Abstract (Introduction): The search for techniques and methods for managing sludge generated during wastewater treatment is necessary to ensure sustainable sanitation in the medium term in Latin America. An interesting approach involves converting sludge into a biosolid usable in agriculture through alkaline sanitization. (Objective): We evaluated this technique’s efficacy and economic and environmental viability for obtaining an agriculturally usable type A biosolid from municipal wastewater treatment plant (WWTP) sludge. (Methodology): To this end, the efficacy in reducing microbiological parameters was experimentally tested at the laboratory scale using quicklime, for anaerobic and aerobic WWTP sludge. The experimental results fed a benefit/cost analysis model and a life cycle assessment. (Results): It was confirmed that applying a 40 % lime dose allowed the obtention of a type A biosolid with non-detectable concentrations of pathogenic microorganisms, which remained in that condition for more than 30 days. Additionally, the benefit/cost and life cycle analyses concluded that this option would be more attractive than sludge disposal in a landfill, due to the corresponding savings in chemical compounds (fertilizers, agricultural lime). (Conclusions): Therefore, alkaline sanitization can be considered suitable for WWTP sludge management. Its application on a larger scale should be further investigated in the country and the Latin-American region, considering the risk associated to the presence of heavy metals too.

Resumen (Introducción): La búsqueda de técnicas y modelos de gestión del lodo generado durante el tratamiento de las aguas residuales es necesaria para garantizar un saneamiento sostenible a mediano plazo en América Latina. Una vía interesante consiste en convertir el lodo en un biosólido aprovechable en la agricultura por medio de la higienización alcalina. (Objetivo): Se evaluó la eficacia y la viabilidad económica y ambiental de esta técnica para la obtención de un biosólido tipo A aprovechable en la agricultura a partir de lodo de planta de tratamiento de aguas residuales (PTAR) ordinaria. (Metodología): Para ello se probó experimentalmente en escala de laboratorio la eficacia en el decaimiento de parámetros microbiológicos higienizados con cal viva, usando lodo anaeróbico y aeróbico de PTAR. Los resultados experimentales alimentaron un modelo de análisis de beneficio/costo y de ciclo de vida. (Resultados): Pudo corroborarse que la aplicación de dosis de cal de 40 % permitió obtener un biosólido tipo A con concentraciones de microorganismos patógenos no detectables, lo cual se mantuvo en esa condición por más de 30 días. Además, el análisis de beneficio/costo y de ciclo de vida permitieron concluir que esta opción sería más atractiva que la disposición del lodo en un relleno sanitario, debido al ahorro correspondiente en compuestos químicos (fertilizantes o cal agrícola) derivado de su aprovechamiento. (Conclusiones): Por lo tanto, la técnica de higienización alcalina puede considerarse como adecuada para la gestión del lodo de PTAR y su aplicación a mayor escala debe investigarse en mayor detalle en el país y la región latinoamericana, considerando también el riesgo de presencia de metales pesados en este subproducto.

Abstract: Color and glossiness are two important aesthetic properties of wood flooring and wood furniture that significantly affect consumers choice. With time the coating deteriorates altering the surface properties. Understanding these changes is important for furniture industry, impacting design choices, material selection, and long-term maintenance. The effects of thermal aging (30 °C for 30 days, 60 °C for 60 days, and 90 °C for 90 days) on color parameters (C*, L*, b*. a*, h o) and glossiness on both perpendicular (⊥) and parallel (║) directions at 20°, 60°, and 85° angles in UV-cured coatings applied on sessile oak were studied. Results show that statistically significant differences were observed in the glossiness values, as well as in C*, b*, a*, L* and h o. As the temperature and duration of the thermal aging process increased, there was a noticeable increase in the values of color parameters b*, a*, and C*, while the values of h o and L* decreased. The characteristics of the surfaces exposed to thermal aging have undergone a complete transformation.

