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International Journal of Modeling, Simulation, and Scientific Computing 2014年第S01期5卷 137-145页

作者： Velachi Vasumathi josé luis Cagide Fajin Maria Natália Dias Soeiro Cordeiro REQUIMTE Department of Chemistry and Biochemistry University of PortoRua do Campo Alegre 6874168-007PortoPortugal

The structures of self-assembled monolayers(SAMs)of short(methyl)and long(hexyl)chain alkyl thiols on the clean gold(111)surface were modeled using for the Au–S interactions either the reactive ReaxFF potential or the well-known nonreactive Morse potential,while for the Au–Au interactions either the ReaxFF potential or an embeddedatom method(EAM).Analysis of the molecular dynamics(MD)trajectories of possible SAM structures suggests that disordering of interfacial Au atoms is definitely driven by the gold–sulphur *** MD results reveal a novel structure where two methanethiol molecules are bound to a gold adatom that has been lifted from the surface at 300 K,and the same kind of RS–Au–SR motif was also observed for hexanethiol at 600 K but not at 300 *** is more,the above motif is only observed for the reactive ReaxFF ***,these results are in clear agreement with recent experiments and more costly first principles-based MD *** findings strongly support the use of reactive potentials such as ReaxFF for gathering an accurate description of Au–S interactions in inexpensive classical MD simulations.

关键词： Reactive potential alkanethiols self-assembled monolayers gold surface MD simulations

An optimized high quality male DNA extraction from spermatophores in open thelycum shrimp species

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Integrative Zoology 2017年第5期12卷 421-427页

作者： Laia PLANELLA Sandra HERAS Manuel VERA josé-luis GARCÍA-MARÍN María Inés ROLDÁN Laboratory of Genetic Ichthyology University of GironaGironaSpain

The crucial step of most of the current genetic studies is the extraction of DNA of sufficient quantity and *** genomic DNA isolation methods have been described to successfully obtain male DNA from shrimp ***,all current protocols require invasive handling methods with males for DNA *** Aristeus antennatus as a model we tested a reliable non-invasive differential DNA extraction method to male DNA isolation from spermatophores attached to female *** present protocol provides high quality and quantity DNA for polymerase chain reaction amplification and male *** new approach could be useful to experimental shrimp culture to select sires with relevant genetic patterns for selective breeding *** importantly,it can be applied to identify the mating pairs and male structure in wild populations of species as ***,where males are often difficult to *** method could be also valuable for biological studies on other spermatophore-using species,such as myriapods,arachnids and insects.

关键词： differential spermatophore DNA extraction high quality DNA male genotyping non-invasive DNA extraction open thelycum shrimp

Balanced nutrient density for broiler chickens using a range of digestible lysine-to-metabolizable energy ratios and nutrient density:Growth performance,nutrient utilisation and apparent metabolizable energy

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Animal Nutrition 2021年第2期7卷 430-439页

作者： Reza Barekatain luis F.Romero joséOtávio B.Sorbara Aaron J.Cowieson South Australian Research and Development Institute Roseworthy CampusRoseworthySA5371Australia School of Animal and Veterinary Sciences Roseworthy CampusUniversity of AdelaideSA5371Australia Animal Nutrition and Health DSM Nutritional ProductsKaiseraugst4303Switzerland

Currently,specific nutrient concentration,metabolizable energy(ME)and digestible amino acids are used as feed formulation criteria.A balanced nutrient density(BND)concept based on 2 criteria of nutrient density and balanced amino acids-to-ME ratio may offer more flexibility in optimisation of profit in formulation of diets compared with current formulation based on set values per unit of feed mass.A total of 672 one-d-old off-sex male Ross 308 broiler chickens were used across two 42-d performance trials in a 3×2 factorial arrangement of treatments with each diet replicated 8 times(14 birds per replicate).The experimental factors were 2 nutrient density levels(low[LD]and high[HD])and 3 digestible lysine-to-ME ratios(DLYS:ME;low,medium,and high).Low density diets had ME of 2,876 and 3,023 kcal/kg for starter and finisher,respectively,while values for HD diets were 3,169 and 3,315 kcal/kg with proportionally higher non-nitrogenated *** digestibility and apparent metaboliz-able energy(AME)assays were conducted at d 21 and *** assays at d 7 were conducted on birds used for performance *** of the diet density,birds fed low DLYS:ME had a lower(P<0.01)feed intake(d 0 to 42)than medium and high DLYS:*** interaction,birds fed low and medium DLYS:ME had a similar body weight gain being the heaviest while birds low DLYS:ME were the *** an interaction(P<0.05),the highest overall FCR value was observed for birds fed LD×low DLYS:ME and improved linearly when DLYS:ME increased to the highest level reaching a limit for birds fed HD×medium DLYS:*** conversion linearly decreased(P<0.001)with increments in DLYS:*** and ileal starch and protein digestibility were affected on d 21 and 42 but not on d 7 of *** the independence of response on BW and feed consumption,the use of BND as a flexible system in diet formulations has the potential to enable more accurate formulation for optimisation of growth performance

