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Performance of evolutionary optimized machine learning for modeling total organic carbon in core samples of shale gas fields

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Petroleum 2024年第1期10卷 150-164页

作者： leonardo Goliatt C.m.Saporetti L.C.Oliveira E.Pereira Department of Computational and Applied mechanics Federal University of Juiz de Fora Department of Computational modeling Polytechnic Institute Rio de Janeiro State University Petrobras Department of Stratigraphy and Paleontology Rio de Janeiro State University

Rock samples' TOC content is the best indicator of the organic matter in source rocks. The origin rock samples' analysis is used to calculate it manually by specialists. This method requires time and resources because it relies on samples from many well intervals in source rocks. Therefore, research has been done to aid this effort. machine learning algorithms can estimate total organic carbon instead of well logs and stratigraphic studies. In light of these efforts, the current work present a study on automating the total organic carbon estimation using machine learning approaches improved by an evolutionary methodology to give the model flexibility and precision. Genetic algorithms, differential evolution, particle swarm optimization, grey wolf optimization, artificial bee colony, and evolution strategies were used to improve machine learning models to predict TOC. The six metaheuristics were integrated into four machine learning methods: extreme learning machine, elastic net linear model, linear support vector regression, and multivariate adaptive regression splines. Core samples from the YuDong-Nan shale gas field, located in the Sichuan basin, were used to evaluate the hybrid strategy. The findings show that combining machine learning models with an evolutionary algorithms in a hybrid fashion produce flexible models that accurately predict TOC. The results show that, independent of the metaheuristic used to guide the model selection, optimized extreme learning machines attained the best performance scores according to six metrics. Such hybrid models can be used in exploratory geological research,particularly for unconventional oil and gas resources.

关键词： Total organic carbon Hybrid models Automated machine learning Evolutionary algorithms Geology

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Unravelling the ion transport and the interphase properties of a mixed olivine cathode for Na-ion battery

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Journal of Energy Chemistry 2024年第9期96卷 300-317页

作者： Luca minnetti leonardo Sbrascini Antunes Staffolani Vittorio marangon Francesco Nobili Jusef Hassoun School of Sciences and Technologies–Chemistry Division University of CamerinoVia Madonna delle Carceri ChIP62032 CamerinoItaly Current affiliation:University of Bologna Department of Chemistry“Giacomo Ciamician”Via Francesco Selmi 240126 BolognaItaly Graphene Labs Istituto Italiano di Tecnologiavia Morego 30Genoa 16163Italy Department of Chemical Pharmaceutical and Agricultural SciencesUniversity of FerraraVia Fossato di Mortara 1744121 FerraraItaly GISEL−Centro di Riferimento Nazionale per i Sistemi di Accumulo Elettrochimico di Energia INSTMFirenze 50121Italy National Interuniversity Consortium of materials Science and Technology(INSTm)University of Ferrara Research Unit University of FerraraVia Fossato di Mortara1744121 FerraraItaly

The replacement of Li by Na in an analogue battery to the commercial Li-ion one appears a sustainable strategy to overcome the several concerns triggered by the increased demand for the electrochemical energy ***,the apparently simple change of the alkali metal represents a challenging step which requires notable and dedicated ***,we investigate herein the features of a NaFe_(0.6)mn_(0.4)PO_(4)(NFmP)cathode with triphylite structure achieved from the conversion of a LiFe0.6mn0.4PO4(LFmP)olivine for application in Na-ion *** work initially characterizes the structure,morphology and performances in sodium cell of NFmP,achieving a maximum capacity exceeding 100 mAh g^(−1)at a temperature of 55℃,adequate rate capability,and suitable retention confirmed by ex-situ ***,the study compares in parallel key parameters of the NFmP and LFmP such as Na^(+)/Li^(+)ions diffusion,interfacial characteristics,and reaction mechanism in Na/Li cells using various electrochemical *** data reveal that relatively limited modifications of NFmP chemistry,structure and morphology compared to LFmP greatly impact the reaction mechanism,kinetics and electrochemical *** changes are ascribed to the different physical and chemical features of the two compounds,the slower mobility of Na^(+)with respect to Li^(+),and a more resistive electrode/electrolyte interphase of sodium compared with ***,the study reveals analogue trends of the charge transfer resistance and the ion diffusion coefficient in NFmP and LFmP during the electrochemical process in ***,the NFmP achieved herein is suggested as a possible candidate for application in a low-cost,efficient,and environmentally friendly Na-ion battery.