This study aims to propose a new method for derivatizing fatty acids (FAs) from human milk (HM), eliminating the lipid extraction step, and simplifying the preparation for gas chromatography with a flame ionization detection (GC-FID) analysis to quantify the FAs. The Design Expert software optimized the reaction times, concentrations, and sample amount. The proposed method (PM) was validated for lyophilized HM and results for the figures of merit for precision in relative standard deviation (RSD) (RSDintra-day 1.34-4.03% and RSDinter day 2.08 5.16%), accuracy (99.87-102.16%), and robustness are within a linear range of 3 to 38% lipids in HM samples. The atmospheric solids analysis probe tandem mass spectrometry (ASAP-MS/MS) technique confirmed the efficiency of PM by expressing the molecular composition of triacylglycerol formed by FAs from the GC-FID technique. The PM requires a small sample size and conducts derivatization directly in the sample matrix, minimizing extraction errors. (FAs HM, , (HM) step GCFID GC FID (GC-FID times concentrations amount (PM RSD (RSD RSDintraday RSDintra 1.344.03% 134403 1.34 4.03% 1 34 4 03 1.34-4.03 208 2 08 2.0 5.16%, 516 5.16% 5 16 5.16%) 99.87102.16%, 998710216 99.87 102.16% 99 87 102 (99.87-102.16%) 38 samples ASAPMS/MS ASAPMSMS ASAP MS/MS MS (ASAP-MS/MS matrix errors (HM 344 1.344.03 13440 134 1.3 403 4.03 0 1.34-4.0 20 2. 51 5.16 87102 99.87102.16% 99871021 9987 99.8 10216 102.16 9 8 10 (99.87-102.16% ASAPMS MSMS 1.344.0 1344 13 1. 40 4.0 1.34-4. 5.1 8710 99.87102.16 9987102 998 99. 1021 102.1 (99.87-102.16 1.344. 4. 1.34-4 5. 871 99.87102.1 998710 102. (99.87-102.1 1.344 1.34- 99.87102. 99871 (99.87-102. 99.87102 (99.87-102 99.8710 (99.87-10 99.871 (99.87-1 (99.87- (99.87 (99.8 (99. (99 (9 (

Gold and platinum bimetallic nanoparticles, Au@PtNPs, have gained attention due to their plasmonic properties. The controlled synthesis of Au@PtNPs involves complex parameters, and the resulting synergy between Au and Pt introduces possibilities for tailoring their properties. This study explores the effects of key-parameters of synthesis (gold core diameters, reaction time, and Pt concentration) on the final properties of Au@PtNPs. Gold nanoparticles of varying diameters were synthesized and used as cores for the reduction of hexachloroplatinic acid, forming a surrounding shell of Pt nanoparticles. The parameters were systematically tuned to understand their impact on morphology, dimension, stability, and plasmonic properties of Au@PtNPs. Increasing Pt precursor concentration resulted in thicker and denser Pt shells, broadening the localized surface plasmon resonance (LSPR) band and improving Au@PtNPs stability. These properties are essential for applications such as photothermal treatment. The synthesis achieved satisfactory products within just 1 h of Pt4+ reduction at mild temperature without using surfactants. Only limited changes in plasmonic properties were observed after 4 h of synthesis, suggesting an optimal reaction period. Manipulating Au core diameter provided LSPR band control, with smaller cores exhibiting greater broadening towards the infrared region. This systematic exploration provided valuable insights for understanding key-parameters governing the synthesis and properties of Au@PtNPs. AuPtNPs PtNPs keyparameters key gold time acid morphology dimension stability shells (LSPR treatment Pt4 surfactants period control region

The present work focused on the screening process of different inorganic oxides and different temperatures for the epoxidation reaction of macaw palm vegetable oil without using solvent, a promising Brazilian biomass that can substitute other vegetable oils (e.g., soybean oil) in technological applications. This oil has an iodine value of 108.48 g of I2 per 100 g being categorized as a semi-dry oil. The epoxidized vegetable oil can be applied in manifold areas in polymer science. The epoxidation reaction here presented avoided organic solvents and organic acids and aimed to produce a greener route using metal oxides or niobium phosphate as a peroxide-activating catalyst. The experimental parameters were maintained as 10 mol% of catalyst loading and a time of 24 h; however, the temperature for some catalysts was changed to improve the epoxide conversion. Experiments were measured by proton nuclear magnetic resonance (1H NMR). Experiments using titanium oxide (TiO2) as a catalyst reached a conversion greater than 84.7%, while experiments using aluminium oxide (Al2O3) or lanthanum oxide (La2O3) achieved conversions of 22.6 and 30.1%, respectively. Furthermore, it was observed that both niobium compounds instantly react with hydrogen peroxide to form peroxy derivatives. solvent e.g., eg e (e.g. applications 10848 108 48 108.4 I semidry semi dry science peroxideactivating activating 1 mol 2 h however 1H H NMR. NMR . NMR) TiO2 TiO (TiO2 847 84 7 84.7% Al2O3 AlO Al O (Al2O3 La2O3 LaO La (La2O3 226 22 6 22. 301 30 30.1% respectively Furthermore derivatives e.g. (e.g 1084 4 108. (TiO 8 84.7 Al2O (Al2O La2O (La2O 3 30.1 e.g 84. 30.

