Fruits of Schinus terebinthifolia Raddi were investigated. A fast and efficient method for the simultaneous determination of 11 polyphenolic substances by high performance liquid chromatography-diode array detector (HPLC-DAD) was applied. Limits of quantification ranged between 0.78 and 3.14 mg L-1. High concentrations of kaempferol were found. An exploratory evaluation was performed using principal component analysis (PCA) for fruit origin differentiation. Total phenolic content (TPC) ranged from 274 to 517 mg GAE 100 g-1; total flavonoid content (TFC) ranged from 101 to 283 mg QE 100 g-1. In vitro analyses showed that antioxidant capacity with 2,2-diphenyl-1-picrylhydrazyl (DPPH) ranged from 1.7 to 7 µM DPPH 100 g-1. The bacteriostatic and bactericidal effect were also evaluated against: Bacillus subtilis, B. cereus, Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa, Salmonella choleraesuis, Candida albicans and C. glabrata, using broth microdilution assay. It can be inferred that S. terebinthifolia Raddi fruit has the potential to act as an ally in the search for new alternatives in the action against pathogens, and it can be used as a potential natural antioxidant and antimicrobial agent. Metals (Cu, Fe, Mg, Mn and Zn) were also determined by flame atomic absorption spectrometry (FAAS), with emphasis on high concentrations of Mg, Zn and Fe. investigated 1 chromatographydiode chromatography diode HPLCDAD HPLC DAD (HPLC-DAD applied 078 0 78 0.7 314 3 14 3.1 L1. L1 L 1. L-1 found PCA (PCA differentiation TPC (TPC 27 51 10 g1 g g-1 TFC (TFC 28 g1. 2,2diphenyl1picrylhydrazyl 22diphenyl1picrylhydrazyl diphenylpicrylhydrazyl 2,2 diphenyl picrylhydrazyl 2 (DPPH 17 subtilis B cereus aureus coli aeruginosa choleraesuis C glabrata assay S pathogens agent Cu, Cu (Cu Fe Mg FAAS, FAAS , (FAAS) 07 0. 31 3. L- 5 g- 2diphenyl1picrylhydrazyl 22 2, (FAAS

Phosphate species can affect aquatic ecosystems, as excess of this nutrient can cause eutrophication, generating environmental impacts. Lamellar double hydroxides have shown promise in removing phosphate at low concentrations (10-50 mg L 1). In this context, lamellar double hydroxides were synthesized interspersed with nitrates and humic substances, searching for a new product that favors phosphorus adsorption. X-ray diffraction showed the presence of characteristic peaks of lamellar double hydroxides and thermogravimetric analysis showed the decomposition behavior of lamellar structure. The adsorption capacity occurred quickly (< 30 min), being more efficient for lamellar double hydroxides with NO3. The maximum adsorption capacity showed results of 35.03 and 44.20 mg g 1 for lamellar double hydroxides with humic substances and lamellar double hydroxides with NO3, respectively. The complexation capacity showed that pH directly influences complexation, being greater for lamellar double hydroxides with humic substances at pH 6.5. Thus, nanostructured materials with humic substances are promising for use in contaminant remediation and adsorption can be a fast and efficient technique for use in soil and water. ecosystems eutrophication impacts 1050 10 50 (10-5 1. . 1) context Xray X ray structure < ( 3 min, min , min) NO3 NO 3503 35 03 35.0 4420 44 20 44.2 respectively 65 6 5 6.5 Thus water 105 (10- 350 0 35. 442 4 2 44. 6. (10 (1

