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Guidelines for rational design of high-performance absorbents:A case study of zeolite adsorbents for emerging pollutants in water

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Green Energy & Environment 2017年第4期2卷 363-369页

作者： Xiaoxuan Wei Ya Wang Arturo J.hernndez-Maldonado Zhongfang Chen Department of Chemistry Institute for Functional Nanomaterials University of Puerto Rico Rio Piedras Campus Department of Chemical Engineering Institute for Functional Nanomaterials University of Puerto Rico Mayagüez Campus

Rational design is important to achieve high-performance sorbents used to remove the contaminants of emerging concern(CECs) from ***, it is hard to propose effective design guidelines due to the lack of a clear understanding of the interaction mechanisms. By means of systematic quantum chemical computations, as a case study, we investigated the interactions between zeolite X/M^(n+)-zeolite X(Si/Al=1,M^(n+)=Cu^(2+) and Ni^(2+)) and three commonly used CECs(namely salicylic acid, carbamazepine and ciprofloxacin) in water to clarify the adsorption mechanisms. Our computations found that anionic salicylic acid cannot be adsorbed by neither zeolite X nor M^(n+)-zeolite X in neutral water due to the high electrostatic repulsion. In comparison, carbamazepine and ciprofloxacin have favorable binding energies with both zeolite X and M^(n+)-zeolite X, and their interactions with M^(n+)-zeolite X are stronger due to the joint effects of H-bond, metal complexation and electrostatic interaction. The adsorption loading of ciprofloxacin, which has a large molecular size, on M^(n+)-zeolite X is limited due to the steric hindrance. In general, steric hindrance, electrostatic interaction, H-bond and metal complexation are dominant factors for the examined systems in this study. Thus, for the design of high-performance absorbing materials, we should fully consider the molecular properties of pollutants(molecular size, surface electrostatic potential and atomic type, etc.), and properly enhance the favorable effects and avoid the unfavorable factors as much as possible under the guidance of the interaction mechanisms.

关键词： Adsorption mechanism Adsorbent design guidelines Quantum chemical computations Contaminants of emerging concern Zeolite X

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Measurement and analysis of soil nitrogen and organic matter content using near-infrared spectroscopy techniques

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Journal of Zhejiang University-Science B(Biomedicine & Biotechnology) 2005年第11期6卷 1081-1086页

作者：何勇宋海燕 PEREIRA Annia García GóMEZ Antihus hernández School of Biosystems Engineering and food Science Zhejiang University

Near infrared reflectance （N1R） spectroscopy is as a rapid, convenient and simple nondestructive technique useful for quantifying several soil properties. This method was used to estimate nitrogen （N） and organic matter （OM） content in a soil of Zhejiang Province, Hangzhou County. A total of 125 soil samples were taken from the field. Ninety-five samples spectra were used during the calibration and cross validation stage. Thirty samples spectra were used to predict N and OM concentration. NIR spectra of these samples were correlated using partial least square regression. The regression coefficients between measured and predicted values of N and OM was 0.92 and 0.93, and SEP （standard error of prediction） were 3.28 and 0.06, respectively, which showed that NIR method had potential to accurately predict these constituents in this soil. The results showed that NIR spectroscopy could be a good tool for precision farming application.

关键词： NIR spectroscopy Partial least square Precision farming Soil spatial variability Nitrogen Organic matter

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Semileptonic bc to cc and bb to bc baryon decays and heavy quark spin symmetry

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Chinese Physics C 2010年第9期34卷 1364-1367页

作者： J.Nieves J.M.flynn E.hernández Instituto de física corpuscular (IfIC) Centro Mixto Universidad de Valencia-CSICInstitutos de Investigación de Paterna School of Physics and Astronomy University of Southampton Departamento de física fundamental e IUffyM Universidad de Salamanca

We study the semileptonic decays of the lowest-lying bc baryons to the lowest-lying cc baryons （Ξ （＊） bc → Ξ （＊） cc and Ω （＊） bc → Ω （＊） cc ）,in the limit m b,m c Λ QCD and close to the zero recoil *** separate heavy quark spin symmetries make it possible to describe all these decays using a single form *** also show how these constraints can be used to test the validity of different quark model *** to bc baryon decays are also discussed.

关键词： heavy quark spin symmetry semileptonic decays constituent quark modelsIf

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Structural studies of BaTiO_3:Er^(3+) and BaTiO_3:Yb^(3+) powders synthesized by hydrothermal method

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Journal of Rare Earths 2014年第11期32卷 1016-1021页

作者： Garrido-hernández A García-Murillo A Carrillo-Romo f de J Cruz-Santiago L A Chadeyron G Morales-Ramírez A de J Velumani S T.A. Post-graduate Student. Instituto Politécnico Nacional CIITEC IPN Cerrada de Cecati S/N. Col. Santa Catarina Azcapotzalco México D.F. C.P. 02250 México D.F México Instituto Politécnico Nacional CIITEC IPN Cerrada de Cecati S/N. Col. Santa Catarina Azcapotzalco México D.F. C.P. 02250 México D.F Departament of Engineering Materials Tecnológico de Estudios Superiores de Coacalco (TESCo) Av. 16 de Septiembre # 54 Cabecera Municipal C.P. 55700 Coacalco de Berriozábal Estado de México Institut de Chimie de Clermont-ferrand UMR 6296 CNRS / UBP / ENSCCF 24 avenue des Landais BP 80026 63171 Aubière Cedex – France Department of Electrical Engineering (SEES) Centro de Investigación y de Estudios Avanzados del IPN Av. Instituto Politécnico Nacional 2508 Col. San Pedro Zacatenco C.P. 07360 Mexico D.F. Mexico