关键词： Nutrient density Metabolizable energy Lysine Digestibility Optimisation

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Application of data science in the prediction of solar energy for the Amazon basin:a study case

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Clean Energy 2023年第6期7卷 1344-1355页

作者： Andréluis Ferreira Marques Márcio joséTeixeira Felipe Valencia de Almeida Pedro Luiz Pizzigatti Corrêa Polytechnic School of the University of Sao Paulo Av.Prof.Luciano Gualberto380-ButantaSao Paulo-SP05508-010Brazil Institute of Physics of the University of Sao Paulo Brazil

The need for renewable energy sources has challenged most countries to comply with environmental protection actions and to handle climate *** energy figures as a natural option,despite its *** has a green energy matrix with significant expansion of solar form in recent *** preserve the Amazon basin,the use of solar energy can help communities and cities improve their living standards without new hydroelectric units or even to burn biomass,avoiding harsh environmental *** novelty of this work is using data science with machine-learning tools to predict the solar incidence(W.h/m^(2))in four cities in Amazonas state(north-west Brazil),using data from NASA satellites within the period of ***-tree-based models and vector autoregressive(time-series)models were used with three time aggregations:day,week and *** predictor model can aid in the economic assessment of solar energy in the Amazon basin and the use of satellite data was encouraged by the lack of data from ground *** mean absolute error was selected as the output indicator,with the lowest values obtained close to 0.20,from the adaptive boosting and light gradient boosting algorithms,in the same order of magnitude of similar references.

关键词： solar energy renewable energy Amazon basin machine learning time series data science decision-trees ensemble vector autoregression

Relationships between soil pollution by heavy metals and melanin-dependent coloration of a fossorial amphisbaenian reptile

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Integrative Zoology 2022年第4期17卷 596-607页

作者： joséMARTÍN Pablo RECIO Gonzalo RODRÍGUEZ-RUIZ Isabel BARJA Eduardo GUTIÉRREZ luis VGARCÍA Departamento de Ecología Evolutiva Museo Nacional de Ciencias NaturalesCSICMadridSpain Departamento de Zoología Facultad de BiologíaUniversidad Autónoma de MadridMadridSpain Centro de Investigación en Biodiversidad y Cambio Global(CIBC-UAM) Universidad Autónoma de MadridMadridSpain Departamento de Biogeoquímica Ecología Vegetal y MicrobianaInstituto de Recursos Naturales y Agrobiología de SevillaCSICSevillaSpain

Melanin is the basis of coloration in many animals,and although it is often used in communication,thermoregulation,or camouflage,melanin has many other physiological *** example,in polluted habitats,melanin can have a detoxifying *** coloration would help to sequester in the skin the heavy metal contaminants from inside the body,which will be expelled to the exterior when the skin is ***,animals should have evolved more melanic colorations in more polluted habitats(“industrial melanism”hypothesis).We examined whether the fossorial amphisbaenian reptile,Trogonophis wiegmanni,is able to eliminate heavy metals,derived from soil pollution by seagull depositions,through sloughing its *** results suggest a covariation between levels of soil pollution by heavy metals and the concentration of heavy metals in the sloughed skins of *** suggests that amphisbaenians may expel heavy metals from their bodies when they slough the *** also tested whether amphisbaenians inhabiting soils with higher levels of heavy metal pollution had darker(melanin-dependent)body ***,contrary to predictions from the“industrial melanization”hypothesis,we found a negative relationship between soil pollution and proportions of melanic *** contradictory result could,however,be explained because heavy metals have endocrine disruption effects that increase physiological stress,and higher stress levels could result in decreased *** suggest that although amphisbaenians might have some detoxifying mechanism linked to melanin in the skin,this process might be negatively affected by stress and result ineffective under conditions of high soil pollution.

