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.

We report a facile hydrothermal method for the synthesis of niobium pentoxide (Nb2O5) under two different temperatures, 120 °C (Nb2O5-120) and 150 °C (Nb2O5-150). The obtained materials were characterized by structural, optical and morphological techniques. Also, the photocatalytic properties of the Nb2O5 samples were evaluated in two reactions under ultraviolet (UVC) irradiation: degradation of methylene blue (MB) and indigo carmine (IC) dyes; and esterification of free fatty acids (FFA) present in waste cooking oil (WCO). The Nb2O5 was formed at different temperatures of synthesis, and the increase in temperature did not cause significant changes in the structural and optical characteristics, but resulted in an increased surface area of the synthesized materials. Both synthesized materials showed excellent efficiency for dye photodegradation. The sample Nb2O5-150 presented the best performance for the MB photodegradation, with almost 85% of the removal efficiency. In this case, the adsorption of MB molecules on the surface of the material was high due to the favorable electrostatic interaction and also because of its high surface area. For the IC photodegradation, the adsorption was insignificant, and both samples presented approximately 100% of the removal efficiency. These materials were also promising for the reduction of free fat acids in waste oil by photoesterification. NbO Nb O (Nb2O5 12 C Nb2O5120 (Nb2O5-120 15 Nb2O5150. Nb2O5150 . (Nb2O5-150) techniques Also Nb2O UVC (UVC irradiation (MB (IC dyes FFA (FFA WCO. WCO (WCO) characteristics photodegradation Nb2O5-15 85 case insignificant 100 photoesterification (Nb2O 1 Nb2O512 (Nb2O5-12 Nb2O515 (Nb2O5-150 (WCO Nb2O5-1 8 10 Nb2O51 (Nb2O5-1 (Nb2O5-15 Nb2O5- (Nb2O5-

In the Amazon, Euterpe oleracea Mart. (açaí), is part of the identity of traditional communities, and the fruit is integrated into their everyday sociocultural dynamics. Hydrolysis and pyrolysis of residual biomass can be alternatives to yield sugars, ethanol, biochar and bio-oil. The açaí seeds subjected to oxidative pretreatment followed by acid hydrolysis increased cellulose to fermentable sugars (reaching 23.5%) and second-generation ethanol production (17.441 L t−1). Açaí oil (ca. 30%) was extracted using a Soxhlet apparatus (using hexane as solvent) and detected through gas chromatography coupled to mass spectrometry (GC-MS), where acids accounted for 82.43% of the total composition, while alcohols comprised only 13.15%. For pyrolysis, temperatures (500 and 550 °C), time (20 and 30 min), and activation temperature (750 and 800 °C) were evaluated, resulting in yields of ca. 22% for biochar and 30% for bio-oil. For the bio-oil, the main compounds detected by GC-MS were acids (16.3%), aldehydes (13.08%), amides (12.19%), alcohols (6.72%), and phenols (4.64%). The obtained biochar displayed surface area values of 553.7 m2 g−1 and 10% crystallinity, indicating its more amorphous nature. Amazon Mart açaí, , (açaí) communities dynamics biooil. biooil bio oil. bio-oil reaching 23.5% 235 23 5 secondgeneration second generation 17.441 17441 17 441 (17.44 t−1. t1 t t−1 . 1 t−1) ca (ca solvent GCMS, GCMS GC MS (GC-MS) 8243 82 43 82.43 composition 1315 13 15 13.15% 500 (50 55 °C, C °C 20 (2 3 min, min min) 750 (75 80 evaluated 22 biooil, oil, 16.3%, 163 16.3% 16 (16.3%) 13.08%, 1308 13.08% 08 (13.08%) 12.19%, 1219 12.19% 12 19 (12.19%) 6.72%, 672 6.72% 6 72 (6.72%) 4.64%. 464 4.64% 4 64 (4.64%) 5537 553 7 553. m g1 g g− 10 crystallinity nature (açaí 23.5 2 17.44 1744 44 (17.4 t− (GC-MS 824 8 82.4 131 13.15 50 (5 ( 75 (7 16.3 (16.3% 130 13.08 0 (13.08% 121 12.19 (12.19% 67 6.72 (6.72% 46 4.64 (4.64% 23. 17.4 174 (17. 82. 13.1 16. (16.3 13.0 (13.08 12.1 (12.19 6.7 (6.72 4.6 (4.64 17. (17 13. (16. (13.0 12. (12.1 6. (6.7 4. (4.6 (1 (16 (13. (12. (6. (4. (13 (12 (6 (4