Erbium and ytterbium doped barium titanate nanopowders were prepared using the hydrothermal method. A barium titanate structure doped with rare earth ions manifested new characteristics and improved the field of application of optical devices such as trichromatic tubes, LCD displays, lamps, and infrared lasers. In this work, BaTiO3：Er3＋ and BaTiO3：Yb3＋ were prepared using barium chloride [BaCl2], titanium butoxide [C16H36O4Ti], erbium chloride [ErCl3] and ytterbium chloride [YbCl3] as precursors. Anhydrous methanol was employed as a solvent. Metallic potassium was used to promote solubility in the system and increase the pH to 13. This method yielded the formation of a predominantly cubic structure in both Er3＋ and Yb3＋ doped BaTiO3 powders. Characteristic bondings of BaTiO3 were observed with fT-IR spectroscopy. The predominantly cubic structure was confirmed by X-ray diffraction and micro-Raman analyses. The particle size（～30 nm） was estimated using the Scherrer equation and X-ray diffraction data. The results were presented and discussed.

关键词： nanopowders hydrothermal BaTiO3:Er3+ BaTiO3:Yb3+ rare earths

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Can Radiomic features Boost the Performance of Deep Learning upon Histology Images?

Can Radiomic Features Boost the Performance of Deep Learning...

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作者： MAR hern(?)ndez OBIOLS 上海交通大学

学位级别：硕士

Radiomics,as a promising technique for feature extraction,can capture a wealth of information from multi-modal medical images through highthroughput feature *** confers the advantage of interpretability that deep learning（DL）features do not have,and that’s the reason why it’s widely being used in computer-aided systems to provide additional expert *** this paper,we try to explore whether the different nature of radiomics features,compared to DL features,can provide complementary information for a DL diagnosis system and thus boost its performance.A DL framework successfully used for cancer histology image classification works as the baseline to mirror the influence brought by importing radiomics features as complementary information to the DL *** result shows that the system owning complementary information given by radiomics features performs better compared with the system purely using DL features.

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Bacterial and archaeal communities in saline soils from a Los Negritos geothermal area in Mexico

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Pedosphere 2023年第2期33卷 312-320页

作者： Joseph GUEVARA-LUNA Mario hernÁndez-GUZMÁN Nina MONTOYA-CIRIACO Luc DENDOOVEN Marina Olivia fRANCO-hernÁndez Paulina ESTRADA-DE LOS SANTOS María Soledad VÁSQUEZ-MURRIETA Escuela Nacional de Ciencias Biológicas Instituto Politécnico NacionalCiudad de México 11340(Mexico) Laboratory of Soil Ecology CinvestavMexico City 07360(Mexico) Centro Tlaxcala de Biología de la Conducta Universidad Autónoma de Tlaxcala.Carretera Federal Tlaxcala-Puebla km.1.5Tlaxcala 90070(Mexico) Unidad Profesional Interdisciplinaria de Biotecnología Instituto Politécnico NacionalCiudad de México 07340(Mexico)

In recent years,there has been a growing need to understand how salinity affects microbial communities in agricultural *** and bacterial community diversities and structures were investigated by high-throughput sequencing analysis of their 16S rRNA in two arable soils with low electrical conductivity(EC)(2.3 and 2.6 dS m^(-1))and a saline soil(EC=17.6 dS m^(-1)).The dominant bacterial phyla in the soils were Proteobacteria(relative abundance(RA)=46.2%),followed by Acidobacteria(RA=13.1%)and Actinobacteria(RA=10.0%),whereas Serratia(RA=6.0%)and Bacillus(RA=4.0%)were the dominant bacterial *** Nitrososphaera(53.5%)was the dominant archaeal phylotype in the arable soils,whereas Nitrosopumilus(RA=0.4%)dominated in the saline *** archaeal and bacterial community structures were different between the soils and significantly correlated with soil sand,arsenic,barium,and antimony contents,but not with soil salinity.

关键词： agricultural soil compositional approach microbial community mud volcano soil salinity soluble anion

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Optical coherence tomography angiography features in a case of hydroxychloroquine retinopathy

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International Journal of Ophthalmology(English edition) 2023年第2期16卷 325-327页

作者： Lidia Remolí-Sargues Clara Monferrer-Adsuara María Luisa hernández-Garfella Laura hernández-Bel Verónica Castro-Navarro Javier Montero-hernández Catalina Navarro-Palop Enrique Cervera-Taulet Department of Ophthalmology Hospital General Universitario of ValenciaValencia 46014Spain

Dear Editor,Hydroxychloroquine(HCQ)is a drug widely used in the treatment of autoimmune diseases and oncologic disorders,and was even used during a brief period of time for the therapy of COVID-19 disease[1].HCQ retinopathy has a prevalence ranging from 4.3%to 13.8%.However,for a patient with a normal screening examination the risk of developing HCQ retinopathy is very low[2].The American Academy of Ophthalmology recommended visual field(Vf)and optical coherence tomography(OCT)for the screening,whereas the Royal College of Ophthalmologists advised the use of OCT and fundus autofluorescence(fAf)[2-3].

