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Performance of atrial conduction velocity algorithms with error-prone clinical measurements for the identification of atrial fibrosis

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Computers in Biology and Medicine 2025年 191卷 110119-110119页

作者： Gharaviri, Ali Vigneswaran, Vinush Vickneson, Keeran Roney, Caroline Corrado, Cesare Coveney, Sam Maciunas, Kestutis Bodagh, Neil Klis, Magda Kotadia, Irum Sim, Iain Whitaker, John Bishop, Martin Niederer, Steven O'Neill, Mark Williams, Steven E. Centre for Cardiovascular Science The University of Edinburgh United Kingdom School of Biomedical Engineering and Imaging Sciences King's College London United Kingdom School of Engineering and Materials Science Queen Mary University of London United Kingdom National Heart & Lung Institute - Faculty of Medicine Imperial College London United Kingdom Heart Rhythm Research Brussels Postgraduate Program in Cardiac Electrophysiology and Pacing Vrije Universiteit Brussel Brussels Belgium Heart Rhythm Management Centre Universitair Ziekenhuis Brussel Brussels Belgium Brussels1050 Belgium

Introduction: Measuring conduction velocity, as a direct consequence of fibrosis, may provide a better method to localise fibrotic regions. This study aims to assess established cardiac conduction velocity calculation methods (Triangulation, Polynomial Surface Fitting, and Radial Basis Function) in identifying areas of conduction slowing caused by fibrosis, considering realistic measurement errors. Method: Using a human left atrium computational model, atrial activation was simulated. Each conduction velocity calculation method's performance was evaluated under uncertainties in mapping point density, local activation time assignment and electrode locations by comparing calculated conduction velocity to ground truth conduction velocity derived from high-resolution simulated atrial activation. Results: All methods agreed well with ground truth conduction velocity maps in noise-free, high-density sampling conditions. However, Triangulation and Polynomial Surface Fitting methods showed susceptibility to noise, exhibiting significant errors under moderate to high noise levels. Radial Basis Function method demonstrated greater robustness to noise and reduced sampling density. Fibrotic region identification accuracy was high under ideal conditions for all methods but declined with increasing noise, with the Radial Basis Function method maintaining superior performance. Conclusion: While all methods accurately estimate conduction velocity under ideal conditions, the Radial Basis Function method shows robustness to a realistic clinical noise, hence making it the most suitable to identify fibrotic regions. © 2025

关键词： Triangulation

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Study of doxorubicin release carried out by pH-responsive chitosan-alginate hydrogels

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Journal of Molecular Liquids 2025年 429卷

作者： Oliveira, Thayane Portela da Silva, Jhaemely Gabrielly Vieira Costa, Paloma Maia de Oliveira, Maykol Christian Damasceno Coelho, Ronaldo Cunha Santos Nascimento, Ariane Maria Silva Silva-Filho, Edson Cavalcanti dos Santos, Francisco Eroni Paz Muniz, Edvani Curti Postgraduate Program in Engineering and Materials Science Federal University of Piauí PI Teresina64049550 Brazil Physics Department Federal University of Piauí PI Teresina64049550 Brazil Department of Teacher Training Instituto Federal do Piauí PI Teresina64053-390 Brazil Chemistry Department Federal University of Piauí PI Teresina64049550 Brazil Chemistry Department State University of Maringá PR Maringá87020-900 Brazil