Food contamination is a public health problem, and the search for natural additives to increase food stability and safety is challenging. This research aimed to study nanoemulsions produced with coriander essential oil and kefiran, an exopolysaccharide extracted from kefir grains. The composition of coriander essential oil was evaluated, revealing linalool as the main component. An experimental design consisting of six trials was conducted. The NE2 formulation (0.5% kefiran and 1.5% coriander essential oil) exhibited smaller particle size, monodispersity, a lower centrifugal stability coefficient, and higher absolute zeta potential values (> 30 mV), indicating high electrical stability. Morphology, thermal stability, and toxicity tests were performed. The minimum bactericidal concentration was determined and applied to commercial cheese. Thermal stability tests demonstrated an increase in the stability of NE2 compared to its individual components, and it was also proven to be non-toxic. The concentration of 25% m v-1 was identified as the minimum bactericidal concentration and was applied to commercial cheese. problem challenging grains evaluated component conducted NE 0.5% 05 0 5 (0.5 15 1 1.5 size monodispersity coefficient > ( 3 mV, mV , mV) Morphology performed cheese components nontoxic. nontoxic non toxic. toxic non-toxic 25 v1 v v- 0.5 (0. 1. 2 0. (0

We report the electrochemical potential of conductive filaments produced with recycled polylactic acid (rPLA) alongside a mixture of graphite (Gpt) and/or carbon black (CB) and castor oil to create an electrode ready-to-use. Additively-manufactured electrodes (AMEs) were compared with commercial-conductive filament composed of PLA and CB. The Gpt-CB-rPLA and CB-rPLA sensors showed lower charge-transfer resistance (Rct) and a greater heterogenous rate constant, k0, (Rct= 1040 ± 50 Ω and 1810 ± 30 Ω and k0= 6.91 (± 0.58) × 103 and 5.31 (± 0.40) × 103 cm s-1, respectively) compared to the sensor from the commercial filament (Rct = 9620 ± 280 Ω and k0 = 3.62 (± 0.38) ×10-3 cm s-1). The electrochemical response of [Fe(CN6)]3-/4- displayed a peak-to-peak separation of 180 ± 8 mV (Gpt-CB-rPLA) and 240 ± 6 mV (CB-rPLA) compared to commercial AME (740 ±10 mV), without any surface treatment. The filaments were used to create a 2,4,6-trinitrotoluene (TNT) detection platform with linear range of 5-20 and 5-100 µmol L-1 for Gpt-CB-rPLA and CB-rPLA, respectively. The collector-detector device was applied for the analysis of a blast simulation. Finally, it is worth noting that the results obtained are without electrode treatment/activation, indicating that the rough surface of the additively manufactured electrode is an additional feature of the device for collecting explosive residues, simply by rubbing the additively manufactured platform on different surfaces in crime scenarios. rPLA (rPLA Gpt (Gpt andor or CB (CB readytouse. readytouse ready use. use ready-to-use Additivelymanufactured Additively AMEs (AMEs commercialconductive GptCBrPLA CBrPLA chargetransfer charge transfer Rct constant k Rct= 104 5 181 3 691 91 6.9 ( 0.58 058 0 58 10 531 31 5.3 0.40 040 40 s1, s1 s 1, 1 s-1 respectively 962 28 362 62 3.6 0.38 038 38 ×103 ×10 ×10- s1. . s-1) FeCN63/4 FeCN634 FeCN Fe CN6 /4 4 CN [Fe(CN6)]3-/4 peaktopeak peak 18 (Gpt-CB-rPLA 24 (CB-rPLA 740 (74 ±1 mV, , mV) treatment 2,4,6trinitrotoluene 246trinitrotoluene trinitrotoluene 2,4,6 2 TNT (TNT 520 20 5-2 5100 100 5-10 L1 L L- CBrPLA, rPLA, collectordetector collector detector simulation Finally treatmentactivation activation treatment/activation residues scenarios 69 9 6. 0.5 05 53 5. 0.4 04 s- 96 36 3. 0.3 03 ×1 FeCN63 FeCN63/ / [Fe(CN6)]3-/ 74 (7 6trinitrotoluene 246 2,4, 52 5- 510 5-1 0. FeCN6 [Fe(CN6)]3- 7 2,4 51 [Fe(CN6)]3 2, [Fe(CN6)] [Fe(CN6) [Fe(CN6 [Fe(CN