This study aimed to isolate, purify and characterize secondary metabolites present in Amburana acreana leaves, native to the state of Rondônia, using classical chromatographic methods and 1D, 2D nuclear magnetic resonance spectroscopy. From the hydroethanolic leaves extract of A. acreana, p-hydroxybenzoic acid, vanillic acid, coumarin, campesterol 3-β-D-glucoside and amburoside B, all known compounds, were identified. To the best of our knowledge, this is the first report of isolation and chemical characterization of secondary metabolites in A. acreana. In addition, in vitro assays indicated that amburoside B does not have inhibitory potential on the growth of gram-negative bacteria. The presence of these compounds suggests that, thus far, amburosides (A and B) could be chemotaxonomic markers of the genus Amburana. isolate Rondônia 1D D spectroscopy A phydroxybenzoic p hydroxybenzoic acid coumarin 3βDglucoside βDglucoside 3 β glucoside identified knowledge addition gramnegative gram negative bacteria far

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 (

ABSTRACT Purpose: This study aimed to compare the safety and effectiveness of intraocular pressure reduction between micropulse transscleral cyclophotocoagulation and “slow cook” transscleral cyclophotocoagulation in patients with refractory primary open-angle glaucoma. Methods: We included patients with primary open angle glaucoma with at least 12 months of follow-up. We collected and analyzed data on the preoperative characteristics and postoperative outcomes. The primary outcomes were a reduction of ≥20% of the baseline value (criterion A) and/or intraocular pressure between 6 and 21 mmHg (criterion B). Results: We included 128 eyes with primary open-angle glaucoma. The preoperative mean intraocular pressure was 25.53 ± 6.40 and 35.02 ± 12.57 mmHg in the micropulse- and “slow cook” transscleral cyclophotocoagulation groups, respectively (p<0.001). The mean intraocular pressure was reduced significantly to 14.33 ± 3.40 and 15.37 ± 5.85 mmHg in the micropulse- and “slow cook” transscleral cyclophotocoagulation groups at the last follow-up, respectively (p=0.110). The mean intraocular pressure reduction at 12 months was 11.20 ± 11.46 and 19.65 ± 13.22 mmHg in the micropulse- and “slow cook” transscleral cyclophotocoagulation groups, respectively (p<0.001). The median preoperative logMAR visual acuity was 0.52 ± 0.69 and 1.75 ± 1.04 in the micropulse- and “slow cook” transscleral cyclophotocoagulation groups, respectively (p<0.001). The mean visual acuity variation was −0.10 ± 0.35 and −0.074 ± 0.16 in the micropulse- and “slow cook” transscleral cyclophotocoagulation, respectively (p=0.510). Preoperatively, the mean eye drops were 3.44 ± 1.38 and 2.89 ± 0.68 drugs in the micropulse- and “slow cook” transscleral cyclophotocoagulation groups, respectively (p=0.017), but those were 2.06 ± 1.42 and 1.02 ± 1.46 at the end of the study in the “slow cook” and micropulse transscleral cyclophotocoagulation groups, respectively (p<0.001). The success of criterion A was not significant between both groups. Compared with 11 eyes (17.74%) in the “slow cook” transscleral cyclophotocoagulation group, 19 eyes (28.78%) in the micropulse transscleral cyclophotocoagulation group showed complete success (p=0.171). For criterion B, 28 (42.42%) and 2 eyes (3.22%) showed complete success after micropulse- and “slow cook” transscleral cyclophotocoagulation, respectively (p<0.001). Conclusion: Both techniques reduced intraocular pressure effectively. Purpose slow cook openangle Methods 1 followup. followup follow up. up follow-up 20 ≥20 andor or B. B . B) Results 2553 25 53 25.5 640 40 6.4 3502 35 02 35.0 1257 57 12.5 p<0.001. p0001 p p<0.001 0 001 (p<0.001) 1433 14 33 14.3 340 3 3.4 1537 15 37 15.3 585 5 85 5.8 followup, up, p=0.110. p0110 p=0.110 110 (p=0.110) 1120 11.2 1146 46 11.4 1965 65 19.6 1322 13 22 13.2 052 52 0.5 069 69 0.6 175 75 1.7 104 04 1.0 010 10 −0.1 035 0.3 0074 074 −0.07 016 16 0.1 p=0.510. p0510 p=0.510 510 (p=0.510) Preoperatively 344 44 138 38 1.3 289 89 2.8 068 68 p=0.017, p0017 p=0.017 , 017 (p=0.017) 206 06 2.0 142 42 1.4 102 146 17.74% 1774 17 74 (17.74% 28.78% 2878 78 (28.78% p=0.171. p0171 p=0.171 171 (p=0.171) 42.42% 4242 (42.42% 3.22% 322 (3.22% Conclusion effectively ≥2 255 25. 64 4 6. 350 35. 125 12. p000 p<0.00 00 (p<0.001 143 14. 34 3. 153 15. 58 8 5. p011 p=0.11 (p=0.110 112 11. 114 196 19. 132 13. 05 0. 7 1. 01 −0. 03 007 07 −0.0 p051 p=0.51 51 (p=0.510 2. p001 p=0.01 (p=0.017 17.74 177 (17.74 28.78 287 (28.78 p017 p=0.17 (p=0.171 42.42 424 (42.42 3.22 32 (3.22 ≥ p00 p<0.0 (p<0.00 p01 p=0.1 (p=0.11 −0 p05 p=0.5 (p=0.51 p=0.0 (p=0.01 17.7 (17.7 28.7 (28.7 (p=0.17 42.4 (42.4 3.2 (3.2 p0 p<0. (p<0.0 p=0. (p=0.1 − (p=0.5 (p=0.0 17. (17. 28. (28. 42. (42. (3. p<0 (p<0. p=0 (p=0. (17 (28 (42 (3 p< (p<0 p= (p=0 (1 (2 (4 ( (p< (p= (p