The first step in the synthesis of polyaniline doped with dodecylbenzene sulfonic acid is the synthesis of the anilinium dodecylbenzene sulfonate salt obtained through the reaction between aniline and dodecylbenzene sulfonic acid in aqueous medium. In this work, theoretical models were developed to simulate the formation mechanism of this salt in an aqueous medium. Changes in energy, frontier orbitals, gap energy, charge distribution and thermodynamic parameters were calculated. These theoretical results were correlated with the experimental data from the synthesis of the salt and from infrared spectroscopy. Theoretical models suggested that the solubilization of dodecylbenzene sulfonic acid and aniline in water are energetically and thermodynamically favorable processes. Interactions between the frontier orbitals indicated the formation of water-insoluble anilinium dodecylbenzene sulfonate salt. These molecular modeling results agree with experimental data indicating that the theoretical method used was efficient in simulating the reaction system. medium work energy calculated spectroscopy processes waterinsoluble insoluble system

Jaboticaba peel powder (JPP) is a residue that contains phenolic compounds, such as anthocyanins and gallic acid. An adsorbent-bioactive complex (ABC) was synthesized using an extract rich in compounds with antioxidant properties obtained from JPP immobilized on microcrystalline cellulose from sweet sorghum bagasse. In this work, the result of thermal degradation of anthocyanins from JPP and ABC, activation energy (Ea), half-life time (t1/2), decimal reduction time (D), temperature variation (Z), thermodynamic parameters (enthalpy (ΔH), Gibbs free energy (ΔG) and entropy (ΔS)) and degradation of antioxidant activities were investigated. Anthocyanin degradation of 35, 60 and 85% was observed for JPP and 10, 30 and 65% for ABC at temperatures of 90-130 °C. Ea of JPP and ABC were 110 and 91 kJ mol-1, respectively. ABC was able to increase from 143-690% the half-life time when compared to JPP. The Z parameter indicated that a greater temperature variation is necessary to degrade ABC anthocyanins (31 °C) when compared to JPP (25 °C). The thermodynamic parameters showed that the energy needed to be broken down to reach the transition state is higher for JPP than ABC, in addition ABC is closer to its thermodynamic equilibrium state. Thus, ABC can be used as an additive in pharmaceutical, cosmetics and food industries, maintaining bioactive and antioxidant properties. (JPP acid adsorbentbioactive adsorbent (ABC bagasse work Ea, , (Ea) halflife half life t1/2, t12 t t1/2 t1 2 (t1/2) D, D (D) Z, (Z) enthalpy ΔH, ΔH (ΔH) ΔG (ΔG ΔS (ΔS) investigated 35 6 85 10 3 65 90130 90 130 90-13 C °C 11 9 mol1, mol1 mol 1, 1 mol-1 respectively 143690% 143690 143 690% 690 143-690 31 (3 25 (2 . Thus pharmaceutical industries (Ea t1/ (t1/2 (D (Z (ΔH (ΔS 8 9013 13 90-1 mol- 14369 14 69 143-69 ( (t1/ 901 90- 1436 143-6 (t1 143- (t