The increase in the average temperature of the Earth due to excess CO2 and other greenhouse gases has caused glaciers to melt and sea levels to rise. The burning of fossil fuels is one of the main causes of this problem, so the use of biofuels is important for mitigating this environmental impact. In Brazil, biodiesel is mixed with mineral; however, irregularities have been detected, reducing the expected positive effects. Therefore, this study proposes the use of multivariate curve resolution with alternating least squares (MCR ALS) to quantify the content of methyl palm oil biodiesel in diesel blends and determine the concentration of the adulterant automotive lubricating oil in the blend. The model for quantifying biodiesel in diesel obtained R2 = 0.9997, root mean square error of calibration (RMSEC) = 0.56% (v v-1) and prediction (RMSEP) = 0.65% (v v-1), while the determination of adulteration in the biodiesel-diesel blend showed RMSEC = 0.67% (v v-1), RMSEP = 0.81% (v v-1) and R2 = 0.9992. These results demonstrate the ability of the models developed to predict both the content and quantity of possible adulterants in blends of palm oil biodiesel and mineral diesel, contributing to the quality control of this fuel. CO rise problem impact Brazil however detected effects Therefore MCR ALS R 09997 0 9997 0.9997 (RMSEC 056 56 0.56 v v1 1 v-1 (RMSEP 065 65 0.65 v1, , biodieseldiesel 067 67 0.67 081 81 0.81 09992 9992 0.9992 fuel 0999 999 0.999 05 5 0.5 v- 06 6 0.6 08 8 0.8 099 99 0.99 0. 09 9 0.9