The use of polysaccharides in drug delivery systems has attracted increasing interest due to their functional properties. Among these, alginate (ALG) and chitosan (CH) are promising candidates for sustained drug delivery as they respond to pH, ensuring that the compound is released in a desired area. In this research physical hydrogels based on alginate and chitosan (ALG/CH) were prepared by varying the synthesis parameters (ALG at ALG/CH ratio, pH and speed stirring) and the effects of such parameters on hydrogels’ chemical and physical structure were accessed through several techniques. Also, the effects synthesis parameters on fractional release (Fmax), half time (t1/2) and percentage encapsulation efficiency (EE%), as the evaluated responses, were statically measured using a factorial design. Analysis through Raman and FTIR spectroscopies revealed the modes and bands corresponding to the precursors, confirming the formation of physically cross-linked hydrogels. The porous structure of the materials was confirmed by scanning electron microscopy (SEM). The swelling capacities of the hydrogels were analyzed at different pHs (5.4 and 7.4) and demonstrated that absorption increases in slightly acidic media. TG/DTG and Micro-CT analyzes of the sample with the greatest swelling showed that the degradation of the hydrogel occurs in two endothermic events and that the material possesses several sized and interconnected pores. The doxorubicin (DOX) release study showed that the release rate is higher as the higher proportion of CH relative to ALG. The factorial design analysis indicated the statistically significant factors in the DOX release tests. Thus, the results suggest that ALG/CH hydrogels can be tuned during their preparation to achieve optimal structure for pH-responsive to be applied for DOX releasing system. © 2025 Elsevier B.V.

关键词： Microgels

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Understanding the effect of preparation technique and compaction pressure on the microstructure, sinterability and mechanical properties of the Cu-20 wt% WC composite prepared with recycled WC

Journal of Alloys and Compounds Communications

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Journal of Alloys and Compounds Communications 2025年 6卷

作者： Rafael A. Raimundo Franciné A. Costa Marco A. Morales Daniel A. Macedo Angelus G.P. Silva Uílame U. Gomes Federal University of Paraíba Department of Materials Science and Engineering João Pessoa PB 58051-900 Brazil TEMA – Centre for Mechanical Technology and Automation Department of Mechanical Engineering University of Aveiro Aveiro 3810-193 Portugal Mechanical Engineering Postgraduate Program UFRN Natal 59078-970 Brazil Department of Theoretical and Experimental Physics UFRN Natal 59078-970 Brazil Materials Science and Engineering Postgraduate Program UENF Campos dos Goytacazes 28015-620 Brazil Materials Science and Engineering Postgraduate Program UFRN Natal 59078-970 Brazil

The study investigated the impact of different preparation techniques (Mechanical Mixing - MM and High Energy Milling - HEM) and compaction pressures on the microstructure, sinterability and mechanical properties of the Cu-20 %WC composite using recycled WC. The results indicated that HEM promotes greater homogeneity, dispersion and refinement of the WC phase in copper, resulting in denser and more uniform microstructures after sintering. Although higher pressures increased the density of green compacts, they reduced densification during sintering, especially for powders prepared by MM, due to the segregation of the Cu and WC phases. On the other hand, compacts sintered with HEM powders prsented higher Vickers microhardness and better magnetic properties, attributed to the uniform distribution of WC particles and the increase in the interaction between the phases. Furthermore, the study highlights the influence of metallic impurities (Fe, Co and Ni) on the magnetic properties of the composite materials.

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Reversible Actuation of α-Borophene Nanoscrolls

arXiv

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arXiv 2023年

作者： Fabris, Guilherme S.L. Galvão, D.S. Paupitz, Ricardo Postgraduate Program in Materials Science and Engineering Federal University of Pelotas RS Pelotas96010-610 Brazil Applied Physics Department State University of Campinas SP Campinas13083-970 Brazil Sao Paulo State University - Unesp Physics Department SP Rio ClaroCEP-13506-900 Brazil

In this work, we proposed and investigated the structural and electronic properties of boron-based nanoscrolls (armchair and zigzag) using the DFTB+ method. We also investigated the electroactuation process (injecting and removing charges). A giant electroactuation was observed, but the results show relevant differences between the borophene and carbon nanoscrolls. The molecular dynamics simulations showed that the scrolls are thermally and structurally stable for a large range of temperatures (up to 600K) and the electroactuation process can be easily tuned and can be entirely reversible for some configurations. © 2023, CC BY.