Even though ammonia is a natural component of aquatic environments, elevated concentrations indicate pollution and environmental degradation. Consequently, efficient analytical methods for monitoring ammonia levels are crucial for preserving water quality. Voltammetry offers a sustainable approach for NH3 quantification, combining good analytical performance with low sample and reagent consumption, minimizing waste generation. However, despite these advantages, the voltammetric determination of ammonia remains relatively unexplored. Therefore, this study investigated the electrochemical behavior of NH3 in alkaline solutions using a non-modified Pt electrode and evaluated the performance of differential pulse voltammetry (DPV) and square wave voltammetry (SWV) for NH3 determination. DPV provided superior performance, with limits of detection and quantification of 0.79 µmol L-1 (0.011 ppmN) and 2.6 µmol L-1 (0.036 ppmN), respectively, which comply with the maximum allowable ammonia concentration in natural waters according to Brazilian and European regulations. The voltammetric method successfully quantified ammonia in tap and river water samples, providing results concordant with the established Berthelot spectrophotometric method, at a 95% confidence level. Additionally, it is simple and fully accessible to non-electrochemist since no sophisticated procedures for electrode modification are needed. Finally, the high analytical performance of the proposed method makes it valuable for pollution monitoring in aquatic environments. environments degradation Consequently quality NH consumption generation However advantages unexplored Therefore nonmodified non modified (DPV SWV (SWV 079 0 79 0.7 L1 L 1 L- 0.011 0011 011 (0.01 ppmN 26 2 6 2. 0.036 0036 036 (0.03 ppmN, , respectively regulations samples 95 level Additionally nonelectrochemist electrochemist needed Finally 07 7 0. 0.01 001 01 (0.0 0.03 003 03 9 0.0 00 (0. (0 (