关键词： NaFe_(0.6)mn_(0.4)PO_(4)NFmP Olivine Na-ion lon transport Interphase

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Use of Essential Oils of the Genus Citrus as Biocidal Agents

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American Journal of Plant Sciences 2014年第3期5卷 299-305页

作者： marcos S.Gomes maria das G.Cardoso maurilio JSoares Luís R.Batista Samísia m.F.machado milene A.Andrade Camila m.O.de Azeredo Juliana maria Valério Resende leonardo m.a.rodrigues Department of Chemistry Federal University of LavrasLavrasBrazil Laboratory of Cell Biology Instituto Carlos Chagas/FiocruzCuritibaBrasil Department of Food Science Federal University of LavrasLavrasBrazil Department of Chemistry Federal University of SergipeSao CristóvãoBrazil

In this study, the essential oils extracted from the peels of Citrus aurantifolia, Citrus limon and Citrus sinensis were chemically characterized and quantified. These essential oils and their standards limonene, citral and limonene + citral were evaluated (at concentrations ranging from 500 to 3.91 mL·mL-1) regarding their anti-trypanosome, antifungal and antibacterial activities. The chemical identification and quantification (by GC/FID and GC/mS) displayed the limonene as the major component of the three essential oils. It did not verified anti-trypanosome activity for all treatments. Regarding antimicrobial activity, the results were satisfactory against Gram-negative bacteria (Staphylococcus aureus, Listeria. monocytogenes and Salmonella cholerasuis) and funghi (Aspergillus niger, A. flavus and A. carbonarius), except for the bacterium Pseudomonas aeruginosa, which showed no inhibition for any treatment used.

关键词： Volatile Essential Oil Trypanosoma cruzi Gram-Negative Bactéria Funghi Antimicrobial

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Comparison and Quantification of the Development of Phenolic Compounds during the Aging of Cachaca in Oak(Quercus sp)and Amburana(Amburana cearensis)Barrels

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American Journal of Plant Sciences 2014年第21期5卷 3140-3150页

作者： Wilder D.Santiago maria das G.Cardoso Juliana de A.Santiago marcos S.Gomes leonardo m.a.rodrigues Rafaela m.Brandao Rodolfo R.Cardoso Gabriel B.d’Avila Bruno L.da Silva Alex R.S.Caetano Department of Chemistry Federal University of LavrasLavrasBrazil Department of Food Science Federal University of LavrasLavrasBrazil

Aging is a stage of the cachaça production process in which several chemical reactions occur between compounds extracted from the wood and other compounds present on the beverage. In an attempt to establish a profile regarding the chemical characterization of aged cachaças, phenolic compounds have been studied because of the specific characteristics of each wood species and their known antioxidant properties. This work sought to assess and compare the development of 12 phenolic compounds in cachaças aged in oak (Quercus sp) and amburana (Amburana cearenses) barrels during a period of 12 months. There was a progressive increase in the concentration of phenolic compounds in the beverage for both of the types of wood. The principal compounds encountered in the cachaça aged in oak barrels were gallic acid, syringaldehyde and syringic acid, while vanillic acid, syringaldehyde, sinapic acid and gallic acid were isolated from that aged in amburana barrels.