关键词： Molecular dynamics

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Eco-Friendly High Entropy Oxide Rock-Salt Type Structure for Oxygen Evolution Reaction Obtained by Green Synthesis Using Red Seaweed (Rhodophyta)

SSRN

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SSRN 2024年

作者： Santos, Jakeline RAIANE DORA DOS Raimundo, Rafael A. de Oliveira, João F.G.A. Hortencio, Johnnys da S. Loureiro, Francisco J.A. Macedo, Daniel A. Morales, Marco A. Gualandi, Isacco Tonelli, Domenica Gomes, Uílame U. Materials Science and Engineering Postgraduate Program UFRN Natal59078-970 Brazil Department of Industrial Chemistry "Toso Montanari" Industrial Chemistry UNIBO V.le Risorgimento 4 Bologna40136 Italy Department of Theoretical and Experimental Physics Federal University of Rio Grande do Norte UFRN Natal59078-970 Brazil Gleb Wataghin Institute of Physics - R. Sérgio Buarque de Holanda 777 - Cidade Universitária Campinas13083-859 Brazil Department of Chemistry Federal University of Paraíba UFPB João Pessoa58.051-900 Brazil TEMA - Centre for Mechanical Technology and Automation Mechanical Engineering Department University of Aveiro 3810-193 Portugal LASI - Intelligent Systems Associate Laboratory Portugal Materials Science and Engineering Postgraduate Program Federal University of Paraíba UFPB João Pessoa58051-900 Brazil

Global energy consumption increases year after year, causing the depletion of non-renewable sources. According to the International Energy Agency (IEA), global demand for electrical energy is expected to increase by 3.3% in 2024. Therefore, developing new renewable sources is urgent, including new devices for energy storage and conversion, particularly those governed by electrochemical reactions. Water splitting is a clean and sustainable technology capable of facing this issue by producing oxygen and hydrogen from water and electricity. However, a problem related to this technology is the slow kinetics, making it necessary to develop new electrocatalysts with high electrochemical performance. To meet this requirement, this work deals with for the first time a high entropy oxide with rock-salt structure synthesized by a green solgel synthesis using red seaweed (Rhodophyta) as polymerizing agent. Solgel synthesis allows the large-scale production of nanomaterials with high uniformity and dispersion of the chemical elements involved. The literature, which discussed the production of these oxides, reveals that agents harmful to the environment are applied during the synthesis steps, including sodium hydroxide, acetic acid, hexadecyltrimethylammonium bromide, urea, and ammonia. The composition of the high entropy oxide is (Mg0.2 Ni0.2 Co0.2 Cu0.2 Zn0.2 )O, it displays a low overpotential (336 mV vs. RHE at 10 mA cm-2 ), Tafel slope of 68 mV dec-1 , and excellent durability. The electrochemical performance of the high entropy oxide prepared in this work is superior to other electrocatalysts of the same class that were produced using transition metal-based precursors. © 2024, The Authors. All rights reserved.

关键词： Entropy

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Thermo-optical properties of luminescent carbon dots produced from biomass of Orbignya speciosa (babassu coconut)

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Journal of Molecular Liquids 2025年 423卷

作者： Oliveira, Maykol Christian Damasceno Silva, Adriano Almeida Silva-Silva, Tânia Patrícia Silva, Jhaemely Gabrielly Vieira da Silva Júnior, José Ferreira Sanchez, David Bell, Maria José Valenzuela Garcia, Hans Anderson Viana, Bartolomeu Cruz Terrones, Mauricio Costa, Rubens Silva Santos, Francisco Eroni Paz Physics Department Federal University of Piauí PI 64049550 Brazil Postgraduate Program in Engineering and Materials Science Federal University of 64049550 PI Teresina Brazil Department of Physics and Center for 2-Dimensional and Layered Materials The Pennsylvania State University University ParkPA16802 United States Federal University of Juiz de Fora Institute of Exact Sciences Department of Physics University Campus - UFJF/ ICE/ Department of Physics Martelos MG Juiz de Fora36036330 Brazil Federal Institute of Piauí Paranaíba Campus PI Parnaíba64211145 Brazil

