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 aimed to employ bibliometric methodologies to provide an overview of silver nanoparticles used as antimicrobial agents over the past decade. According to research conducted using the Scopus and Web of Science databases, a total of 2504 articles were published globally, of which 109 were from Brazilian institutions. Notably, approximately 70% of the leading article-producing countries are in Asia, with India emerging as the primary contributor with 1892 articles. Brazil ranked sixth in terms of publication volume, contributing 366 articles. Predominantly, the Southeastern region of Brazil exhibited the highest publication output, constituting 61% of the total, with the state of São Paulo playing a central role. Despite a gradual increase in the number of publications, most studies focused on synthesis methodologies, mainly producing aqueous silver nanoparticle solutions and their correlation with antimicrobial applications. The scarcity of publications addressing their efficacy in final commercialized products poses challenges for regulatory actions, quality control, and sanitary surveillance. Bibliometric studies are valuable tools for guiding future research efforts with significant potential impacts to foster a deeper understanding of this topic within the scientific community. decade databases 250 globally 10 institutions Notably 70 articleproducing article Asia 189 volume 36 Predominantly output 61 role applications actions control surveillance community 25 1 7 18 3 6 2

Lantana caatingensis Moldenke (Verbenaceae) is an endemic plant from northeastern Brazil. However, its chemical composition is almost unknown. This study aimed to characterize the chemical compounds found in L. caatingensis and investigate the antileishmanial potential of its hydroalcoholic extract and polar fractions. Compounds present in the hydroalcoholic extract obtained from L. caatingensis leaves and its polar fractions (ethyl acetate and methanolic) were analyzed by liquid chromatography with a photodiode-array detector coupled to electrospray ionization quadrupole time-of-flight mass spectrometry. An antileishmanial assay was performed in a 96-well plate against Leishmania major promastigotes using resazurin on a plate spectrophotometer and the results were expressed as percentage of growth inhibition. Nine compounds were determined in the investigated extract and fractions, classified as flavonoids, flavonoid C-glycosides and phenylethanoid glycosides. The antileishmanial activity revealed that the hydroalcoholic extract and the ethyl acetate fraction were active against L. major promastigotes with inhibitory concentration of 71.78 and 26.86 µg mL-1, respectively, while the methanolic fraction was inactive (478.40 µg mL-1). This is the first report on the chemical composition and antileishmanial activity of L. caatingensis extracts. These results contribute to further knowledge of species belonging to the Lantana genus. Verbenaceae (Verbenaceae Brazil However unknown L photodiodearray photodiode array timeofflight time flight spectrometry 96well well 96 inhibition flavonoids Cglycosides C glycosides 7178 71 78 71.7 2686 26 86 26.8 mL1, mL1 mL 1, 1 mL-1 respectively 478.40 47840 478 40 (478.4 mL1. . mL-1) extracts genus 9 717 7 71. 268 2 8 26. mL- 478.4 4784 47 4 (478. 478. (478 (47 (4 (

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 ( -

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

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

In last decades, technical-scientific investigations into cultural heritage assets have increasingly become part of analysis methodologies accessible to professionals from different areas for a broad understanding of the complex material and historical nature of objects. In this interdisciplinary word, the painting “Costureiras” by Tarsila do Amaral (1886-1973), from 1950, was studied by ultraviolet-induced visible luminescence (UVL), infrared image (IR) and macro X-ray fluorescence scanning (MA-XRF) techniques. UVL and MA-XRF images enabled the exploration of the conservation status of the artwork, the creative process of the artist, and areas featuring materials distinct from the original painting. By combining the results of IR and MA-XRF images, it was confirmed that changes occurred in the creative process during the composition of the artwork. MA-XRF images further allowed the inference of the primary pigments employed by the artist, revealing that, during canvas priming, Tarsila do Amaral utilized pigments based on lead and zinc. decades technicalscientific technical scientific objects word Costureiras “Costureiras 18861973, 18861973 1886 1973 , (1886-1973) 1950 ultravioletinduced ultraviolet induced UVL, (UVL) (IR Xray X ray MAXRF MA XRF (MA-XRF techniques artwork artist priming zinc 1886197 188 197 (1886-1973 195 (UVL 188619 18 19 (1886-197 18861 1 (1886-19 (1886-1 (1886- (1886 (188 (18 (1 (