RESUMO: O advento de tratores articulados proporcionou aumento significativo da produtividade e redução dos custos das operações agrícolas. Para que o conjunto mecanizado seja eficiente é necessário que haja um entendimento do desempenho energético dos tratores nas operações. Semeadoras adubadoras operam entre 6 e 9 km/h, enquanto semeadoras permitem velocidades superiores. Aumentar a velocidade de semeadura favorece a eficiência operacional e reduz custos com mão de obra. No entanto, é importante ajustar o conjunto a fim de otimizar os parâmetros energéticos, buscando o equilíbrio entre produtividade e sustentabilidade. O objetivo deste estudo foi avaliar os parâmetros energéticos e operacionais de um trator agrícola articulado de 398kW em diferentes velocidades. O experimento foi conduzido em faixas, no delineamento de blocos casualizado. Foram empregadas cinco relações de velocidade teórica para operação de semeadura (6, 7, 8, 9 e 10 km h-1), com sete repetições, totalizando 35 unidades experimentais. Sendo mensurados os parâmetros: velocidade operacional, patinagem, rotação do motor, consumo horário e específico de combustível, eficiência térmica do motor, força e rendimento na barra de tração, consumo de combustível por área e capacidade operacional de campo. Os dados coletados foram submetidos aos testes de normalidade, quando significativos, submetidos à análise de variância. Os resultados evidenciam elevada capacidade de campo, superior a 20 ha h-1, para operação de semeadura com trator articulado, com consumo de combustível por área foi inferior 3,2 L ha-1 nas velocidades avaliadas, demonstrando vantagem em operar em maiores velocidades. RESUMO agrícolas kmh h km/h superiores obra entanto sustentabilidade kW faixas casualizado 6, (6 7 8 1 h1, h1 , h-1) repetições 3 experimentais patinagem motor tração campo normalidade significativos variância 2 1, h-1 32 3, ha1 ha- avaliadas ( h-

ABSTRACT: The breakthrough of articulated tractors has led to a significant increase in productivity and a cost reduction of agricultural operations. The performance of the tractor implement system depends on the understanding of the tractors’ energy parameters. Fertilizer seeders operate between 6 and 9 km h-1, while seed drills allow higher speeds. Increasing sowing speed improves operational efficiency. However, it is important to adequately set the machinery, to optimize the energy parameters, considering the balance between productivity and sustainability. This study evaluated the energy and operating parameters of a 398kW articulated agricultural tractor in a sowing operation at different speeds. The experiment was conducted in a complete randomized block design. Five theoretical speeds were chosen for the sowing operation (6, 7, 8, 9 and 10 km h-1), with seven replications (35 units). The tractor operating parameters were measured: operational speed, slippage, engine speed, hourly fuel consumption, engine thermal efficiency, specific fuel consumption, drawbar force, drawbar efficiency, fuel consumption per area and field operating capacity. The data were subjected to normality test, when significant, variance analysis. Results showed high field capacity in the highest speed and low fuel consumption per area at the highest speed. ABSTRACT operations h1, h1 h 1, 1 h-1 efficiency However machinery sustainability kW design 6, (6 7 8 , h-1) 35 (3 units. units . units) measured slippage force test analysis h- ( 3

The in silico study aimed to suggest phytochemicals from Commiphora leptophloeos leaves essential oil as therapies against coronavirus disease (COVID-19) (or severe acute respiratory syndrome coronavirus 2, SARS-CoV-2). For that, we used molecular docking (MD), absorption, distribution, metabolism, excretion, and toxicity (ADMET) parameters, and pharmacokinetic analysis. MD showed the presence of hydrophobic and hydrogen bonds for nine compounds. β-Selinene and bicyclogermacrene showed the best interaction values with the protein Mpro (ID: 6Y2F) (-5.9) and chimeric receptor complexed with its receptor human ACE2 (ID: 6VW1) (-6.1 and -5.5) proteins, as well as low gastrointestinal and high epithelial absorptions, medium permeability for Caco-2 cells and high epithelial permeability, low oral excretion, and were inhibitors of CYP2C19 and CYP2C9 enzymes. On the other hand, both were not permeable to the blood-brain barrier and inhibitors or substrates for glycoprotein-D, and showed carcinogenic potential, but only β-selinene was considered mutagenic. Although little bioavailable, both presented aspects structurally adequate, being compounds with moderate synthesis difficulty. Therefore, more analyses are necessary to evaluate the mechanism of action and unsatisfactory parameters foreseen in bioinformatic assays. COVID19 COVID 19 (COVID-19 2 SARSCoV2. SARSCoV2 SARSCoV SARS CoV . SARS-CoV-2) that MD, , (MD) absorption distribution metabolism excretion ADMET (ADMET analysis βSelinene β Selinene ID (ID 6Y2F YF Y F 5.9 59 5 9 (-5.9 ACE 6VW1 VW 6.1 61 6 1 (-6. 5.5 55 -5.5 proteins absorptions Caco2 Caco Caco- CYPC CYP C CYP2C1 CYP2C enzymes hand bloodbrain blood brain glycoproteinD, glycoproteinD glycoprotein D, D glycoprotein-D potential βselinene selinene mutagenic bioavailable adequate difficulty Therefore assays COVID1 (COVID-1 SARS-CoV-2 (MD 5. (-5. 6VW 6. (-6 -5. (COVID- SARS-CoV- (-5 (- -5 (COVID SARS-CoV ( -

