Antimicrobial and Cytotoxic Potential of Eucalyptus Essential Oil-Based Nanoemulsions for Mouthwashes Application.

Objective: An eucalyptus essential oil-based nanoemulsion was produced and evaluated for its antimicrobial properties against Streptococcus mutans and its cytotoxicity in the surface mucous cells of rabbits. Methods: The essential oil-based nanoemulsion was synthesized with two species of eucalyptus-Eucalyptus citriodora and Eucalyptus globulus-followed by physicochemical characterization and the determination of antimicrobial activity and cell viability. Subsequently, the mouthwash formulations (fluoride and fluoride-free) were functionalized with the nanoemulsion, and their in vitro antimicrobial actions were evaluated against S. mutans. Results: The nanoemulsion presented an average particle size of around 100 nm, a polydispersity index close to 0.3, a zeta potential between -19 and -30 mV, a pH close to 7, a spherical shape, and a cell viability above 50%. The antimicrobial activity analysis showed that the nanoemulsion was effective in the control of S. mutans. The mouthwashes functionalized with the nanoemulsion also presented bacteriostatic and bactericidal properties. Conclusions: The bio-based material produced with eucalyptus essential oil presented adequate physicochemical characteristics, with the potential to be used as an innovative material in preventive dentistry, contributing to the maintenance of oral and systemic health.

Treatment and ecotoxicity assessment of wastewater containing organic pollutants using a new CoFe2O4/biochar photocatalyst composite.

This is the first record on literature to use biochar as support for CoFe2O4 to applicate and evaluate it as photocatalyst for degradation of organic pollutants. The support was verified by XRD, FT-IR, SEM, EDS and band gap. Composites CFO1BQ3, CFO1BQ1, and CFO3BQ1 showed 100% degradation in 60 min. This outstanding performance can be related to the drop in band gap energy and recombination rate of e¯/h + . The composites showed better efficiency when compared to pure CoFe2O4 (∼78%). This might be associate to the fact that biochar has a high concentration of phenolic, hydroxyl and carboxylic functional groups on its surface. In this reaction h+, O2•-, and •OH were the reactive species involved in the degradation. The toxicity of ponceau was tested before and after the treatment, through biochemical biomarkers in Danio rerio fish. In general, the treatment proved to be efficient in reducing ponceau toxicity in D. rerio fish.

Adsorptive features of cyclohexane carboxylic naphthenic acid on a novel cross-linked polymer developed from spent coffee grounds.

Naphthenic acids (NA) are organic compounds commonly found in crude oil and produced water, known for their recalcitrance and toxicity. This study introduces a new adsorbent, a polymer derived from spent coffee grounds (SCGs), through a straightforward cross-linking method for removing cyclohexane carboxylic acid as representative NA. The adsorption kinetics followed a pseudo-second-order model for the data (0.007 g min-1 mg-1), while the equilibrium data fitted the Sips model ( q m = 140.55 mg g-1). The process's thermodynamics indicated that the target NA's adsorption was spontaneous and exothermic. The localized sterical and energetic aspects were investigated through statistical physical modeling, which corroborated that the adsorption occurred indeed in monolayer, as suggested by the Sips model, but revealed the contribution of two energies per site ( n 1 ; n 2 ). The number of molecules adsorbed per site ( n ) was highly influenced by the temperature as n 1 decreased with increasing temperature and n 2 increased. These results were experimentally demonstrated within the pH range between 4 and 6, where both C6H11COO-(aq.) and C6H11COOH(aq.) species coexisted and were adsorbed by different energy sites. The polymer produced was naturally porous and amorphous, with a low surface area of 20 to 30 m2 g-1 that presented more energetically accessible sites than other adsorbents with much higher surface areas. Thus, this study shows that the relation between surface area and high adsorption efficiency depends on the compatibility between the energetic states of the receptor sites, the speciation of the adsorbate molecules, and the temperature range studied.

Morphological, sterical, and localized thermodynamics in the adsorption of CO2 by activated biocarbon from the white rot fungi Trametes gibbosa.

