Professor Amauri Jardim

@article{Cala2024,

title = {Predictive Modeling of Surface Tension in Chemical Compounds: Uncovering Crucial Features with Machine Learning},

author = {Paula Cala and Guilherme Dariani and Eduardo Veiga and Pedro Macedo and Amauri J. Paula and James M. de Almeida},

doi = {10.21577/0103-5053.20240110},

issn = {1678-4790},

year  = {2024},

date = {2024-07-01},

urldate = {2024-00-00},

journal = {J. Braz. Chem. Soc.},

publisher = {Sociedade Brasileira de Quimica (SBQ)},

abstract = {Surface tension (SFT) can shape the behavior of liquids in industrial chemical processes, influencing variables such as flow rate and separation efficiency. This property is commonly measured with experimental approaches such as Du Noüy ring and Wilhelmy plate methods. Here, we present machine learning (ML) methodologies that can predict the SFT of hydrocarbons. A comparative analysis encompassing k-nearest neighbors, random forest, and XGBoost (extreme gradient boosting) methods was done. Results from our study reveal that XGBoost is the most accurate in predicting hydrocarbon SFT, with a mean squared error (MSE) of 4.65 mN2  m-2  and a coefficient of determination (R2 ) score of 0.89. The feature importance was evaluated with the permutation feature importance method and Shapley analysis. Enthalpy of vaporization, density, molecular weight and hydrogen content are key factors in accurately predicting SFT. The successful integration of these methodologies holds the potential to impact efficiency in different industry processes.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Azevedo2024,

title = {Biocorona Formation and Hemolytic Effects of Graphene Oxide-Silver Nanoparticles},

author = {Nathalia Azevedo and Aline de Medeiros and Gabriela da Silva and Milena Brito and João Faria and Fabrício Delite and 	Amauri J. Paula and Diego Martinez},

url = {https://www.scielo.br/j/jbchs/a/XSh5gSKKXdf6t3qc99RdBxp/?lang=en},

doi = {10.21577/0103-5053.20240148},

issn = {1678-4790},

year  = {2024},

date = {2024-00-00},

urldate = {2024-00-00},

journal = {J. Braz. Chem. Soc.},

publisher = {Sociedade Brasileira de Quimica (SBQ)},

abstract = {The graphene oxide (GO)-silver nanoparticles (AgNPs) hybrid material (GO-AgNPs) has garnered significant interest due to its ability to combine the unique properties of GO and AgNPs, showing promise applications in biomedicine, nanocomposites, biosensors, and antimicrobial materials. However, further investigation is needed to understand the nanobio-interactions and toxicity of GO-AgNPs nanohybrid. Assessing the toxicity of GO-AgNPs on red blood cells (hemolysis) and its interactions with blood biomolecules (biocorona formation) is mandatory for biomedical applications and safety evaluation of this material. In this work, we investigate the biocorona formation associated with GO-AgNPs after interaction with human plasma and hemolysate biomolecules linked to its hemolytic effects. Both GO and GO-AgNPs exhibited a dose-dependent hemolytic effect, with GO-AgNPs showing three times greater hemolysis than GO. Nonetheless, biocorona formation fully mitigated the hemolytic effect of both materials, however, morphological damages in red blood cells may occur yet. Our findings show that biocorona formation dramatically changes the surface chemistry, colloidal behavior and toxicity of this hybrid material. Finally, this work contributes to understanding how graphene-silver nanoparticles interact with blood components to design strategies to minimize toxicity risks and enhance their applications in biomedicine and nanobiotechnology.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{FREGOLENTE2023166835,

title = {Effects of chemical aging on carbonaceous materials: Stability of water-dispersible colloids and their influence on the aggregation of natural-soil colloid},

author = {Laís G. Fregolente and Maria T. Rodrigues and Naiara C. Oliveira and Bruno Sousa Araújo and Ícaro V. Nascimento and Antonio G. Souza Filho and Amauri J. Paula and Mirian C. G. Costa and Jaedson C. A. Mota and Odair P. Ferreira},

url = {https://www.sciencedirect.com/science/article/pii/S0048969723054608},

doi = {https://doi.org/10.1016/j.scitotenv.2023.166835},

issn = {0048-9697},

year  = {2023},

date = {2023-01-01},

journal = {Science of The Total Environment},

volume = {903},

pages = {166835},

abstract = {Although hydrochar and biochar have been used as soil conditioners, there is not a clear understanding of how their properties changes due to aging impacts their colloidal particles behavior on the soil system. From this premise, we produced hydrochar and biochar from the same feedstock (cashew bagasse) and aged with different chemical methods: (i) using hydrogen peroxide, (ii) a mixture of nitric and sulfuric acids, and (iii) hot water. It was analyzed the effects of aging on the stability of the carbonaceous materials (CMs) colloids in aqueous medium with different ionic strength (single systems), as well as the stability of the natural-soil colloid when interacting with biochar and hydrochar colloids (binary systems). A chemical composition (C, H, N, and O content) change in CMs due to the chemically induced aging was observed along with minor structural modifications. Chemical aging could increase the amount of oxygen functional groups for both biochar and hydrochar, though in a different level depending on the methodology applied. In this sense, hydrochar was more susceptive to chemical oxidation than biochar. The effectiveness of chemical aging treatments for biochar increased in the order of water < acid < hydrogen peroxide, whereas for hydrochar the order was water < hydrogen peroxide < acid. While the increase in surface oxidation improved the biochar colloidal stability in water medium at different ionic strengths (single systems), the stability and critical coagulation concentration (CCC) slightly changed for hydrochar. Natural-soil clay (NSC) interactions with oxidized carbonaceous material colloids (binary systems) enhanced NSC stability, which is less likely to aggregate. Therefore, the aging of carbonaceous materials modifies the interaction and dynamics of soil small particles, requiring far more attention to the environmental risks due to their application over time.},

keywords = {Aggregation, Biochar, Hydrochar, Hydrothermal carbonization, Oxidation, Pyrolysis},

pubstate = {published},

tppubtype = {article}

}