ABSTRACT Purpose: To evaluate the predictive value of initial intraocular pressure difference of the detached and fellow eyes of patients with complex rhegmatogenous retinal detachment on postoperative persistent ocular hypotony. Methods: This retrospective observational study included 538 eyes of 538 unilateral complex rhegmatogenous retinal detachment patients with a proliferative vitreoretinopathy grade of C-1 or higher, treated with silicone oil endotamponade following pars plana vitrectomy. The patients were divided into Group A (patients having silicone oil removal without ocular hypotony; n=504) and Group B (patients with persistent ocular hypotony following silicone oil removal [n=8, 23.5%] and with retained silicone oil [n=26, 76.5%] due to the risk of persistent ocular hypotony; total n=34). Ocular hypotony was defined as an intraocular pressure of <6 mmHg on two or more occasions. Patients’ demographics, including age, sex, and follow-up time, and ocular characteristics, including ocular surgical and trauma history, initial and final best-corrected visual acuity, intraocular pressure and initial intraocular pressure difference of the detached and fellow eyes, and anatomical success rates and postoperative complications, were retrospectively collected from the electronic patient files. Results: The initial intraocular pressure was significantly lower in the detached eyes of Group B than in Group A (8.3 ± 3.5 vs. 12.9 ± 3.3, p<0.001). Also, the initial intraocular pressure difference was significantly higher in Group B than in Group A (8.9 ± 3.2 vs. 2.2 ± 2.7mmHg, p<0.001). The receiver operating characteristic curve analysis showed that the cutoff value of the initial intraocular pressure difference was 7.5mmHg for the risk of persistent ocular hypotony. The most influential factors on postoperative persistent ocular hypotony in the binary logistic regression analysis were the initial intraocular pressure difference and the need for a retinectomy. Conclusion: In eyes with complex rhegmatogenous retinal detachment treated with pars plana vitrectomy and silicone oil tamponade, the initial intraocular pressure difference could be of value in predicting postoperative persistent ocular hypotony and could guide surgeons on the decision of silicone oil removal. Purpose Methods 53 C1 C 1 C- n=504 n504 n 504 n=8, n8 8 [n=8 23.5% 235 23 5 n=26, n26 26 [n=26 76.5% 765 76 n=34. n34 n=34 . 34 n=34) 6 < occasions Patients demographics age sex followup follow up time characteristics history bestcorrected best corrected acuity complications files Results 8.3 83 3 (8. 35 3. vs 129 12 9 12. 33 3.3 p<0.001. p0001 p p<0.001 0 001 p<0.001) Also 8.9 89 32 2 22 2. 27mmHg 7mmHg 2.7mmHg 75mmHg 7 5mmHg retinectomy Conclusion tamponade n=50 n50 50 n=8 [n= 23.5 n=26 n2 [n=2 76.5 n3 n=3 8. (8 p000 p<0.00 00 n=5 n5 n= [n 23. n=2 76. ( p00 p<0.0 p0 p<0. p<0 p<

The present study analyzed the chemical composition and phytotoxic activity of Artemisia lancea essential oil (EO). Gas chromatography-mass spectrometry (GC-MS) results showed the presence of 55 compounds, representing 82.36% of the entire EO, with eucalyptol (18.7%) being the most abundant constituent. Phytotoxic bioassay results indicated that the EO (concentration ranging from 0.25-5 mg mL−1) inhibited the growth of Amaranthus retroflexus and Setaria viridis. Root length of A. retroflexus and S. viridis were reduced with the increasing concentration of the EO, especially when the EO was applied at 1-5 mg mL−1. When treated with 1-5 mg mL−1 EO, shoot length of A. retroflexus and S. viridis were also significantly suppressed. The half maximal inhibitory concentration (IC50) values for inhibiting root and shoot growth of A. retroflexus by the EO were 0.284 and 0.246 mg mL−1; for S. viridis, the EO showed IC50 values of 0.44 and 0.262 mg mL−1 for root and shoot inhibition, respectively. The most promising findings were observed when A. lancea EO concentration reached 1 mg mL−1 and higher, which completely inhibited seed germination of A. retroflexus and S. viridis. These findings suggest A. lancea EO has potential as an eco-friendly bioherbicide for agricultural weed control. EO. . (EO) chromatographymass chromatography mass GCMS GC MS (GC-MS 5 compounds 8236 82 36 82.36 18.7% 187 18 7 (18.7% constituent 0.255 0255 0.25 0 25 0.25- mL1 mL A S 15 1- mL− suppressed IC (IC50 0284 284 0.28 0246 246 0.24 IC5 044 44 0.4 0262 262 0.26 inhibition respectively higher ecofriendly eco friendly control (EO 823 8 3 82.3 18.7 (18.7 255 025 0.2 2 (IC5 028 28 024 24 04 4 0. 026 26 82. 18. (18. 02 (IC (18 (1 (