The capture of CO2 by biochar has recently become one of the cornerstones of circular economy models for a sustainable society. In this work, we synthesized an activated biocarbon using Trametes gibbosa (BioACTG) in a one-step synthesis. We investigated CO2 adsorption mechanisms under five different temperatures using a statistical physics approach. The data was better represented by the multilayer model with two distinguished energies, providing more accurate values for the estimated parameters. According to the number of carbon dioxide molecules per site (n) and the densities of the receptor sites (Dzif), the tendency to form a second layer increased as the temperature increased. The adsorption of CO2 on BioACTG was exothermic (the values of Qasat = 15.5 mmol/g at 273 K decrease to 10.5 mmol/g at 353 K), and the temperature influenced CO2 as well as the morphological features of the process. A computational approach was used to investigate the electronic properties of the adsorbate, showing that its lowest unoccupied orbital (LUMO) heavily contributed to the high efficiency of the process which was ruled by pore diffusion mechanisms driven by energetic fluctuations. Other molecules present in CO2-rich mixtures were also investigated, showing that their concentration limited their competitiveness with CO2.

Remediation through the coordinated use of local rice husk residues for the selective adsorption of iron and nickel in real landfill leachate.

Herein, we demonstrate the prospects of tackling several environmental problems by transforming a local rice husk residue into an effective adsorbent, which was then applied for the treatment of real landfill leachate (LL). The study focused on establishing (i) the effect of simple washing on morphological aspects, (ii) evaluating target adsorption capacity for total iron (Fe) and nickel (Ni), (iii) determining regeneration and reuse potential of the adsorbent and (iv) complying to the requirements of worldwide legislations for reuse of treated LL wastewater. The adsorbent was prepared by employing a simple yet effective purification process that can be performed in situ. The LL was collected post-membrane treatment, and the characterizations revealed high concentrations of Fe, Ni, and organic matter content. The simple washing affected the crystallinity, resulting in structural alterations of the adsorbents, also increasing the porosity and specific surface. The adsorption process for Ni occurred naturally at pH 6, but adjusting the pH to 3 significantly improved removal efficiency and adsorption capacity for total Fe. The kinetics were accurately described by the pseudo-second-order model, while the Langmuir model provided a better fit for the isotherms. The adsorbent was stable for 5 reuses, and the metals adsorbed were recovered through basic leaching. The removal capacities achieved underscore the remarkable effectiveness of the process, ensuring the treated LL wastewater meets rigorous global environmental legislations for safe use in irrigation. Thus, by employing the compelling methods herein optimized it is possible to refer to the of solving three environmental problems at once.

Neodymium adsorption from aqueous solution by ß-cyclodextrin nanosponges and a polymer valorized from potato peels waste: experiments and conventional and statistical physics interpretations.

Using organic waste and residue streams to be turned into valuable and greener materials for various applications has proven an efficient and suitable strategy. In this work, two green materials (nanosponges and a polymer) were synthesized using potato peels and applied for the first time to adsorb and recover Neodymium (Nd3+) from aqueous solutions. The recovery of Nd3+ that belongs to the rare earth elements has attracted important interest due to its/their importance in several industrial and technological applications. The fine potato peel waste (FPPW) polymer presented an irregular shape and porous surface. At the same time, the ß-cyclodextrin (ß-CD) nanosponges had uniform distribution with regular and smooth shapes. ß-CD nanosponges exhibited a much higher total carboxyl content (4.02 mmol g-1) than FPPW (2.50 mmol g-1), which could impact the Nd3+ adsorption performance because carboxyl groups can interact with cations. The adsorption capacity increased with the increase of the pH, reaching its maximum at pHs 6-7 for ß-CD nanosponges and 4-7 for FPPW polymer. The kinetic and equilibrium data were well-fitted by General order and Liu models. ß-CD nanosponges attained adsorption capacity near 100 mg Nd per gram of adsorbent. Thermodynamic and statistical physical results corroborated that the adsorption mechanism was due to electrostatic interaction/complexation and that the carboxyl groups were important in the interactions. ß-CD nanosponges (three cycles of use) were more effective than FPPW (one cycle of use) in the regeneration. Finally, ß-CD nanosponges could be considered an eco-friendly adsorbent to recover Nd3+ from aqueous matrices.