Gas chromatography coupled to mass spectrometry (GC-MS) has been widely used, and along with other methodologies such as derivatization, is a powerful tool to analyze phytocompounds, including cuticular wax components. The loss of structural information upon fragmentation of waxes makes it difficult to interpret and identify the GC-MS mass spectra of these compounds with the traditional methods, as digital libraries. Therefore, as a new complementary alternative to traditional methods of identifying aliphatic acyclic lipids based on mass spectra, we present the new software WaxAlly in this technical note. WaxAlly is a new software created based on simple algorithms, enabling the rapid recognition by the user of eight aliphatic acyclic lipid classes, including alkanes, alkenes, aldehydes, ketones, esters, and TMS derivatives of free fatty acids, primary and secondary alcohols, and their homologues with carbon chains varying between 10 and 100 carbons. Additionally, the WaxAlly software provides a section for data organization, internet comparison to NIST and PubChem databases, and academic information about mass fragmentation of acyclic lipids. The software has proven to be a very useful complementary technique in identifying plant wax lipid homologues, and new fragmentation patterns of lipid classes can be added in the future to improve the program. GCMS GC MS (GC-MS used derivatization phytocompounds components libraries Therefore note algorithms alkanes alkenes aldehydes ketones esters acids alcohols 1 carbons Additionally organization databases program

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

ABSTRACT Purpose: The microbiology pattern of neonatal conjunctivitis has changed over time, and the incidence of gonococcal conjunctivitis is almost nil. This study aimed to determine the etiology of neonatal conjunctivitis cases referred to a tertiary health center in Brazil. Methods: From 2017 to 2020, conjunctival swabs were taken from neonates with clinical signs of conjunctivitis and tested with bacterial culture and polymerase chain reaction for Neisseria gonorrhoeae and Chlamydia trachomatis. Results: A total of 51 neonates were included in the 3-year study. Chlamydial conjunctivitis was diagnosed in 39 (76.5%) patients, and microbial growth was detected in 13 (25.5%) patients. The most isolated bacterium was Staphylococcus epidermidis (n=6, 11.8%), followed by other coagulase-negative Staphylococcus species (n=4, 7.8%) and S. aureus (n=2, 3.9%). One S. aureus isolate was resistant to oxacillin. There were no cases of gonococcal conjunctivitis. Ten (19.6%) patients showed polymerase chain reaction-negative C. trachomatis and negative bacterial culture test results. Conclusion: Findings show that C. trachomatis is the most common pathogen causing neonatal conjunctivitis. The high prevalence of C. trachomatis infection highlights the importance of screening and treating pregnant woman. Purpose time nil Brazil Methods 201 2020 Results 5 3year year 3 76.5% 765 76 (76.5% 1 25.5% 255 25 (25.5% n=6, n6 n 6 (n=6 11.8%, 118 11.8% , 11 8 11.8%) coagulasenegative coagulase n=4, n4 4 (n=4 7.8% 78 7 S n=2, n2 2 (n=2 3.9%. 3.9% . 9 3.9%) oxacillin 19.6% 196 19 (19.6% reactionnegative C results Conclusion woman 20 202 76.5 (76.5 25.5 (25.5 n=6 (n= 11.8 n=4 7.8 n=2 3.9 19.6 (19.6 76. (76. 25. (25. n= (n 11. 7. 3. 19. (19. (76 (25 (19 (7 (2 (1 (