The present work aims to extract and test cashew nut peel oil as a natural antioxidant in the oxidative stabilization of biodiesel. Therefore, determinations of the ideal time of Soxhlet and thermal extractions, Fourier transform infrared spectroscopy (FTIR) analyses, and evaluation of the oxidative stability by Rancimat method were carried out. FTIR analyses revealed that the 3rd cycle of extraction was sufficient to extract all the oil, with an average yield of 30.0%. For the thermal extraction of the laboratory technical cashew nut peel oil, the best extraction, based on statistical analysis, was 60 min, yielding 20.0%. The FTIR analysis of the extracted cashew nut peel oil showed characteristic peaks of phenolic groups and organic acids, showing differences in the intensities of the absorption bands. The oxidative stability showed induction period of 8 h 40 min for the hydraulic press extraction, 10 h 35 min for the Soxhlet extraction, and 10 h 65 min for the industrial technical extraction of the cashew nut peel oil. All values were below the 12-h limit established by the National Agency for Petroleum, Natural Gas and Biofuels (ANP). The technical cashew nut peel oil extracted in the laboratory presented an induction period of 11 h 12 min, close to that recommended by ANP, proving to be a promising natural antioxidant. Cardanol presented satisfactory results with 25 h 22 min, double that suggested by ANP. Thus, cashew nut peel oil showed important and promising results as a natural antioxidant for biodiesel. biodiesel Therefore extractions (FTIR out rd 300 30 0 30.0% 6 200 20 20.0% acids bands 4 1 3 12h Petroleum ANP . (ANP) 2 Thus 30.0 20.0 (ANP 30. 20.

Asphaltenes are complex molecules with a tendency to aggregate. This property can be an issue for the oil industry due to CO2 reinjection into reservoirs to mitigate these gas emissions. The present theoretical study aimed to study the CO2 interaction with no-substitute and substituted coronene as an asphaltene model compound at CAM-B3LYP-D3/6-311G(d,p) level. The electronic properties were evaluated using harmonic oscillator model of aromaticity (HOMA), quantum theory of atoms in molecules (QTAIM), and reduced density gradient (RDG) methods. The results showed that the coronene’s functionalization by a sulfur atom changes the coronene’s electronic structure. However, functionalization does not change the type of interactions between the monomers, as they remain predominantly van der Waals interactions. CO2 interaction with substituted coronene barely changed due to the presence of sulfur atoms. However, in dimers, the position of the heteroatom directly influences the interaction with CO2, although it is insufficient to change the interaction’s magnitude. For this reason, our results indicate that the sulfur heteroatom in asphaltenes should be addressed. However, new studies must be conducted by increasing the number of substituents, CO2 numbers, and the model size. aggregate CO emissions nosubstitute no substitute CAMB3LYPD3/6311Gd,p CAMB3LYPD36311Gdp CAMBLYPDGdp CAM B3LYP D3/6 311G d,p D3 6 d p B LYP D G CAM-B3LYP-D3/6-311G(d,p level HOMA, HOMA , (HOMA) QTAIM, QTAIM (QTAIM) RDG (RDG methods coronenes s structure However monomers dimers magnitude reason addressed substituents numbers size CAMB3LYPD3 6311Gd CAMB LYPD Gd Gdp BLYP D36 D3/ dp (HOMA (QTAIM CAMBLYPD CAMB3LYPD