Caffeine (CAF) and nicotine (NIC) are emerging contaminants and are among the most consumed substances in the world, making it crucial to monitor these contaminants. In this work, an alternative electrolyte, 2-hydroxyethylammonium acetate (2HEAA) was used for the development of an electroanalytical method for determination and quantification of CAF and NIC, simultaneously, using differential pulse voltammetry (DPV). The system with the 2HEAA electrolyte was characterized by cyclic voltammetry and electrochemical impedance spectroscopy, and the DPV parameters were optimized for the best conditions. The method was validated from a calibration curve obtained which showed limit of detection (LOD) of 0.82 and 6.26 μmol L 1 and limit of quantification (LOQ) of 2.73 and 20.8 μmol L-1 for CAF and NIC, respectively. In the precision analyses, values lower than 10% of relative standard deviation were obtained. In the presence of concomitant inorganic and organic species, the system proved to be selective in the determination of analytes. The method was used to determine the analytes in fortified samples (river water, synthetic urine and commercial milk), obtaining recoveries between 87.25 and 111.40%. The 2HEAA demonstrated high efficiency as an alternative electrolyte with good signal-to-noise ratio, increased analytical sensitivity of the method, in addition to presenting low cost and fast electrolyte preparation. (CAF NIC (NIC world work 2hydroxyethylammonium hydroxyethylammonium 2 HEAA (2HEAA simultaneously DPV. . (DPV) spectroscopy conditions LOD (LOD 082 0 82 0.8 626 6 26 6.2 LOQ (LOQ 273 73 2.7 208 20 8 20. L1 L- respectively analyses 10 species river water milk, milk , milk) 8725 87 25 87.2 11140 111 40 111.40% signaltonoise signal noise ratio preparation (DPV 08 0. 62 6. 27 7 2. 872 87. 1114 11 4 111.40 111.4 111.

This research aims to develop a precise and efficient dispersive solid-phase microextraction (DSPE) technique using third-generation polyamidoamine (PAMAM) dendrimer-grafted nanoparticles to quantify benzoylurea pesticides in green tea, black tea, and oolong tea infusions. The extraction efficiency is optimized through single-factor adjustments of key parameters, including adsorbent quantity (5-20 mg), adsorption duration (5-20 min), desorbent identity (methanol, acetonitrile), volume (100-600 μL), sodium chloride concentration (0-10%, m/v), and sample solution pH (3-8). The optimized method demonstrates linearity in the range of 2-500 μg L-1, with limits of detection (LODs) ranging from 0.6-1.5 μg L-1 and limits of quantification (LOQs) from 2.0 5.0 μg L-1. Recovery rates of 81.2-96.0% are achieved, with intra-day relative standard deviations (RSDs) of 1.4-2.8% and inter-day relative standard deviations of 2.0-3.9%, indicating high accuracy and repeatability. The successful application of detecting residues in commercial tea samples underscores the strong potential of the technique to determine benzoylurea analyte levels. solidphase solid phase DSPE (DSPE thirdgeneration third generation PAMAM (PAMAM dendrimergrafted dendrimer grafted infusions singlefactor single factor parameters 520 5 20 (5-2 mg, mg , mg) min, min min) methanol, methanol (methanol acetonitrile, acetonitrile acetonitrile) 100600 100 600 (100-60 μL, μL μL) 010%, 010 0 10%, 10 (0-10% m/v, mv m/v m v m/v) 38. 38 3 8 . (3-8) 2500 2 500 2-50 L1, L1 L 1, 1 LODs (LODs 0.61.5 0615 0.6 1.5 6 0.6-1. L- LOQs (LOQs 2. 50 5. L1. 1. 81.296.0% 812960 81.2 96.0% 81 96 81.2-96.0 achieved intraday intra day RSDs (RSDs 1.42.8% 1428 1.4 2.8% 4 1.4-2.8 interday inter 2.03.9%, 2039 3.9%, 9 2.0-3.9% repeatability levels 52 (5- 10060 60 (100-6 010% 01 10% (0-10 (3-8 250 2-5 61 0.61. 061 06 0. 15 0.6-1 296 81.296.0 81296 812 81. 960 96.0 81.2-96. 42 1.42.8 142 14 28 2.8 1.4-2. 03 2.03.9% 203 39 3.9% 2.0-3.9 (5 1006 (100- (0-1 (3- 25 2- 0.61 0.6- 29 81.296. 8129 96. 81.2-96 1.42. 1.4-2 2.03.9 3.9 2.0-3. ( (100 (0- (3 81.296 81.2-9 1.42 1.4- 2.03. 3. 2.0-3 (10 (0 81.29 81.2- 2.03 2.0- (1