Exploring materials with high nonlinearities derived from organic and biological sources has become a significant focus within the scientific community. Among these materials, carbon dots (CDs) synthesized from biomass have emerged as promising candidates due to their sustainable and cost-effective production methods. This study synthesized CDs from Orbignya speciosa (babassu coconut) biomass via a hydrothermal route. UV–visible absorption and Infrared spectrum analysis revealed characteristic bands associated with the formation of dots and the electronic transitions π–π* from aromatic C=C bonds in the CDs’ core and n–π* transitions of surface carboxylate groups, photoluminescence as a function of temperature and lifetime decay measurements show that the photoluminescence mechanisms in these materials due this transitions comes from electronic indirect transitions from primary sources of the core and carbonyl boundings in the surface of the material, additionally, to this the Dynamic Light Scattering (DLS) and Transmission Electronic Microscopy (TEM) give the structural properties of the dots, amorphous and with a large size distribution with a mean size of (21 ± 1) nm. Thermal lens spectroscopy (TLS) was employed to determine the material's thermal diffusivity, reaching a maximum value of 2.03 × 10−7 m2/s as a function of dilution. The Z-scan technique under continuous wave (CW) excitation at 532 nm investigated nonlinear optical properties, yielding a maximum thermal nonlinear refractive index (n2(th)) value of −5.87 × 10−5 esu. Furthermore, the photothermal efficiency of the CDs was quantified at 505 nm, demonstrating a high absorption efficiency of 94.9 %, suggesting their potential application in photothermal therapies. These findings contribute to understanding babassu coconut CDs’ thermo-optical behavior, highlighting their promise for various practical applications, particularly in biomedicine. © 2025 Elsevier B.V.

关键词： Refractive index

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Modelling and Application of Jutes Fiber Reinforced Epoxy Composite in the Development of Wind Blade for Low Intensity Winds

SSRN

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SSRN 2023年

作者： Junio, Raí Felipe Pereira Cardoso, Robson Luis B. Ramos, Roberto Paulo B. Leão Filha, Elza M. Ribeiro, Mauricio M. Candido, Verônica S. Rodrigues, Jean da S. Silva, Douglas Santos Monteiro, Sergio N. Fujiyama, Roberto T. Federal University of Pará—UFPA Engineering of Natural Resources of the Amazon Program Rua Augusto Corrêa 01 PA BelémCEP 66075-110 Brazil Federal Institute of Education Science and Technology of Pará – IFPA Materials Engineering Program Avenida Almirante Barroso 1155 Marco PA BelémCEP 66093-020 Brazil Federal University of Pará - UFPA Postgraduate Program in Industrial Engineering Rua Augusto Corrêa 01 PA BelémCEP 66075-110 Brazil Federal Institute of Education Science and Technology of Pará – IFPA Estrada do Icuí Guajará PA AnanindeuaCEP 67125-000 Brazil Military Institute of Engineering – IME Department of Materials Science Praça General Tibúrcio 80 Praia Vermelha Urca RJ Rio de JaneiroCEP 22290-270 Brazil

Natural fibres show an increasing potential as reinforcement of polymeric composites, representing a promising concurrent to glass and carbon fibres extensively used in the construction of wind turbine blades synthetic fibres recyclability/disposability and high production energy cost have already been discussed in the main turbine producing centres. In particular, the development of wind turbines for low wind speed areas can increase the energy generation potential of regions not originally eligible for the installation of large turbines. This study proposes the evaluation of the use of jute fibre (Corchorus capsularis) reinforced epoxy composite in the construction of S1210 airfoil profile, of a small-scale wind turbine for low wind speed regions, considering the structural parameters, developed incorporating the Classical Laminate Theory (CLT) and Extended Bredt-Batho Shear Flow Theory (EBSFT).In order to raise the elastic properties and enable the use of the failure criteria, the composite blades were characterized according to ASTM standards. The mechanical properties surveyed, together with the elastic parameters of the cross section, torsional stiffness, axial stiffness and flexural rigidity, demonstrated the feasibility of using the jute fiber reinforced epoxy composite in the blade construction, evaluated according to the maximum tension failure criterion. © 2023, The Authors. All rights reserved.