关键词： Beverage Aging Phenolic Compounds Liquid Chromatography

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Pulsed electromagnetic field stimulation enhances neurite outgrowth in neural cells and modulates inflammation in macrophages

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Engineered Regeneration 2024年第1期5卷 80-91页

作者： Francesco Fontana Andrea Cafarelli Francesco Iacoponi Soria Gasparini Tiziano Pratellesi Abigail NKoppes leonardo Ricotti The BioRobotics Institute Scuola Superiore Sant’Anna56127 PisaItaly Department of Excellence in Robotics&AI Scuola Superiore Sant’Anna56127 PisaItaly BAC Technology s.r.l. 50063 FlorenceItaly Department of Chemical Engineering Northeastern UniversityBostonMA 02115USA Department of Bioengineering Northeastern UniversityBostonMA 02115USA Department of Biology Northeastern UniversityBostonMA 02115USA

Nerve regeneration following traumas remains an unmet *** application of pulsed electromagnetic field(PEmF)stimulation has gained traction for a minimally invasive regeneration of ***,a sys-tematic exploration of different PEmF parameters influencing neuron function at a cellular level is not *** this study,we exposed neuroblastoma F11 cells to PEmF to trigger beneficial effects on neurite *** carrier frequencies,pulse repetition frequencies,and duty cycles were screened with a custom ad hoc setup to find the most influential parameters values.A carrier frequency of 13.5 mHz,a pulse repetition frequency of 20 Hz,and a duty cycle of 10%allowed maximal neurite outgrowth,with unaltered viability with respect to non-stimulated ***,in a longer-term analysis,such optimal conditions were also able to in-crease the gene expression of neuronal expression markers NeuN and Tuj-1 and transcription factor ***,the same optimal stimulation conditions were also applied to THP-1 macrophages,and both pro-inflammatory(TNF-α,IL-1β,IL-6,IL-8)and anti-inflammatory cytokines(IL-10,CD206)were *** optimal PEmF stimulation parameters did not induce differentiation towards an m1 macrophage phenotype,decreased IL-1β and IL-8 gene expression,decreased TNF-α and IL-8 cytokine release in m1-differentiated cells,increased IL-10 and CD206 gene expression,as well as IL-10 cytokine release in m0 *** specific PEmF stimulation regime,which is optimal in vitro,might have a high potential for a future in vivo translation targeting neural regeneration and anti-inflammatory action for treating peripheral nerve injuries.

关键词： Nerve regeneration Biophysical stimulation Pulsed electromagnetic fields(PEmF) Neurite outgrowth Anti-inflammatory Peripheral nerve injuries

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Dendritic spine degeneration:a primary mechanism in the aging process

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Neural Regeneration Research 2025年第6期20卷 1696-1698页

作者： Gonzalo Flores leonardo Aguilar-Hernández Fernado García-Dolores Humberto Nicolini Andrea Judith Vázquez-Hernández Hiram Tendilla-Beltrán Instituto de Fisiología Benemérita Universidad Autónoma de Puebla(BUAP)PueblaMexico Instituto de Ciencias Forenses(INCIFO) Tribunal Superior de Justicia de la Ciudad de México(TSJCDMX).Mexico CityMexico Instituto Nacional de medicina Genómica(INmEGEN) Mexico CityMexico

Recent reports suggest that aging is not solely a physiological process in living beings;instead, it should be considered a pathological process or disease(Amorim et al., 2022). Consequently, this process involves a wide range of factors, spanning from genetic to environmental factors, and even includes the gut microbiome(Gm)(mayer et al., 2022). All these processes coincide at some point in the inflammatory process, oxidative stress, and apoptosis, at different degrees in various organs and systems that constitute a living organism(mayer et al., 2022;AguilarHernández et al., 2023).