关键词： amphisbaenians coloration fossorial reptiles heavy metals melanin soil pollution

Synthesis and Characterization of Hydrogels Based on Potato Starch/Poly(vinyl Alcohol)/N,N′-Methylenebisacrylamide

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Journal of Renewable Materials 2022年第8期10卷 2179-2201页

作者： Diego David Pinzón-Moreno Eder Clidio Vicuña-Galindo joséVulfrano González-Fernández joséluis Soto-Gonzales María Verónica Carranza-Oropeza Faculty of Chemistry and Chemical Engineering National University of San MarcosLima15081Peru

Several hydrogels were synthesized by free-radical polymerization in an aqueous medium based on potato starch(PS),poly(vinyl alcohol)(PVA),and N,N′-Methylenebisacrylamide(MBAm),being possible to study these hydrogels as a function of the proportion of components *** this way,the products generated from the synthesis were characterized by swelling and deswelling kinetics,the first swelling being verified with Schott and statistical models,allowing to contrast the proximity between the experimental and theoretical ***,water retention in soil(R%),spectroscopy(FTIR),morphological(SEM),and thermal(TGA and DSC)analysis allowing to know the intrinsic characteristics of the material,increasing in general terms the knowledge of this type of *** this context,it was possible to verify the characteristics and effectiveness of the synthesis and crosslinking of the main *** experimental results obtained show that the synthesized hydrogels present representative swellings consistent with kinetic and statistical models,optimal thermal stability depending on the amount of crosslinker,and excellent water retention in environments such as soil,presenting it as an excellent alternative to be used in agro-industrial applications in an eco-friendly way.

关键词： Hydrogel potato starch polyvinyl alcohol N,N′-Methylenebisacrylamide kinetic swelling and deswelling water retention thermal characterization morphology characterization

Depth of closure:New calculation method based on sediment data

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International Journal of Sediment Research 2018年第2期33卷 198-207页

作者： luis Aragonés jose Ignacio Pagán Isabel López josé C.Serra Department of civil engineering University of Alicante Department of transportation ETSI Caminos Polytechnic University of Valencia

Obtaining depth of closure(DoC) in an accurate manner is a fundamental issue for coastal engineering,since good results for coastal structures and beach nourishment depend mainly on DoC. Currently, there are two methods for obtaining the DoC, mathematical formulations and profile surveys. However, these methods can incur important errors if one does not take into account the characteristics and morphology of the area, or if one does not have a sufficiently long time series. In this work the DoC is obtained from the break in the trend of the sediment with the depth, that is, in general with the increase of the depth a decrease in the size of the sediment takes place. However, at one point this tendency changes and the size increases, and then decreases again. When comparing the point where the minimum sediment size occurs before the increase, it is observed that the error incurred is small compared to other methods. If the Standard Deviation of Depth Change(SDDC) method is considered as the most accurate method, the error incurred by the proposed method is less than 7%. In addition, it can be seen that the dispersion of the sediment method always occurs outside the zone of bar movement. Whereas in the methods of profiles survey(using 2 cm precision profiles), sometimes the DoC is obtained within the active zone of bar movement. In addition, where the relative minimum of the median sediment size is found, and the sizes of 0.063 and 0.125 mm predominate in the composition of the sample. Therefore, this new method allows the precise location of the DoC to be obtained in a fast and simple way. Furthermore, this method has the advantage that it is not affected by the modifications that may be experienced by both the study area and the cross-shore beach profile.

关键词： Depth of Closure Median sediment size Profile surveys Profile change GIS

Evolution of wheat architecture,physiology,and metabolism during domestication and further cultivation:Lessons for crop improvement

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The Crop Journal 2023年第4期11卷 1080-1096页

作者： Arturs Katamadze Omar Vergara-Díaz Estefanía Uberegui Ander Yoldi-Achalandabaso josé luis Araus Rubén Vicente Plant Ecophysiology and Metabolism Group Instituto de Tecnologia Química e Biológica António XavierUniversidade Nova de LisboaP-2780 OeirasPortugal Genetics and Genomics of Plant Complex Traits Instituto de Tecnologia Química e Biológica António XavierUniversidade Nova de LisboaP-2780 OeirasPortugal FisioClimaCO_(2) Group Department of Plant Biology and EcologyFaculty of Science and TechnologyUniversity of the Basque CountryE-48940 LeioaSpain Integrative Crop Ecophysiology Group Section of Plant PhysiologyFaculty of BiologyUniversity of BarcelonaE-08028 Barcelona&AGROTECNIO-CERCA CenterE-25198 LleidaSpain

In recent decades,genetic advances in yield improvement in the major cereal crops,including wheat,has stagnated or proceeded at a slower rate than is required to meet future global food demand,particularly in the face of climate *** reverse this situation,and in view of the future climate scenario,there is a need to increase the genetic diversity of wheat to increase its productivity,quality,stability,and adaptation to local *** abundant genetic resources and literature are a basis for wheat ***,many species,such as wild relatives,landraces,and old cultivars have not been studied beyond their agronomic characteristics,highlighting the lack of understanding of the physiological and metabolic processes(and their integration) associated with higher productivity and resilience in limiting *** studies using wheat ancestors and modern cultivars may identify novel traits that have not previously been considered,or have been underestimated,during domestication and breeding,but that may contribute to future food *** review describes existing wheat genetic diversity and changes that occurred during domestication and breeding,and considers whether mining natural variation among wheat ancestors offers an opportunity to enhance wheat agronomic performance,spike architecture,canopy-and organ-level photosynthetic capacity,and responses to abiotic stress,as well as to develop new wheat hybrids.