In silico and in vitro tests can reveal promising anti-leishmania activity for natural products and their derivatives. The aim of this study was to investigate in silico the pharmacological activities of potential new chalcones and their leishmanicidal potential in vitro. The in silico study was carried out using the PASS, MolPredictX and Molegro Virtual Docker 6.0 programs. Antiparasitic activity was assessed in axenic promastigote and amastigote forms of Leishmania braziliensis. The cytotoxicity tests used the J77G8 cell line. The chalcones exhibited 50% cytotoxic concentration values (CC50) values > 50 μM. Chalcone 4 (named FERAI) presented the best activity with concentration for 50% of promastigotes and intracellular parasites forms (EC50) of 9.75 ± 1.7 and 10.13 ± 1.7 μM for promastigote and amastigote, respectively. Reactive oxygen species (ROS) testing presented increased ROS levels in the parasite at the FERAI concentrations of 10 μM (56.33%), 20 μM (61.76%) and 30 μM (67.13%). Molecular docking revealed interactions (binding energy) between FERAI and the enzymes UDP-glycosyl pyrophosphorylase (-56.8384), dihydroorotate-dehydrogenase (-132.276) and trypanothione-reductase (-151.281). Our results demonstrated the anti-leishmanial activity of chalcones, especially FERAI, with a noted raising of ROS levels in the parasite. Molecular docking revealed dihydroorotate dehydrogenase and trypanothione reductase as potential pharmacological targets for FERAI. antileishmania anti leishmania derivatives PASS 60 6 0 6. programs braziliensis JG J G J77G line CC50 CC (CC50 5 named EC50 EC (EC50 975 9 75 9.7 17 1 7 1. 1013 13 10.1 respectively (ROS 56.33%, 5633 56.33% , 56 33 (56.33%) 2 61.76% 6176 61 76 (61.76% 3 67.13%. 6713 67.13% . 67 (67.13%) binding energy UDPglycosyl UDP glycosyl 56.8384, 568384 56.8384 8384 (-56.8384) dihydroorotatedehydrogenase 132.276 132276 132 276 (-132.276 trypanothionereductase 151.281. 151281 151.281 151 281 (-151.281) antileishmanial leishmanial CC5 (CC5 EC5 (EC5 97 9. 101 10. 563 56.33 (56.33% 61.76 617 (61.76 671 67.13 (67.13% 56838 56.838 838 (-56.8384 132.27 13227 27 (-132.27 15128 151.28 15 28 (-151.281 (CC (EC 56.3 (56.33 61.7 (61.7 67.1 (67.13 5683 56.83 83 (-56.838 132.2 1322 (-132.2 1512 151.2 (-151.28 56. (56.3 61. (61. 67. (67.1 568 56.8 8 (-56.83 132. (-132. 151. (-151.2 (56. (61 (67. (-56.8 (-132 (-151. (56 (6 (67 (-56. (-13 (-151 (5 ( (-56 (-1 (-15 (-5 (-

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 ( -

In this study, we aimed to investigate the anticancer activity of the extract, fractions, and isolated compounds of the flowers of Fridericia platyphylla, and to characterize the bioactive compounds. The chemical diversity of the extracts and fractions was investigated using liquid chromatography coupled with high resolution mass spectrometry (LC-HRMS). We were able to annotate 26 compounds from the classes of flavones, flavonols, flavanones, isoflavones, and cinnamic acid and its derivatives. The dichloromethane fraction showed greater cytotoxicity at a concentration of 100 µg mL−1. In addition, the inhibitory concentrations of the dichloromethane fraction were 22.14 and 30.9 µg mL−1 for MCF-7 and MDA-MB-231 cell lines, respectively, and were capable of inhibiting tumor cell migration. Brachydins A and C were isolated from the dichloromethane fraction and showed the greatest cytotoxicity. The results obtained from this study show the potential biological effect of F. platyphylla flowers as a possible antitumor pharmacological agent. extract LCHRMS. LCHRMS LC HRMS . (LC-HRMS) 2 flavones flavonols flavanones isoflavones derivatives 10 mL1 mL 1 addition 2214 22 14 22.1 309 30 9 30. mL− MCF7 MCF 7 MCF- MDAMB231 MDAMB MDA MB 231 MDA-MB-23 lines respectively migration F agent (LC-HRMS 221 22. 3 MDAMB23 23 MDA-MB-2 MDAMB2 MDA-MB- MDA-MB