关键词： aging process stress

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Solar-driven CO_(2) conversion to methane and methanol using different nanostructured Cu_(2)O-based catalysts modified with Au nanoparticles

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Journal of Energy Chemistry 2024年第4期91卷 287-298页

作者： João Angelo Lima Perini Lilian D.moura Torquato Juliana Fde Brito Gustavo A.Andolpho mateus A.Gonçalves leonardo D.De Angelis Lucas D.Germano Susana I.Córdoba de Torresi Teodorico C.Ramalho maria V.Boldrin Zanoni São Paulo State University(UNESP) Institute of ChemistryRua Prof.Francisco Degni55AraraquaraSP 14800-060Brazil National Institute of Alternative Technologies for Detection Toxicological Evaluation and Removal of Micropollutants and Radioactive Substances(INCT-DATREM)São Paulo State University(UNESP)Institute of ChemistryRua Prof.Francisco Degni55AraraquaraSP 14800-060Brazil Laboratory of molecular modelling Department of ChemistryNatural Sciences InstituteFederal University of LavrasLavrasMG 37200-900Brazil Department of Chemistry Faculty of ScienceUniversity of Hradec KrálovéHradec Králové50003Czech Republic Instituto de Química Universidade de São PauloAv.Prof.Lineu Prestes 74805508-080São PauloSPBrazil

This work describes the use of TiO_(2)nanotubes-based electrodes(TNT)modified with Cu_(2)O nanostructures and gold nanoparticles for the photoelectroreduction of CO_(2)to produce value-added compounds.A thin layer of polydopamine was used as both an adherent agent and an electron transfer mediator,due to itsπ-conjugated electron *** highest production yield was achieved using a TNT@PDA/Nc/Au40%electrode,with Faradaic efficiencies of 47.4%(110.5μm cm^(-2))and 27.8%(50.4μm cm^(-2))for methanol and methane,*** performance of the photoelectrodes was shown to be Cu_(2)O facet-dependent,with cubic structures leading to greater conversion of CO_(2)to methanol(43%)and methane(27%),compared to the octahedral morphology,while a higher percentage of metallic gold on the nanostructured Cu_(2)O surface was mainly important for *** functional theory(DFT)calculations supported these findings,attributing the superior photoelectrocatalytic performance of the TNT@PDA/Nc/Au40%electrode for CH4generation to the formation of an OCH3intermediate bonded to Au *** using isotope-labeling and analysis by gas chromatograph-mass(GC-mS)demonstrated that13CO_(2)was the source for photoelectrocatalytic generation of13CH3OH and13CH313CH2OH.

关键词： Cu_(2)O nanocubes Photoelectrocatalysis Polydopamine CO_(2) photoelectroreduction DFT calculations

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In Silico and in Vitro Analysis of Pyrazolone Derivatives against Zika Virus and Identification of Potential NS5 methyltransferase Inhibitors by molecular Docking

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Journal of Biosciences and medicines 2024年第7期12卷 214-229页

作者： Luciene Soares Silva Tiago Soares Barbosa maria Leonisa Sanchez-Nuñez Aldenise mont Serrat Rosa da Silva Vitor Won-Held Rabelo leonardo dos Santos Corrêa Amorim leonardo Alves miceli Percilene Fazolin Vegi Alice Bernardino Helena Carla Castro Izabel Christina Nunes de Palmer Paixão Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niteri Brazil Science and Biotechnology Graduate Program Department of Cellular and Molecular Biology Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Antibiotics Biochemistry Teaching and Molecular Modeling Institute of Biology Fluminense Federal University Niterói Brazil Laboratory of Organic Chemistry at the Institute of Chemistry Institute of Biology Fluminense Federal University Niterói Brazil

Zika virus (ZIKV), a mosquito-borne flavivirus, has been associated with benign infections for decades. However, it has become a public health concern due to its association with severe fetal and neurological complications. Although many efforts have been made to control ZIKV infection, approved vaccines or antiviral drugs are still lacking. Consequently, the development of new effective anti-ZIKV agents is urgently needed. In this context, we investigated the antiviral potential of pyrazolone derivatives against ZIKV replication using in silico and in vitro methods. The four pyrazolone derivatives evaluated (1a, 1b, 1c, and 1d) inhibited over 50% of ZIKV replication with low cytotoxicity. Among them, compound 1b exhibited the most potent activity (EC50 = 4.3 μm) and the highest selectivity (SI = 342). mechanism of action studies indicated that these compounds act at early stages of virus replication, and compound 1b can also directly inactivate ZIKV particles. molecular docking studies suggested that these compounds can bind to and block the activity of ZIKV NS5 methyltransferase. Finally, pharmacokinetic and toxicological predictions have reinforced the safety and drug-like profiles of these derivatives. In conclusion, the pyrazolone scaffold proved to be valuable for anti-ZIKV drug development, and the derivatives studied deserve further investigation.