关键词： Laminated composites

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Theoretical insights into the chemical bonding, electronic structure, and spectroscopic properties of the lanarkite Pb2SO5 structure

arXiv

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arXiv 2023年

作者： Fabris, Guilherme S.L. Ferrer, Mateus M. Sambrano, Julio R. Almeida, Cláudio R.R. Paskocimas, Carlos A. La Porta, Felipe A. Graduate Program in Materials Science and Engineering Technological Development Center Universidade Federal de Pelotas RS Pelotas96010-610 Brazil Modeling and Molecular Simulation Group São Paulo State University Bauru São Paulo17033-360 Brazil Department of Materials Engineering Federal University of Rio Grande do Norte RN Natal59078-970 Brazil Postgraduate Program in Science and Engineering of Materials Federal University of Rio Grande do Norte RN Natal59078-970 Brazil Federal University of Technology - Paraná Nanotechnology and Computational Chemistry Laboratory Avenida dos Pioneiros 3131 CEP PR Londrina86036-370 Brazil State University of Londrina Post-Graduation Program in Chemistry Rodovia Celso Garcia Cid 445 km 380 CEP PR Londrina86057-970 Brazil

Lanarkite is a mineral formed by a combination of lead, sulphur, and oxygen atoms arranged in the general chemical formula Pb2SO5 (PSO) that crystallises with monoclinic symmetry (belonging to the C2/m space group, No. 12). This mineral was first discovered in Lanarkshire, Scotland and was named after its location. PSO has a unique structure comprising alternating penta-coordinated lead [PbO5] and tetra-coordinated sulphur [SO4] clusters. This lanarkite-type structure has recently attracted significant scientific interest and has been the focus of the superconducting material research community. However, its chemistry needs to be explored further. This article presents a comprehensive investigation on the chemical bonding, electronic structure, and spectroscopic properties of the lanarkite-type PSO structure from a computational perspective. Thus, different functionals in the DFT (e.g., PBE, PBE0, PBESOL, PBESOL0, BLYP, WC1LYP37, and B3LYP) were assessed to accurately predict their fundamental properties. All the DFT calculations were performed using a triple-zeta valence plus polarisation basis set. Among all the DFT functionals tested in this study, PBE showed the best agreement with the experimental data available in the literature. Our results also reveal that the [PbO5] clusters are formed with three Pb–O bond lengths, with values of about 2.32, 2.59, and 2.84 Å, respectively, while the [SO4] clusters have the same S–O bond length of 1.57 Å. We performed a complete topological analysis of this system to comprehend these structural differences. Additionally, the PSO structure has an indirect band gap energy of 2.9 eV and an effective mass ratio (mℎ∗ /me∗) of about 0.415 (using PBE calculations) which may, in principle, indicate a low recombination of electron-hole pairs in the lanarkite structure. Therefore, we believe that a detailed understanding of their electronic structures, spectroscopic properties as well as their chemical bonding is critically important

关键词： Lead compounds

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Stability and activity of nickel catalysts supported on diatomite for dry reforming of methane: Role of cerium and boron promoters

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Journal of the Energy Institute 2025年 120卷

作者： Azevedo, Amanda L. Melo, Dulce M.A. Silva, Yuri K.R.O. Oliveira, Ângelo A.S. Favacho, Vanessa S.S. Souza, Lalyson M.L.R. Rocha, Amanda R.C.C. Braga, Renata M. Postgraduate Program in Chemistry Federal University of Rio Grande do Norte Natal Brazil Postgraduate Program in Materials Science and Engineering Federal University of Rio Grande do Norte Natal Brazil Postgraduate Program in Petroleum Science and Engineering Federal University of Rio Grande Do Norte Natal Brazil Agricultural School of Jundiaí Federal University of Rio Grande do Norte RN Macaíba Brazil