关键词： retinopathy Ophthal diseases

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Learning to bag with a simulation‐free reinforcement learning framework for robots

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IET Cyber-Systems and Robotics 2024年第2期6卷 52-66页

作者： francisco Munguia-Galeano Jihong Zhu Juan David hernández Ze Ji Cooper Group University of LiverpoolLiverpoolUK School of Physics Engineering and Technology University of YorkYorkUK School of Computer Science and Informatics Cardiff UniversityCardiffUK School of Engineering Cardiff UniversityCardiffUK

Bagging is an essential skill that humans perform in their daily ***,deformable objects,such as bags,are complex for robots to manipulate.A learning-based framework that enables robots to learn bagging is *** novelty of this framework is its ability to learn and perform bagging without relying on *** learning process is accomplished through a reinforcement learning(RL)algorithm introduced and designed to find the best grasping points of the bag based on a set of compact state *** framework utilises a set of primitive actions and represents the task in five *** our experiments,the framework reached 60% and 80% success rates after around 3 h of training in the real world when starting the bagging task from folded and unfolded states,***,the authors test the trained RL model with eight more bags of different sizes to evaluate its generalisability.

关键词： reinforcement learning robot learning robotics

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Software Project Management Approaches for Global Software Development： A Systematic Mapping Study

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Tsinghua Science and Technology 2018年第6期23卷 690-714页

作者： Manal El Bajta Ali Idri Joaquín Nicolás Ros José Luis fernández-Alemán Juan Manuel Carrillo de Gea félix García Ambrosio Toval Software Project Management Research Team Ecole Nationale SuperieuredInformatique et d'Analyse des Systemes (ENSIAS)Mohammed V University Rabat 713 Morocco Department of Informaticay Sistemas University of Murcia Murcia 30100 Spain ALARCOS Research GroupDepartment of Information Systems and Technologies University of Castilla-La Mancha (UCLM) Ciudad Real13071 Spain

Global Software Development （GSD） is a well established field of software engineering with the benefits of a global environment. Software Project Management （SPM） plays a key role in the success of GSD. As a result, the need has arisen to study and evaluate the downsides of SPM for GSD, to thereby pave the way for the development of new methods, techniques, and tools with which to tackle them. This paper aims to identify and classify research on SPM approaches for GSD that are available in the literature, to identify their current weaknesses and strengths, and to analyze their applications in industry. We performed a Systematic Mapping Study （SMS） based on six classification criteria. Eighty-four papers were selected and analyzed. The results indicate that interest in SPM for GSD has been increasing since 2006. As a class of approaches, the most frequently reported methods （40%） are those used for coordination, planning, and monitoring, along with estimation techniques that can be used to better match a distributed project. SPM for GSD requires further investigation by researchers and practitioners, particularly with respect to cost and time estimations. These findings will help overcome the challenges that must to be considered in future SPM research for GSD, especially regarding collaboration and time-zone differences.

关键词： Software Project Management (SPM) Global Software Development (GSD) SPM approaches Systematic Mapping Study (SMS)

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A 3D Numerical Study of LO_2/GH_2 Supercritical Combustion in the ONERA-Mascotte Test-rig Configuration

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Journal of Thermal Science 2016年第1期25卷 97-108页

作者： Abdelkrim Benmansour Abdelkrim Liazid Pierre-Olivier Logerais Jean-félix Durastanti Laboratory LTE ENP-OranBP 1523 El Mnaouer 31000Oran Algeria Universite de Paris-Est CERTESIUT de Senartrue Georges Charpak77567 LieusaintFrance

Cryogenic propellants LOx/H2 are used at very high pressure in rocket engine combustion. The description of the combustion process in such application is very complex due essentially to the supercritical regime. Ideal gas law becomes invalid. In order to try to capture the average characteristics of this combustion process, numerical computations are performed using a model based on a one-phase multi-component approach. Such work requires fluid properties and a correct definition of the mixture behavior generally described by cubic equations of state with appropriated thermodynamic relations validated against the NIST data. In this study we consider an alternative way to get the effect of real gas by testing the volume-weighted-mixing-law with association of the component transport properties using directly the NIST library data fitting including the supercritical regime range. The numerical simulations are carried out using 3D RANS approach associated with two tested turbulence models, the standard k-Epsilon model and the realizable k-Epsilon one. The combustion model is also associated with two chemical reaction mechanisms. The first one is a one-step generic chemical reaction and the second one is a two-step chemical reaction. The obtained results like temperature profiles, recirculation zones, visible flame lengths and distributions of OH species are discussed.

关键词： Rocket engine non-premixed combustion supercritical regime H2-O2 flame transport properties

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