Relativistic four-component MRCISD+Q calculations of the six lowest valence states of molecular [Formula: see text] anion including breit interactions.

CONTEXT AND RESULTS: This study aimed to obtain potential energy curves within a multireference 4-component relativistic method and to present spectroscopic constants (R[Formula: see text],[Formula: see text],[Formula: see text]x[Formula: see text],[Formula: see text]y[Formula: see text], D[Formula: see text], D[Formula: see text], B[Formula: see text],[Formula: see text],[Formula: see text],[Formula: see text] ), accurate extended Rydberg analytical form, and rovibrational levels for the 6 low-lying states of the I[Formula: see text] anion. For these states, some spectroscopic constants, rovibrational levels, and an accurate analytical form are presented for the first time in literature, and they are of interest for femtosecond and dynamics experiments of I[Formula: see text] as well as for electron attachment of I[Formula: see text]. This study suggests that the inclusion of relativistic and correlation effects treated at the MRCISD+Q level is needed to obtain reliable results, specially for D[Formula: see text]. COMPUTATIONAL AND THEORETICAL TECHNIQUES: The potential energy curves of the ground and the excited states of the molecular iodine anion (I[Formula: see text]) were investigated at multireference configuration interaction (MRCISD) with Davidson size-extensivity correction (denoted as +Q) within a fully relativistic four-component relativistic framework including Breit interaction.

Enhanced UV-light driven photocatalytic performance of magnetic CoFe2O4/TiO2 nanohybrid for environmental applications.

In this work, CoFe2O4/TiO2 nanostructure was prepared through a facile and effective solvothermal route for efficient use in the degradation of the Erionyl Red A-3G model pollutant under ultraviolet irradiation. Characterization analysis indicated the successful heterojunction among the precursors. The composite presented band gap value of 2.75 eV, being smaller than that of the pristine TiO2, as well as mesoporous structure. The catalytic activity of nanostructure was investigated by employing a 22 factorial experimental design with 3 central points. The optimized reaction conditions were set as pH = 2 and catalyst dosage = 1.0 g L-1 for an initial pollutant concentration of 20 mg L-1. The prepared nanohybrid presented remarkable catalytic activity, reaching color removal efficiency of 95.39% after 15 min, as well as total organic carbon (TOC) removal of 69.4% after 120 min. The kinetic studies of TOC removal followed the pseudo-first order model, with a rate constant of 0.10 min-1. Moreover, the nanostructure presented magnetic behavior, being easily separated from the aqueous medium through the use of a simple external magnetic field.

Adsorptive behavior of multi-walled carbon nanotubes immobilized magnetic nanoparticles for removing selected pesticides from aqueous matrices.

The present work synthesized two new materials of functionalized multi-walled carbon nanotubes (MWCNT-OH and MWCNT-COOH) impregnated with magnetite (Fe3O4) using solution precipitation methodology. The resulting MWCNT-OH-Mag and MWCNT-COOH-Mag materials were characterized by scanning electron microscopy coupled with energy dispersion X-ray spectroscopy, Fourier transform infrared, X-ray diffraction, atomic force microscopy, and electrical force microscopy. The characterization results indicate that the -OH functional groups in the MWCNT interact effectively with magnetite iron favoring impregnation and indicating the regular distribution of nanoparticles on the surface of the synthesized materials. The adsorption efficiency of the MWCNT-OH-Mag and MWCNT-COOH-Mag materials was tested using the pollutants 2,4-D and Atrazine. Over batch studies carried out under different pH ranges, it was found that the optimal condition for 2,4-D adsorption was at pH 2, while for Atrazine, it was found at pH 6. The rapid adsorption kinetics of 2,4-D and Atrazine reaches equilibrium within 30 min. The pseudo-first-order model described 2,4-D adsorption well. The General-order model described better atrazine adsorption. The magnetically doped adsorbent functionalized with -OH surface groups (MWCNT-OH-Mag) demonstrated superior adsorption performance and increased Fe-doped sites. The Sips model described the adsorption isotherms accurately. MWCNT-OH-Mag presented the greatest adsorption capacity at 51.4 and 47.7 mg g-1 for 2,4-D and Atrazine, respectively. Besides, electrostatic forces and complexation rule the molecular interactions between metals and pesticides. The leaching and regeneration tests of the synthesized materials indicate high stability in an aqueous solution. Furthermore, experiments with wastewater samples contaminated with the model pollutants indicate that the novel adsorbents are highly promising for enhancing water purification by adsorptive separation.