RESUMO O consumo de dióxido de carbono atmosférico pelo intemperismo tampona o efeito estufa na Terra em escala de tempo geológica. Esse mecanismo é chamado de sumidouro de carbono de silicato (SCS). Saprolito representa parte da frente de intemperismo do manto terrestre, mas historicamente não recebeu muita atenção dos geocientistas. Em escala global, o Brasil é o maior contribuinte para o SCS e o quarto maior contribuinte em número de publicações sobre saprolito. Neste estudo, a produção científica brasileira sobre o assunto de 1990 a 2022 foi avaliada, considerando publicações indexadas nas bases de dados Web of Science, SciELO e Scopus. Foram recuperados cento e oitenta artigos científicos. Na última década, sete artigos foram publicados por ano. Ao longo dos 32 anos considerados, o número de artigos sobre saprolito aumentou. A maioria dos estudos foi concentrada na região sudeste do Brasil, onde o estado de Minas Gerais liderou em termos de número de publicações (28,49%). As principais áreas em que os artigos foram publicados estavam relacionadas à ecologia, Terra e marinha; no entanto, foram citados por várias outras, incluindo as áreas de saúde e política. Uma comparação do número de publicações por bacia e o tamanho do SCS mostrou que havia menos estudos da Bacia Amazônica do que da Bacia do Paraná. Em conclusão, a fronteira geográfica para o estudo do saprolito no território brasileiro é a Bacia do Rio Amazonas, e a fronteira metodológica está relacionada à dinâmica de fluídos/gases e ao papel dos micróbios no intemperismo em profundidade. geológica SCS. . (SCS) terrestre geocientistas global 199 202 avaliada Science Scopus científicos década ano 3 considerados aumentou 28,49%. 2849 28,49% 28 49 (28,49%) ecologia marinha entanto outras política Paraná conclusão Amazonas fluídosgases fluídos gases profundidade (SCS 19 20 284 28,49 2 4 (28,49% 1 28,4 (28,49 28, (28,4 (28, (28 (2 (

ABSTRACT The consumption of atmospheric carbon dioxide by weathering buffers the greenhouse effect on Earth on a geological timescale. This mechanism is called the silicate carbon sink (SCS). Saprolite represents part of the weathering front of the Earth’s mantle, but historically, it has not received much attention from geoscientists. On a global scale, Brazil is the largest contributor to the SCS and the fourth largest contributor to the number of saprolite publications. In this study, Brazilian scientific production on the subject from 1990 to 2022 was assessed, considering publications indexed in the Web of Science, SciELO and Scopus databases. One hundred-eighty scientific articles were retrieved. In the last decade, seven articles were published per year. Over the 32 years under consideration, the number of articles on saprolite has increased. Most of the studies were concentrated in the southeastern region of Brazil, where the state of Minas Gerais led in terms of the number of publications (28.49%). The main areas in which the articles were published were related to ecology, Earth, and marine; however, they were cited by several others, including the areas of health and politics. A comparison of the number of publications per basin and the size of the SCS showed that there were fewer studies from the Amazon Basin than from the Paraná Basin. In conclusion, the geographical frontier for the study of saprolite in the Brazilian territory is the Amazon River Basin, and the methodological frontier is related to fluid/gas dynamics and the role of microbes in weathering at depth. timescale SCS. . (SCS) Earths s mantle historically geoscientists scale 199 202 assessed Science databases hundredeighty hundred eighty retrieved decade year 3 consideration increased 28.49%. 2849 28.49% 28 49 (28.49%) ecology marine however others politics conclusion fluidgas fluid gas depth (SCS 19 20 284 28.49 2 4 (28.49% 1 28.4 (28.49 28. (28.4 (28. (28 (2 (