ABSTRACT Biochar can promote crop production and soil quality. However, its characteristics depend on the waste used in its production and its effects may vary according to the species being cultivated and the management adopted. The aim of this study was to evaluate the application of biochar from animal waste on soil quality and the agronomic characteristics of the cowpea. An experiment was set up to test three types of biochar (bovine-BB, swine-SB and poultry-BP), with added fertiliser (BBF, SBF and BPF) and two control treatments, including the addition of calcium magnesium oxide (CT) and calcium magnesium oxide with fertiliser (CTF), giving a total of eight treatments with four replications. There was a respective increase of up to 102.94%, 1048%, 1560% and 360.22% in stem diameter, number of pods, number of grains per pod and stem dry matter from adding the biochar. The poultry biochar increased each of the above parameters even with no added fertiliser. There was no difference in basal soil respiration or β-glucosidase enzyme activity, whereas organic carbon (TOC), total nitrogen (TN), microbial carbon and soil labile carbon were greater with biochar. BBF gave the highest TOC content (24.40 g kg-1), while BP and BPF increased TN by around 61%. The application of biochar + fertiliser contributed to an average reduction of 56% in the soil metabolic quotient. Poultry biochar favoured both the agronomic characteristics of the cowpea and soil quality, while bovine biochar showed more marked results with the addition of fertiliser. However adopted bovineBB, bovineBB BB, BB (bovine-BB swineSB swine SB poultryBP, poultryBP , poultry-BP) BBF, (BBF CT (CT CTF, CTF (CTF) replications 10294 102 94 102.94% 1048 1048% 1560 36022 360 22 360.22 diameter pods βglucosidase β glucosidase activity TOC, (TOC) TN, (TN) 24.40 2440 24 40 (24.4 kg1, kg1 kg 1 kg-1) 61 61% 56 quotient poultry-BP (CTF 1029 10 9 102.94 104 156 3602 36 2 360.2 (TOC (TN 24.4 244 4 (24. kg-1 6 5 102.9 15 3 360. 24. (24 kg- 102. (2 (

In recent years, the field of coordination chemistry has experienced a surge in interest regarding the synthesis and characterization of coordination complexes for diverse applications. This study is dedicated to investigating coordination compounds resulting from the interaction of nonsteroidal anti-inflammatory drugs (NSAIDs) with metal ions. The study research places significant emphasis on understanding the stability and thermal behavior of these coordination compounds. The utilization of thermoanalytical techniques is crucial in achieving this goal. Thermal analysis and thermokinetics provide valuable insights into the underlying mechanisms, kinetics, and energetics of these reactions, thereby facilitating the optimization of synthesis procedures. The research employs concurrent techniques, namely thermogravimetric analysis (TG) and differential scanning calorimetry (DSC), to explore the thermal stability and decomposition pathways of these coordination compounds. Thermokinetic models and optimization methodologies are subsequently applied to identify key reaction parameters. The primary aim of this research is to unveil the thermal behavior, stability, and reaction kinetics of aceclofenac coordination compounds, thus contributing significantly to the understanding of thermokinetics and thermal analysis in the domain of coordination chemistry. Specifically, this study is focused on aceclofenac coordination complexes involving lanthanum and gadolinium, with the ultimate goal of advancing the field of coordination chemistry. years applications antiinflammatory anti inflammatory NSAIDs (NSAIDs ions mechanisms reactions procedures TG (TG DSC, DSC , (DSC) parameters Specifically gadolinium (DSC