关键词： Zika Pyrazolone NS5 methyltransferase Antivirals

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TLBO with variable weights applied to shop scheduling problems

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CAAI Transactions on Intelligence Technology 2019年第3期4卷 148-158页

作者： leonardo Ramos rodrigues Joao Paulo Pordeus Gomes Electronics Division Institute of Aeronautics and SpacePraca Marechal Eduardo Gomes50Sao Josedos Campos 12228-904Brazil Computer Science Department Federal University of CearaRua Campus do PiciSnFortaleza 60440-554Brazil

The teaching–learning-based optimisation (TLBO) algorithm is a population-based metaheuristic inspired on the teaching–learning process observed in a classroom. It has been successfully used in a wide range of applications. In this study, the authors present a variant version of TLBO. In the proposed version, different weights are assigned to students during the student phase, with higher weights being assigned to students with better solutions. Three different approaches to assign weights are investigated. Numerical experiments with benchmark instances of the flow-shop and the job-shop scheduling problems are carried out to investigate the performance of the proposed approaches. They compare the proposed approaches with the original TLBO algorithm and with two variants of TLBOs proposed in the literature in terms of solution quality, convergence speed and simulation time. The results obtained by the application of a Friedman statistical test showed that the proposed approaches outperformed the original version of TLBO in terms of convergence, with no significant losses in the average makespan. The additional simulation time required by the proposed approaches is small. The best performance was achieved with the approach of assigning a fixed weight to half the students with the best solutions and assigning zero to other students.

关键词： TLBO variable weights shop scheduling problems

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Internet of things:Conceptual network structure,main challenges and future directions

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Digital Communications and Networks 2023年第3期9卷 677-687页

作者： leonardo B.Furstenau Yan Pablo Reckziegel rodrigues michele Kremer Sott Pedro Leivas michael S.Dohan José Ricardo López-Robles manuel J.Cobo Nicola Luigi Bragazzi Kim-Kwang Raymond Choo Department of Industrial Engineering Federal University of Rio Grande do SulPorto Alegre 90035-190Brazil University of Santa Cruz do Sul Av.Independencia2293Santa Cruz do SulRSBrazil Business School Unisinos UniversityAv.Dr.Nilo Peçanha 160091330-002Porto AlegreBrazil Lakehead University Thunder BayONP7B 5E1Canada Academic Unit of Accounting and management Autonomous University of ZacatecasCalle Comercio y Administracion S/NFracc.ProgresoC.P.98066ZacatecasZacatecasMexico Department of Computer Science and Artificial Intelligence University of Granada18071 GranadaSpain York University ONM3J 1P3Canada Department of Information Systems and Cyber Security University of Texas at San AntonioSan AntonioTX78249USA

Internet of Things(IoT)is a key technology trend that supports our digitalized society in applications such as smart countries and smart *** this study,we investigate the existing strategic themes,thematic evolution structure,key challenges,and potential research opportunities associated with the *** this study,we conduct a Bibliometric Performance and Network Analysis(BPNA),supplemented by an exhaustive Systematic Literature Review(SLR).Specifically,in BPNA,the software ScimAT is used to analyze 14,385 documents and 30,381 keywords in the Web of Science(WoS)database,which was released between 2002 and *** results reveal that 31 clusters are classified according to their importance and development,and the conceptual structures of key clusters are presented,along with their performance analysis and the relationship with other *** thematic evolution structure describes the important cluster(s)over *** the SLR,23 documents are *** SLR reveals key challenges and limitations associated with the *** expect the results will form the basis of future research and guide decision-making in the IoT and other supporting industries.

关键词： Internet of things Strategic intelligence Industry 4.0 ScimAT Bibliometric analysis Science mapping

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