RESUMO O balanço hídrico é uma ferramenta com diversas aplicações na agricultura, incluindo a avaliação da adequação de um ambiente para o cultivo de uma determinada cultura, através da compreensão de como os recursos hídricos operam no sistema. Esta informação é vital para determinar se a água disponível satisfaz a necessidade da cultura. Assim, objetivou-se calcular o balanço hídrico em um Argissolo Vermelho-Amarelo para o cultivo de Coffea canephora no município de Cruzeiro do Sul, Acre, utilizando uma série histórica de 36 anos para avaliar o potencial e as restrições da cultura de acordo com a água disponível. Os resultados mostraram que, de forma geral, o cultivo de Coffea canephora é adequado para a região de estudo. Os períodos de déficit hídrico e de excesso de água são bem definidos, ocorrendo de abril a agosto e de setembro a março, respectivamente. Verificou-se que apenas a fase de floração do cafeeiro coincide com o período de déficit hídrico na região, exigindo assim irrigação para evitar comprometer essa etapa do desenvolvimento do fruto. Em relação ao Indice de Satisfação da Necessidade de Água (ISNA), observou-se que, quando calculado em uma escala mensal, indica baixo risco climático para o cultivo de Coffea canephora na região. No entanto, quando calculado em uma escala diária, o ISNA indica risco climático médio a alto para o cultivo durante vários períodos. O ISNA mostrou ser uma ferramenta adequada para a tomada de decisão quanto à adoção de técnicas de irrigação. agricultura sistema Assim objetivouse objetivou VermelhoAmarelo Vermelho Amarelo Sul Acre 3 geral estudo definidos março respectivamente Verificouse Verificou fruto ISNA, , (ISNA) observouse observou mensal entanto diária (ISNA

ABSTRACT Water balance is a tool that has various applications in agriculture, including assessing whether an environment is suitable for growing a specific crop by providing information on how water resources function in the system. This information is essential for determining whether the available water satisfies the crop’s demand. Thus, the objective of this work was to calculate the water balance of Typic Hapludults for growing coffee (Coffea canephora) crops in Cruzeiro do Sul, Acre, Brazil, using a 36-year historical series to assess the potential and limitation of the crop according to the water availability. The results showed that coffee crops are, in general, suitable for growing in the study region. Water deficit and water surplus periods are well-defined, from April to August and September to March, respectively. Flowering was the only stage of coffee crops that coincides with the water deficit period in the region; thus, irrigation is necessary to prevent compromising this stage and fruit development. The Water Requirement Satisfaction Index (WRSI), calculated on a monthly basis, indicates a low climate risk for coffee crops in the region. However, when calculated on a daily basis, the WRSI shows a medium to high climate risk for coffee crops in several periods. The WRSI proved to be an adequate tool for assisting in decision-making regarding the adoption of irrigation. agriculture system s demand Thus Coffea canephora Sul Acre Brazil 36year year 36 availability general region welldefined, welldefined well defined, defined well-defined March respectively thus development WRSI, , (WRSI) basis However decisionmaking decision making 3 (WRSI

Computational predictive approaches present themselves as an attractive alternative in the search for new compounds that may present toxic or growth regulatory activity in Aedes aegypti. Aspergillus species is a producer of secondary metabolites with diverse biological activities. In this study, it was possible to evaluate the pharmacokinetic and toxicological properties in silico, as well as the prediction of the insecticidal biological activities of the juvenile hormone of natural substances produced by the genus Aspergillus. Initially, 187 molecules were cataloged from various species of Aspergillus spp., and only seven molecules of indole alkaloids were found to exhibit a toxic dose 50% (TD50) after conducting toxicity predictions. The molecular dynamic simulation trajectories were utilized to study parameters such as root mean square deviation, root mean square fluctuation, radius of gyration and intermolecular hydrogen bond to understand the behavior and stability of proposed compounds in the binding pocket of the target protein. The N-β-acetyltryptamine molecule showed a binding affinity value of –8.100 ± 0.200 kcal mol-1, which classifies the compound as a potential insecticidal agent against the Aedes aegypti vector. silico Initially 18 spp spp. 50 TD50 TD (TD50 predictions deviation fluctuation protein Nβacetyltryptamine N β acetyltryptamine 8100 8 100 –8.10 0200 0 200 0.20 mol1, mol1 mol 1, 1 mol-1 vector 5 TD5 (TD5 810 10 –8.1 020 20 0.2 mol- (TD 81 –8. 02 2 0. –8 –