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 ( -

This study highlights the synthesis of innovative polyurethane materials derived from Moringa oleifera oils extracted from two distinct sources. The oils were converted into their respective polyols through the in situ generated performic acid method. Diverse material characteristics were observed due to different agroclimatic and cultivation conditions for the sources. Extraction yields were 45.21% (source 1) and 40.32% (source 2), with acid values of 28.70 and 26.00 mg KOH per g of oil, respectively. Oleic acid constituted 79.87 and 67.11% of the oils composition, respectively. Nuclear magnetic resonance and Fourier transform infrared spectroscopy (FTIR) confirmed the hydroxylation of the oils. FTIR also identified the isocyanate structures in the synthesized polyurethane materials. Gel permeation chromatography analysis revealed a higher oligomer content in the polyol synthesized from the oil extracted from source 2. Thermogravimetric analysis demonstrated enhanced thermal stability post-oil conversion, highlighting decomposition stages for rigid and flexible segments. Differential scanning calorimetry indicated higher unsaturation in the oil extracted from source 1, resulting in an elevated crystallization temperature. Tensile testing showed increased elasticity as the [NCO]/[OH] ratio decreased in the material, emphasizing the influence of polyol and crosslinking agent concentrations on mechanical resistance of polyurethane materials. sources method 4521 45 21 45.21 1 4032 40 32 40.32 2, 2 , 2) 2870 28 70 28.7 2600 26 00 26.0 respectively 7987 79 87 79.8 6711 67 11 67.11 composition (FTIR postoil post conversion segments temperature NCO/OH NCOOH NCO / OH [NCO]/[OH 452 4 45.2 403 3 40.3 287 7 28. 260 0 26. 798 8 79. 671 6 67.1 45. 40. 67.

This work aimed to incorporate the active compounds of the jambolan leaf in sunflower seed oil, in order to increase the nutritional quality of the oil. For this purpose, ultrasound-assisted extraction was conducted to establish the process conditions related to temperature, potency, solvent:sample ratio and time to obtain the enriched sunflower seed oil (ESSO). An experimental design was applied to examine the effect of variables (temperature, power, solvent:sample ratio and time) on the extraction mass yield (EMY). The application of maximum temperature, increased power, sample:solvent ratio and time resulted in higher EMY. Maximum theoretical EMY value was 35.16% (60 °C, 100%, 1:12 g mL-1 and 15 min). The characterization of the oils obtained from ESSO and sunflower seed oil (SSO) verified a higher content of flavonoids, phenolic compounds, a large proportion of active compounds, antioxidant activity, content of phytosterols, α-tocopherol and squalene, and induction time for ESSO. purpose ultrasoundassisted ultrasound assisted temperature potency solventsample solvent sample . (ESSO) (temperature power (EMY) samplesolvent 3516 35 16 35.16 60 (6 C °C 100 100% 112 1 12 1:1 mL1 mL mL- min. min min) SSO (SSO flavonoids activity phytosterols αtocopherol α tocopherol squalene (ESSO (EMY 351 3 35.1 6 ( 10 11 1: 35.

The essential oil extracted from Anemia tomentosa (EOAT) has shown larvicidal potential against Aedes aegypti, based on methods in vitro and in silico. Chromatographic and spectrometric techniques (gas chromatography-mass spectrometry (CG-MS), gas chromatography-flame ionization detector (GC-FID)), as well as mono and bidimensional nuclear magnetic resonance spectroscopy (NMR) were used to assess 10 essential oil components. Chemical composition of essential oil comprised 87.51% sesquiterpenes, with emphasis on presilphiperfolan-1-ol (42.13%) and silphiperfol-5-ene (19.47%). Larvicidal assay conducted in vitro with EOAT has evidenced potential cytotoxic activity up to 48 h exposure to it; mortality rate observed for A. aegypti larvae exposed to essential oil reached 100%. Study conducted in silico with chemical compounds deriving from the herein investigated plant species has evidenced its potential to inhibit acetylcholinesterase in A. aegypti. Activity of triquinane sesquiterpenes ranging from -6.8 to -8.2 kcal mol-1 stood out in comparison to that of temephos (-7.5 kcal mol-1). Chemical compounds identified in the investigated essential oil presented low human and environmental toxicity, as observed in absorption, distribution, metabolism and excretion, and toxicity (ADMETox) predictions. (EOAT chromatographymass chromatography mass CGMS, CGMS CG MS , (CG-MS) chromatographyflame flame GCFID, GCFID GC FID (GC-FID)) NMR (NMR 1 components 8751 87 51 87.51 presilphiperfolan1ol presilphiperfolanol presilphiperfolan ol 42.13% 4213 42 13 (42.13% silphiperfol5ene silphiperfolene silphiperfol 5 ene 19.47%. 1947 19.47% . 19 47 (19.47%) 4 it A 100 100% 6.8 68 6 8 -6. 8.2 82 2 -8. mol1 mol mol- 7.5 75 7 (-7. mol1. mol-1) absorption distribution excretion ADMETox (ADMETox predictions (CG-MS (GC-FID) 875 87.5 42.13 421 (42.13 194 19.47 (19.47% 6. -6 8. -8 7. (-7 (GC-FID 87. 42.1 (42.1 19.4 (19.47 - (- 42. (42. 19. (19.4 ( (42 (19. (4 (19 (1