关键词： Breeding Landraces Photosynthesis Wild relatives Yield

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Co-Simulation of an SRG Wind Turbine Control and GPRS/EGPRS Wireless Standards in Smart Grids

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IEEE/CAA Journal of Automatica Sinica 2021年第3期8卷 656-663页

作者： Andre Luiz de Oliveira Carlos Eduardo Capovilla Ivan Roberto Santana Casella joséluis Azcue-Puma Alfeu J.Sguarezi Filho University of Sao Paulo Sao Paulo 05508-010Brazil Federal University of ABC Santo Andre 09210-580Brazil

Wind energy can be considered a push-driver factor in the integration of renewable energy sources within the concept of smart *** its full deployment,it requires a modern telecommunication infrastructure for transmitting control signals around the distributed generation,in which,the wireless communication standards stand out for employing modern digital modulation and coding schemes for error correction,in order to guarantee the power plant *** some developing countries,such as Brazil,the high penetration of commercial mobile wireless standards GPRS and EGPRS(based on GSM technology)have captivated the interests of the energy sector,and they now seek to perform remote monitoring and control *** this context,this article presents a comparative performance analysis of a wireless control system for a wind SRG,when a GPRS or EGPRS data service is *** system performance is analyzed by co-simulations,including the wind generator dynamics and the wireless channel *** satisfactory results endorse the viability and robustness of the proposed system.

关键词： General packet radio service(GPRS)/enhanced GPRS(EGPRS) smart grids switched reluctance generator(SRG) wind energy wireless communications

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A tumor-associated heparan sulfate-related glycosaminoglycan promotes the generation of functional regulatory T cells

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Cellular & Molecular Immunology 2023年第12期20卷 1499-1512页

作者： Leticia Martín-Cruz Marcos Viñuela Ioanna Kalograiaki Alba Angelina Paola Oquist-Phillips Irene Real-Arévalo Francisco Javier Cañada joséIgnacio Tudela luis Moltó Jesús Moreno-Sierra joséluis Subiza Oscar Palomares Department of Biochemistry and Molecular Biology School of ChemistryComplutense University of MadridMadridSpain Inmunotek Alcaláde HenaresMadridSpain Fundación Investigación Hospital Clínico San Carlos Martin Lagos s/n28040MadridSpain Centro de Investigaciones Biológicas Margarita Salas CSICRamiro de Maetzu 928040MadridSpain CIBER de Enfermedades Respiratorias(CIBERES)Avda Monforte de Lemos3-528029MadridSpain Servicio de Urología Hospital Clínico San CarlosUniversidad Complutense de MadridMartín Lagos s/n28040MadridSpain

Functional Tregs play a key role in tumor development and progression,representing a major barrier to anticancer *** mechanisms by which Tregs are generated in cancer and the influence of the tumor microenvironment on these processes remain incompletely ***,by using NMR,chemoenzymatic structural assays and a plethora of in vitro and in vivo functional analyses,we demonstrate that the tumoral carbohydrate A10(Ca10),a cell-surface carbohydrate derived from Ehrlich’s tumor(ET)cells,is a heparan sulfate-related proteoglycan that enhances glycolysis and promotes the development of tolerogenic features in human ***10-stimulated human DCs generate highly suppressive Tregs by mechanisms partially dependent on metabolic reprogramming,PD-L1,IL-10,and ***10 also reprograms the differentiation of human monocytes into DCs with tolerogenic *** solid ET-bearing mice,we found positive correlations between Ca10 serum levels,tumor size and splenic Treg *** of isolated Ca10 also increases the proportion of splenic Tregs in tumor-free ***,we provide evidence supporting the presence of a circulating human Ca10 counterpart(Ca10H)and show,for the first time,that serum levels of Ca10H are increased in patients suffering from different cancer types compared to healthy *** note,these levels are higher in prostate cancer patients with bone metastases than in prostate cancer patients without ***,we reveal novel molecular mechanisms by which heparan sulfate-related structures associated with tumor cells promote the generation of functional Tregs in *** discovery of this novel structural-functional relationship may open new avenues of research with important clinical implications in cancer treatment.

关键词： Tumoral carbohydrate A10 Heparan sulfate-related proteoglycan Cancer immunology Dendritic cell Regulatory T cell