This study evaluated the potential of naphthoxazoles derived from lapachol as fluorescent deoxyribonucleic acid (DNA) probes. We synthesized three 2-substituted naphthoxazoles: one with a phenyl group (LOX1), and two with 2-hydroxyphenyl (LOX2) and 4-fluorophenyl (LOX3) groups, respectively. The compounds were synthesized using the Debus-Radziszewski reaction between the lapachol and aldehydes. The quantum yield (Φf) was determined using the classical relative method with 4’,6-diamidino-2-phenylindole (DAPI) as the standard, and the fluorescence lifetime (τf) was measured with a lifetime fluorescence spectrometer. The naphthoxazoles exhibited low fluorescence emission and consequently low values of Φf in their free form, demonstrating behavior similar to that of DAPI. These compounds displayed notably large Stokes shifts (approximately 340 nm) and the τf in the nanosecond range. DNA binding studies were conducted by monitoring changes in the absorption properties of naphthoxazoles in the absence and presence of calf thymus DNA at different concentrations. The results indicated that naphthoxazoles interacted with DNA through groove binding. LOX2 exhibited a binding constant (Kb) of 2.70 × 104 M-1, indicating strong binding to the biomolecule. These findings underscore the potential of LOX1, LOX2, and LOX3 as candidates for use as fluorescent DNA probes. (DNA probes 2substituted substituted 2 LOX1 LOX , (LOX1) 2hydroxyphenyl hydroxyphenyl (LOX2 4fluorophenyl fluorophenyl 4 (LOX3 groups respectively DebusRadziszewski Debus Radziszewski aldehydes (Φf 4,6diamidino2phenylindole 46diamidino2phenylindole diamidinophenylindole ,6 diamidino phenylindole 6 DAPI (DAPI standard (τf spectrometer form approximately 34 nm range concentrations Kb (Kb 270 70 2.7 10 M1, M1 M 1, 1 M-1 biomolecule (LOX1 (LOX 6diamidino2phenylindole 3 27 7 2. M-

Exploring the triacylglycerols composition in milk samples from different ruminant species is crucial for dairy product development. Identifying the fatty acid (FA) composition in human milk is essential and is usually performed using gas chromatography (GC). Heat maps are useful for visualizing these results, aiding in pattern identification and relationships between samples and variables. Additionally, nuclear magnetic resonance (NMR) spectroscopy provides important qualitative and quantitative information about fatty acids (FA). In the present study, we compare the fatty acid composition in samples of HM, cow milk, and goat milk, as well as to demonstrate their positional distribution in triacylglycerols (TAGs). Human milk contains 49.21% saturated fatty acids (SFAs), 34.32% monounsaturated fatty acids (MUFA), and 16.47% polyunsaturated fatty acids (PUFA), including 2.14% docosahexaenoic acid (DHA) and 13.02% linoleic acid (LA). On the other hand, cow and goat milk have higher proportions of SFAs (56.2 and 58.02%, respectively) and MUFAs (40.56 and 40.95%, respectively), but lower amounts of PUFAs (3.24 and 1.03%, respectively), with significantly lower quantities of DHA (0.03 and 0.43%, respectively) and LA (1.46 and 2.76%, respectively). Additionally, fatty acids in ruminant milk mainly consist of long-chain fatty acids (LCFAs), with oleic acid being the most abundant. development FA (FA GC. GC . (GC) results variables Additionally NMR (NMR FA. study HM TAGs. TAGs (TAGs) 4921 49 21 49.21 SFAs, , (SFAs) 3432 34 32 34.32 MUFA, MUFA (MUFA) 1647 16 47 16.47 PUFA, PUFA (PUFA) 214 2 14 2.14 (DHA 1302 13 02 13.02 LA. (LA) hand 56.2 562 56 (56. 5802 58 58.02% respectively 40.56 4056 40 (40.5 4095 95 40.95% respectively, 3.24 324 3 24 (3.2 103 1 03 1.03% 0.03 003 0 (0.0 043 43 0.43% 1.46 146 46 (1.4 276 76 2.76% respectively. longchain long chain LCFAs, LCFAs (LCFAs) abundant (GC (TAGs 492 4 49.2 (SFAs 343 34.3 (MUFA 164 16.4 (PUFA 2.1 130 13.0 (LA 56. 5 (56 580 58.02 40.5 405 (40. 409 9 40.95 3.2 (3. 10 1.03 0.0 00 (0. 04 0.43 1.4 (1. 27 7 2.76 (LCFAs 49. 34. 16. 2. 13. (5 58.0 40. (40 40.9 3. (3 1.0 0. (0 0.4 1. (1 2.7 ( 58. (4