ABSTRACT Essential oils used as bioherbicides are a promising alternative in agriculture. This study aimed to assess the phytotoxic potential of Piper marginatum essential oil through an in vitro study with detached and post-emergence leaves of three commercial species (lettuce, pepper, and tomato) and a weed (Spermacoce verticillata). The experiments were conducted in a randomized design with six treatments that consisted of four concentrations of essential oil (0.001, 0.01, 0.1, and 1% [v/v]) and two control treatments (distilled water, and 1% polysorbate 80 in distilled water). The P. marginatum essential oil had a phytotoxic effect on the leaves of the experimental species. The highest essential oil concentration resulted in greater toxicity effects on tomato, lettuce, and pepper leaves. The 0.1% essential oil concentration completely destroyed the S. verticillata leaves. Seven days after application, the P. marginatum essential oil did not show adverse effects on plant growth in the post-emergence phase. It is recommended to investigate its possible phytotoxic activity in other phases of plant development to understand its mode of action and potential as an alternative to developing bioproducts for weed control. agriculture postemergence post emergence lettuce (lettuce tomato Spermacoce verticillata. . verticillata) 0.001, 0001 0 001 (0.001 01 0.01 1 0.1 v/v vv v [v/v] water 8 water. water) P S application phase 0.001 000 00 (0.00 0.0 0. [v/v 0.00 (0.0 (0. (0 (

RESUMO Óleos essenciais usados como bioherbicidas são uma alternativa promissora na agricultura. O objetivo deste trabalho foi avaliar o potencial fitotóxico do óleo essencial de Piper marginatum, através de estudo in vitro com folhas destacadas e em pós-emergência de três espécies comerciais (alface, pimentão e tomate) e uma planta daninha (Spermacoce verticillata). Os experimentos foram conduzidos em delineamento casualizado com seis tratamentos que consistiram em quatro concentrações de óleo essencial (0,001; 0,01; 0,1 e 1% [v/v]), e dois tratamentos controle (água destilada, e 1% de polissorbato 80 em água destilada). O óleo essencial de P. marginatum apresentou efeito fitotóxico sobre as folhas das espécies experimentais. A maior concentração de óleo essencial resultou em maiores efeitos de toxicidade nas folhas de tomate, alface e pimentão. A concentração de 0,1% de óleo essencial foi suficiente para destruir completamente as folhas de S. verticillata. Sete dias após a aplicação, o óleo essencial de P. marginatum não evidenciou efeitos adversos no crescimento das plantas na fase pós-emergencial. Recomenda-se investigar sua possível atividade fitotóxica em outras fases do desenvolvimento vegetal, para entender o seu modo de ação e potencial como alternativa no desenvolvimento de bioprodutos para controle de plantas daninhas. agricultura pósemergência pós emergência alface, (alface tomate Spermacoce verticillata . verticillata) 0,001 0001 0 001 (0,001 0,01 01 1 0, v/v, vv v/v , v [v/v]) destilada 8 destilada. destilada) P experimentais S aplicação pósemergencial. pósemergencial emergencial. emergencial pós-emergencial Recomendase Recomenda se vegetal daninhas 0,00 000 00 (0,00 0,0 [v/v] (0,0 [v/v (0, (0 (