In this work, using the PM3 semi-empirical method, the oxidation of the single-walled carbon nanotube (SWCNT) was studied by sulfuric and nitric acid for the incorporation of carbonyl (C=O), phenol (OH) and carboxylic (COOH) groups in the C=C bonds present on the surface of the nanotube. Subsequently, the crosslinking of the oxidized SWCNT (SWCNTox) and chitosan (Q) was observed through hydrogen bonds of the C=O and OH bonds with 2.34 Å, the process was endothermic and soluble in polar solvents due to the presence of OH and NH groups in the structure of SWCNTox/Q. The Monte Carlo modeling allowed to study the adsorption of pesticides in the SWCNTox/Q at different temperatures, where the QSAR (quantitative structure activity relationship) properties allowed predicting the behavior of the pesticides, that is, the degree of hydrophobicity (log P) and accessible surface area (ASA) were important parameters in the evaluation of SWCNTox/Q as an adsorbent and surface interacting with pesticides respectively. Finally, the adsorption was a physisorption process due to the electronegativity of the CO, OH, NH2, NH and C=O bonds. work PM semiempirical semi empirical method singlewalled single walled (SWCNT C=O, CO , C O (C=O) (OH COOH (COOH CC Subsequently SWCNTox (SWCNTox Q (Q 234 2 34 2.3 Å SWCNToxQ temperatures quantitative relationship is log P ASA (ASA respectively Finally NH2 (C=O 23 3 2.

Nanoparticles of TiO2 doped with low amount of Fe were synthesized from natural ilmenite obtained from alluvial gold mine wastes. The obtained TiO2 were characterized using X-ray diffraction (XRD), X-ray fluorescence (XRF), Fourier-transform infrared spectroscopy (FTIR), UV-Vis diffuse reflectance, thermogravimetric analysis/differential scanning calorimetry (TGA/DSC), N2 adsorption-desorption isotherms, transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS). The results confirm the formation of mesoporous TiO2 nanoparticles in anatase phase with 0.05 wt.% of iron possibly replacing some titanium places. All the characterizations were performed to the synthesized solid and the reference materials (TiO2 anatase and Degussa P25). The photocatalytic activity of both the synthesized solid and references were evaluated in the photo-oxidation of cyanide in aqueous medium under UV illumination. An experimental design type Box-Behnken was performed choosing three different parameters: the initial concentration of cyanide (50, 150 and 250 ppm) the catalyst load (0.1, 0.5 and 1.0 g L-1) and the oxygen source. The percentage of cyanide conversion was chosen as response in the design obtaining as optimal conditions [CN-]0 = 50 ppm, catalyst load = 0.6 g L-1 and air bubbling. Under these conditions it was reached 32, 32 and 89% of cyanide conversion for Fe-TiO2 synthesized, TiO2 anatase and Degussa P25, respectively. TiO wastes Xray X ray XRD, XRD , (XRD) XRF, XRF (XRF) Fouriertransform Fourier transform FTIR, FTIR (FTIR) UVVis Vis reflectance analysisdifferential analysis differential TGA/DSC, TGADSC TGA/DSC TGA DSC (TGA/DSC) N adsorptiondesorption adsorption desorption isotherms TEM (TEM XPS. XPS . (XPS) 005 0 05 0.0 wt wt. places (TiO P25. P25 P P25) photooxidation photo oxidation illumination BoxBehnken Box Behnken parameters 50, (50 15 25 ppm 0.1, 01 1 (0.1 5 0. 10 1. L1 L source CN0 CN [CN-] 06 6 L- bubbling 3 89 FeTiO2 FeTiO Fe-TiO respectively (XRD (XRF (FTIR (TGA/DSC (XPS 00 P2 (5 2 0.1 (0. [CN- 8 ( (0 [CN