Euterpe oleracea-based biochar for clonazepam adsorption: synthesis, characterization, adsorption properties, and toxicity assays.

The consumption of açaí fruit (Euterpe oleracea) has largely increased worldwide, resulting in a significant increase in the demand for its pulp. As a result, the small producing communities end up with large amounts of açaí endocarp residues, creating local environmental pollution problems. Therefore, chemical and physical routes were investigated for producing açaí endocarp adsorbents to propose a locally viable solution for this problem. The adsorption properties of the produced biochars were tested for clonazepam (CZM) removal, and the toxicity of the final solutions was evaluated. The results revealed that the chemical route generated biochar with about twice the surface area and pore volume (762 m2 g-1 and 0.098 cm3 g-1) than the physical route (498 m2 g-1 and 0.048 cm3 g-1). Furthermore, the Sips isotherm better described the CZM adsorption equilibrium for both biochars, with qs values of 26.94 and 61.86 mg g-1 for the physical- and chemical-activated adsorbents. Moreover, recycling studies were performed, and the chemical-activated biochar was stable for up to three cycles, reaching removal rates superior to 80%. Besides, the final toxicity decreased after the adsorptive treatment. Therefore, chemical activation can be used as a simple and effective method for producing stable and compelling adsorbents as an elegant way of adding value to the residues from açaí production, helping solve local environmental problems.

A cobertura da Folha de São Paulo dos Jogos Paralímpicos entre 1972 e 2020 / The Folha de São Paulo's coverage of the Paralympic Games between 1972 and 2020 / La cobertura de Folha de São Paulo de los Juegos Paralímpicos entre 1972 y 2020

Este estudo teve como objetivo levantar algumas características da cobertura da Folha de São Paulo dos Jogos Paralímpicos (JP) entre 1972 e 2020. Os objetivos específicos foram: levantar o número de publicações relativas aos JP durante as diferentes edições; mapear a distribuição das publicações por modalidades e tipos de deficiência; levantar os números totais de medalhas conquistadas pelo país a cada edição, por modalidades e por tipos de deficiência, e contrastar estes números com as informações levantadas nos objetivos anteriores. Realizamos uma análise quantitativa e descritiva dos dados. Verificamos que número de publicações cresceu, com algumas oscilações; a deficiência física foi privilegiada nas publicações em relação aos outros tipos de deficiência; as publicações privilegiaram algumas modalidades e tipos de deficiência; e não houve uma correlação significativa entre o número total de publicações e o total de medalhas. Este trabalho oferece subsídios para uma cobertura mais qualificada do paradesporto.

This study aimed to identify some characteristics of Folha de São Paulo's coverage of the Paralympic Games (PG) between 1972 and 2020. The specific objectives were:to determine the number of publications related to the PG during different editions; to map the distribution of publications by sport and type of disability; to determine the total number of medals won by the country in each edition, by sport and by type of disability; and to compare these numbers with the information obtained in the previous objectives. The data analysis was quantitative and descriptive. The number of publications increased, with some fluctuations; physical disability was privileged in the publications compared to other types of disabilities; publications favored some sports and types of disability; and there was no significant correlation between the total number of publications and the total number of medals. This study provides support for a more qualified coverage of para sports.