RESUMO Na agricultura irrigada, é comum a aplicação de água no solo cultivado sem critério, resultando em uso ineficiente ou não otimizado da água. Em muitos casos, a relação solo-água-planta, bem como as potencialidades e limitações dos sistemas de irrigação são ignoradas. A agricultura irrigada sustentável requer o desenvolvimento de um sistema de monitoramento da umidade do solo que evite a perda de água e melhore a eficiência do uso. O objetivo deste estudo foi desenvolver e avaliar a eficiência de um sistema inteligente de monitoramento da umidade do solo. O sistema é composto por duas estações: a primeira coleta os dados sobre parâmetros de umidade aparente do solo usando sensores, enquanto a segunda transmite esses dados para uma estação de processamento central. O sistema determina precisamente os valores atuais de umidade do solo, permitindo estimar o volume de água de irrigação necessário para atender à demanda hídrica da cultura com base na capacidade de campo. Os resultados da curva de calibração dos sensores indicam que o sistema pode medir com precisão a umidade do solo atual, auxiliando no manejo da irrigação. Para áreas irrigadas em condições de solo não saturado, recomenda-se o uso de tensiômetros devido à sua maior confiabilidade entre a capacidade de campo e o ponto de murcha permanente, garantindo práticas de irrigação mais precisas. critério casos soloáguaplanta, soloáguaplanta planta, planta solo-água-planta ignoradas estações central atual saturado recomendase recomenda se permanente precisas

ABSTRACT Water application to cultivated soil is often done without careful consideration in irrigated agriculture, leading to inefficient or suboptimal water usage. In many instances, the intricate relationship between soil, water, and plants, as well as the potential and limitations of irrigation systems, is overlooked. Sustainable irrigated agriculture necessitates the development of a soil moisture monitoring system that curtails water loss and enhances overall efficiency. This study aimed to develop and assess the efficiency of an intelligent system for monitoring soil moisture. The system comprises two stations: the first collects data on apparent soil moisture parameters using sensors, while the second transmits this data to a central processing station. The system precisely determines current soil moisture values, enabling estimation of the required irrigation water volume to meet the crop’s water demand based on field capacity. Results from the calibration curve of the sensors indicate that the system can measure current soil moisture precisely, aiding in irrigation management. For irrigated areas under unsaturated soil conditions, it is recommended to use tensiometers due to their higher reliability between field capacity and permanent wilting point, ensuring more accurate irrigation practices. usage instances plants systems overlooked stations station values crops crop s management conditions point practices

This study details the preparation, antileishmanial assay, and in silico analysis of twenty 2-hydroxy-3-(1,2,3-triazolyl)propyl vanillin derivatives. These compounds were synthesized in three steps and evaluated against Leishmania infantum, Leishmania amazonensis, and Leishmania braziliensis promastigotes. Compounds 3s and 3t were the most effective, showing good activity against all Leishmania species tested. Molecular docking indicated that all compounds bind favorably to the sterol 14α-demethylase (CYP51) enzyme from L. infantum. ADMET (absorption, distribution, metabolism, excretion and toxicity) analysis indicated good oral bioavailability, non blood-brain barrier penetration, and high gastrointestinal absorption. Posaconazole and compounds 3e, 3s, and 3t remained stable in the CYP51 binding region during 100 ns molecular dynamics (MD) simulations. Root mean square deviation (RMSD) and root mean square fluctuations (RMSF) analyses from the MD trajectory revealed significant conformational fluctuations of the CYP51 N-terminal, suggesting occasional expulsion of 3e, potentially explaining its higher IC50 (half-maximal inhibitory concentration) values. Pairwise decomposition analyses from molecular mechanics Poisson-Boltzmann surface area (MM/PBSA) calculations highlighted the importance of hydrophobic residues in interacting with the synthesized derivatives. preparation assay 2hydroxy31,2,3triazolylpropyl 2hydroxy3123triazolylpropyl hydroxytriazolylpropyl 2 hydroxy 3 1,2,3 triazolyl propyl 1 derivatives infantum amazonensis promastigotes s t effective tested 14αdemethylase αdemethylase 14α demethylase α CYP (CYP51 L absorption, absorption (absorption distribution metabolism toxicity bioavailability bloodbrain blood brain penetration 3e e CYP5 10 (MD simulations RMSD (RMSD RMSF (RMSF Nterminal, Nterminal N terminal, terminal N-terminal IC IC5 halfmaximal half maximal concentration values PoissonBoltzmann Poisson Boltzmann MM/PBSA MMPBSA MM PBSA (MM/PBSA 2hydroxy31 3triazolylpropyl triazolylpropyl 123 1,2, (CYP5 2hydroxy3 12 1,2 (CYP 2hydroxy 1,