This study evaluates the activity and stability of nickel-based catalysts supported on diatomite and promoted with 1 or 2 wt% of cerium or boron for the dry reforming of methane (DRM). Diatomite, a naturally abundant and low-cost support, requires no complex synthesis procedures and remains relatively underexplored in DRM applications. Given the economic viability of using this material, the incorporation of promoters such as cerium and boron can enhance its catalytic properties, including resistance to coke formation, thermal stability, and activity at both low and high temperatures, thereby increasing its potential for industrial application. The support composition was analyzed by X-ray fluorescence (XRF), and its morphology was examined using scanning electron microscopy (SEM). The catalysts were characterized by SEM, X-ray diffraction (XRD), nitrogen physisorption, H2 temperature-programmed reduction (H2-TPR), thermogravimetric analysis (TGA), and Raman spectroscopy. The catalytic performance results indicated that cerium addition enhanced CO2 and CH4 conversion, with 2 wt% Ce-promoted catalyst stands out due to its significantly higher conversion rates and lower coke formation, as observed in TGA. The 2 wt% boron-promoted catalyst exhibited greater stability, with significant resistance to coke formation, despite showing lower CH4 conversion. SEM analysis revealed the presence of carbon filaments, particularly in the catalysts without boron, whereas boron-promoted catalysts showed reduced filamentous carbon formation. The activation energies derived from the Arrhenius plot further corroborate these findings, demonstrating that boron-promoted catalysts exhibited satisfactory performance at high temperatures (>800 °C), where the reaction is thermodynamically controlled. In turn, cerium-promoted catalysts achieved superior catalytic performance at ≤ 700 °C and performed similarly to boron-containing catalysts at higher temperatures. Therefore, both promoters impa

关键词： Thermogravimetric analysis

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Estimation of the main air pollutants from different biomasses under combustion atmospheres by artificial neural networks

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Chemosphere 2024年 352卷 141484页

作者： Monteiro, Thalyssa Oliveira Alves, Pedro Augusto Araújo da Silva de Almeida Nava Barradas Filho, Alex Oliveira Villa-Vélez, Harvey Alexander Cruz, Glauber Postgraduate Program in Mechanical Engineering (PPGMEC) Department of Mechanics and Materials Federal Institute of Education Science and Technology of Maranhão (IFMA) Maranhão São Luís Brazil Postgraduate Program in Computer Science and Computational Mathematics (PPG-CCMC) Department of Computer Science University of São Paulo (USP) São Carlos São Paulo Brazil Data Analysis and Artificial Intelligence Laboratory (DARTi) Department of Computational Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil Department of Chemical Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil Processes and Thermal Systems Laboratory (LPSisTer) Department of Mechanical Engineering Federal University of Maranhão (UFMA) Maranhão São Luís Brazil

The production of biofuels to be used as bioenergy under combustion processes generates some gaseous emissions (CO, CO2, NOx, SOx, and other pollutants), affecting living organisms and requiring careful assessments. H... 详细信息

The production of biofuels to be used as bioenergy under combustion processes generates some gaseous emissions (CO, CO₂, NO_x, SO_x, and other pollutants), affecting living organisms and requiring careful assessments. However, obtaining such information experimentally for data evaluation is costly and time-consuming and its in situ obtaining for regional biomasses (e.g., those from Northeast Brazil (NEB) is still a major challenge. This paper reports on the application of artificial neural networks (ANNs) for the prediction of the main air pollutants (CO, CO₂, NO, and SO₂) produced during the direct biomass combustion (N₂/O₂:80/20%) with the use of ultimate analysis (carbon, hydrogen, nitrogen, sulfur, and oxygen). 116 worldwide biomasses were used as input data, which is a relevant alternative to overcome the lack of experimental resources in NEB and obtain such information. Cross-validation was conducted with k-fold to optimize the ANNs and performance was analyzed with the use of statistical errors for accuracy assessments. The results showed an acceptable statistical performance for all architectures of ANNs, with 0.001–12.41% MAPE, 0.001–5.82 mg Nm⁻³ MAE, and 0.03–52.30 mg Nm⁻³ RMSE, highlighting the high precision of the emissions studied. On average, the differences between predicted and real values for CO, CO₂, NO, and SO₂ emissions from NEB biomasses were approximately 0.01%, 10⁻⁶%, 0.14%, and 0.05%, respectively. Pearson coefficient provided consistent results of concentration of the ultimate analysis in relation to the emissions studied and effectiveness of the test set in the developed models. © 2024 Elsevier Ltd

关键词： Brazilian northeastern Environmental statistics Evaluation metrics Gaseous emissions Predictive models Thermoconversion

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