Bredemeyera Willd. is a genus of the Polygalaceae family, occurring in Brazil. This research aims to evaluate the phytochemical and antifungal potential, in vitro and in silico, of Bredemeyera brevifolia extracts. The identification of fatty acids by gas chromatography-mass spectrometry and their quantification by gas chromatography-flame ionization detector showed that palmitic (36.55 mg g−1), margaric (3.66 mg g−1), linolelaidic (108.82 mg g−1), oleic (7.86 mg g−1), stearic (41.11 mg g−1), dihomo-γ-linolenic (85.48 mg g−1), and arachidic (209.00 mg g−1) acids are present in the hexane extract. From the chloroform extract, 1-hydroxy-3,7-dimethoxyxanthone was isolated and identified. The minimum inhibitory concentration assay with methanolic extract demonstrated antifungal activity against species of the genus Candida, Sporothrix, and Trichophyton for up to 96 h, with values ranging from 64-1024 μg mL−1. The in silico study with the chemical compounds of this species showed fungal inhibition potential of sterol-14-α-demethylase, highlighting 1-hydroxy-3,7-dimethoxyxanthone, which presented an affinity energy of -8.8 kcal mol−1, greater than that observed for fluconazole (−8.3 kcal mol−1). The fatty acids interacted with the active site of the enzyme but presented energies ≥ −7.4 kcal mol−1. Compounds isolated from this species have pharmacokinetic potential for the development of pharmaceutical formulations. Willd family Brazil extracts chromatographymass chromatography mass chromatographyflame flame 36.55 3655 36 55 (36.5 g−1, g1 g g−1 , 1 3.66 366 3 66 (3.6 108.82 10882 108 82 (108.8 7.86 786 7 86 (7.8 41.11 4111 41 11 (41.1 dihomoγlinolenic dihomo γ linolenic 85.48 8548 85 48 (85.4 209.00 20900 209 00 (209.0 1hydroxy3,7dimethoxyxanthone 1hydroxy37dimethoxyxanthone hydroxydimethoxyxanthone hydroxy 3,7 dimethoxyxanthone identified Candida Sporothrix 9 h 641024 64 1024 64-102 mL1 mL mL−1 sterol14αdemethylase, sterol14αdemethylase sterolαdemethylase sterol 14 α demethylase, demethylase sterol-14-α-demethylase 1hydroxy3,7dimethoxyxanthone, dimethoxyxanthone, 8.8 88 8 -8. mol1 mol mol−1 −8.3 83 (−8. . mol−1) 74 4 −7. formulations 36.5 365 5 (36. g− 3.6 6 (3. 108.8 1088 10 (108. 7.8 78 (7. 41.1 411 (41. 85.4 854 (85. 209.0 2090 20 0 (209. 1hydroxy3 7dimethoxyxanthone 37 3, 64102 102 64-10 mL− αdemethylase 8. -8 mol− −8. (−8 −7 36. (36 3. (3 108. (108 7. (7 41. (41 85. (85 209. 2 (209 1hydroxy 6410 64-1 - −8 (− − ( (10 (4 (8 (20 641 64- (1 (2

The emergence of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) stands for being the most serious epidemic (so far) of the 21st century. However, only a few computational studies have investigated the molecular mechanisms underlying the neutralization of the spike protein by antibodies of different classes. Hence, bioinformatic methods were employed to unravel the factors contributing to the remarkable neutralization capacity exhibited by specific antibodies. Initially, crystallographic structures of IgA monomeric / dimeric, IgG, and IgM antibodies binding with the receptor-binding domain region of the SARS-CoV-2 spike protein were retrieved. Subsequently, rigid molecular docking and molecular dynamic simulations were performed over 100 ns with explicit water solvation. Lastly, an energy decomposition was conducted to estimate the binding affinity using the last frames from molecular dynamics. The results revealed a higher binding affinity for both monomeric and dimeric forms of IgA antibodies against the spike protein. Additionally, a greater number of hydrogen bonds were observed during their interaction with the spike protein, as well as greater structural instability along the time and especially a more thermodynamically favorable interaction affinity. In this way, the research contributes a small piece to the complex puzzle of understanding the humoral immune response induced by the SARS-CoV-2 virus. SARSCoV2 SARSCoV SARS CoV (SARS-CoV-2 so far st century However classes Hence Initially IgG receptorbinding receptor SARS-CoV- retrieved Subsequently 10 solvation Lastly dynamics Additionally way virus (SARS-CoV- SARS-CoV 1 (SARS-CoV