Este estudio tuvo como objetivo recopilar algunas características de la cobertura de la Folha de São Paulo de los Juegos Paralímpicos (JP) entre 1972 y 2020. Los objetivos específicos fueron: recopilar el número de publicaciones relacionadas con los JP; mapear la distribución de las publicaciones por modalidades y tipos de discapacidad; recopilar los números totales de medallas conquistadas por el país en cada edición, por modalidades y por tipos de discapacidad, y contrastar estos números con la información recopilada en los objetivos anteriores. El análisis fue cuantitativo y descriptivo. El número de publicaciones aumentó, con algunas fluctuaciones; la discapacidad física fue privilegiada en las publicaciones en relación con otros tipos de discapacidad; las publicaciones privilegiaron algunas modalidades y tipos de discapacidad; y no hubo una correlación significativa entre el número total de publicaciones y el total de medallas. Este trabajo ofrece subsidios para una cobertura más calificada del paradesporto.

Use of the CuFe2O4/biochar composite to remove methylene blue, methyl orange and tartrazine dyes from wastewater using photo-Fenton process.

In this study, CuFe2O4 ferrite was supported on biochar produced from malt biomass residues as a photocatalyst for degradation of methylene blue (MB), methyl orange (MO), and tartrazine (TZ) dyes. XRD, FT-IR, and FE-SEM were used to characterize the crystallinity and morphology of the samples. The characterization showed that the ferrite was uniformly supported on the surface of the biochar, confirming the formation of the composite. Degradation tests showed that CuFe2O4 degraded approximately 50, 47, and 62% of MB, MO, and TZ dyes, respectively, after 60 min of reaction. On the other hand, the CuFe2O4/biochar composite showed a significant increase in dye degradation, ~ 100%, for all three dyes. This increase in degradation efficiency may be due to less agglomeration of supported particles and due to decreased recombination of electron/hole pairs. Thus, results showed that the photocatalyst composite produced in this study is an effective alternative for removing dyes from wastewater.

Effective treatment of hospital wastewater with high-concentration diclofenac and ibuprofen using a promising technology based on degradation reaction catalyzed by Fe0 under microwave irradiation.

Real hospital wastewater was effectively treated by a promising technology based on degradation reaction catalyzed by Fe0 under microwave irradiation in this work. Fe0 powders were synthesized and characterized by different techniques, resulting in a single-phase sample with spherical particles. Optimum experimental conditions were determined by a central composite rotatable design combined with a response surface methodology, resulting in 96.8% of chemical oxygen demand reduction and 100% organic carbon removal, after applying MW power of 780 W and Fe0 dosage of 0.36 g L-1 for 60 min. Amongst the several organic compounds identified in the wastewater sample, diclofenac and ibuprofen were present in higher concentrations; therefore, they were set as target pollutants. Both compounds were completely degraded in 35 min of reaction time. Their plausible degradation pathways were investigated and proposed. Overall, the method developed in this work effectively removed high concentrations of pharmaceuticals in hospital wastewater.

Microplastics physicochemical properties, specific adsorption modeling and their interaction with pharmaceuticals and other emerging contaminants.

This review discusses the imminent threat that microplastics (MPs) associated with pharmaceuticals represent to the aquatic environment and public health. We initially focused upon recognizing and stressing that MPs are ubiquitous pollutants. The influence of environmental factors, such as pH, mechanical stress, and photodegradation, are examined, aiming to elucidate how both substances might associate, what are their simultaneous degradation pathways and, to understand the interactions between MPs and pharmaceuticals. Mathematical tools, such as modeling and simulations, are presented in detail, aiming to improve how information is interpreted. Furthermore, it is exhibited that MPs sorption and interaction behavior towards organic contaminants play an important role in understanding its dynamics in the environment, as well as their possible interactions with pharmaceuticals that are summarized. At last, MPs and pharmaceuticals toxicity and bioaccumulation are presented.