the IoT-23 *** results show that attacks are detected with high accuracy using a deep learning model with low device memory requirements and significant storage reduction for training.

关键词： Autoencoders Communication graphs Cyberattacks Internet of Things

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A realistic topological p-n junction at the Bi2Se3 （0001） surface based on planar twin boundary defects

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Nano Research 2017年第5期10卷 1784-1793页

作者： Hugo Aramberri M. Carmen munoz Jorge I. Cerda Instituto de Ciencia de Materiales de Madrid (ICMM-CSIC) Cantoblanco Madrid 28049 Spain

We propose a realistic topological p-n junction （TPNJ） by matching two Bi2Se3 （0001） slabs with opposite arrangements of planar twin boundary defects. The atomistic modeling of such a device leads to dislocation defects in the hexagonal lattice in several quintuple layers. Nevertheless, total energy calculations reveal that the interface relaxes, yielding a smooth geometrical transition that preserves the nearest-neighbors fcc-type geometry throughout these defect layers. The electronic, magnetic, and transport properties of the junction have then been calculated at the ab initio level under open boundary conditions, i.e., employing a thin-film geometry that is infinite along the electron transport direction. Indeed, a p-n junction is obtained with a built-in potential as large as 350 meV. The calculations further reveal the spin texture across the interface with unprecedented detail. As the main result, we obtain non-negligible transmission probabilities around the F point, which involve an electron spin-flip process while crossing the interface.

关键词： topological insulators p-n junctions spintronics electronic devices twin boundaries

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