ABSTRACT The drying process is paramount for maintaining seed quality, where the temperature during this process directly influences germination and vigor, especially for vegetable species harvested with high moisture content. This research aimed to determine and model the drying curves of S. aethiopicum (cultivar Tinguá-verde-claro) seeds at temperatures of 35, 38, 41, and 44 ºC, as well as to evaluate the physiological quality of the seeds after drying. A completely randomized design was used, with four drying temperatures (35, 38, 41, and 44 ºC) and four replicates. Nine mathematical models were fitted using the non-linear regression analysis by the Gauss-Newton method, and the goodness of fit was assessed based on the magnitude of the coefficient of determination (R2), chi-square test (χ2), relative mean error (P), and estimated mean error (SE). Seed quality was evaluated by germination test (G), electrical conductivity (EC), and accelerated aging (AA). The Modified Midilli model best represents the drying curves of S. aethiopicum seeds at the studied temperatures. Seeds with higher germination and vigor, meaning lower electrical conductivity values and higher germination rates after accelerated aging, are achieved through drying at 35 and 38 ºC. vigor content S cultivar Tinguáverdeclaro Tinguá verde claro Tinguá-verde-claro 41 4 ºC used (35 replicates nonlinear non linear GaussNewton Gauss Newton method R2, R2 R , (R2) chisquare chi square χ2, χ2 χ (χ2) P, P (P) SE. SE . (SE) G, G (G) EC, EC (EC) AA. AA (AA) 3 (3 (R2 (χ2 (P (SE (G (EC (AA ( (R (χ

RESUMO O processo de secagem é de suma importância para a manutenção da qualidade das sementes, onde a temperatura de condução deste processo exerce influência direta sobre a germinação e vigor, sobretudo para as espécies olerícolas que são colhidas com alto teor de água. O objetivo desta pesquisa foi determinar e modelar as curvas de secagem de sementes de jiló (cultivar Tinguá-verde-claro) nas temperaturas de 35, 38, 41 e 44 ºC, bem como avaliar a qualidade fisiológica das sementes após a secagem. Foi utilizado o delineamento inteiramente casualizado, sendo quatro temperaturas de secagem (35, 38, 41 e 44 ºC) com quatro repetições. Nove modelos matemáticos foram ajustados por meio de análise de regressão não linear pelo método de Gauss-Newton, e o grau de ajuste foi avaliado com base na magnitude do coeficiente de determinação (R2), teste qui-quadrado (χ2), erro médio relativo (P) e erro médio estimado (SE). A qualidade das sementes foi avaliada pelo teste de germinação (G), condutividade elétrica (CE) e envelhecimento acelerado (EA). O modelo ‘Midilli Modificado’ é o que melhor representa as curvas de secagem das sementes de jiló nas temperaturas estudadas. Sementes com maior germinação e vigor, ou seja, com menores valores de CE e maiores taxas de germinação após EA, são alcançadas através da secagem a 35 e 38 ºC. vigor água cultivar Tinguáverdeclaro Tinguá verde claro Tinguá-verde-claro 4 ºC casualizado (35 repetições GaussNewton, GaussNewton Gauss Newton, Newton Gauss-Newton R2, R2 R , (R2) quiquadrado qui quadrado χ2, χ2 χ (χ2) P (P SE. SE . (SE) G, G (G) (CE EA. EA (EA) Midilli Modificado estudadas seja 3 (3 (R2 (χ2 (SE (G (EA ( (R (χ