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 (

In this work, a miniaturized version of the QuEChERS (quick, easy, cheap, effective, rugged, and safe) method was optimized, validated, and applied for extracting eight pesticide residues in anuran liver tissue samples. The extracts were quantified by high-performance liquid chromatography with diode array detection, and the detected residues in liver tissue samples were identified by tandem mass spectrometry-liquid chromatography. The optimized extraction method entailed the scale reduction of the QuEChERS method twenty times using 500 mg of liver tissue sample, 200 mg Mg2SO4, 50 mg NaCl, 1.5 mL of acetonitrile, and a mixture of 25 mg C18 + 25 mg PSA (primary-secondary amine) as dispersive solid-phase extraction sorbent. The method was validated using liver tissue samples spiked at two levels of pesticide concentrations according to the SANTE/11312/2021 document. Recoveries ranged from 91-110% with a relative standard deviation < 20%. The method robustness assessed by the Steiner and Youden test resulted in recovery rate variations of less than 2% for all pesticides after deliberated changes in seven variables. The validated method was applied to 72 liver tissue samples from two anuran species, registering residues of some pesticides in 31 samples. The proposed method proved to be efficient, precise, and robust for determining pesticide residues in anuran liver tissues. work quick, quick (quick easy cheap effective rugged safe highperformance high performance detection spectrometryliquid spectrometry sample 20 Mg2SO4 MgSO Mg SO 5 NaCl 15 1 1. acetonitrile 2 C C1 primarysecondary primary secondary amine solidphase solid phase sorbent SANTE113122021 SANTE 11312 2021 SANTE/11312/202 document 91110% 91110 91 110% 110 91-110 20% variables 7 species 3 efficient precise tissues Mg2SO SANTE11312202 1131 202 SANTE/11312/20 9111 9 11 91-11 SANTE1131220 113 SANTE/11312/2 911 91-1 SANTE113122 SANTE/11312/ 91- SANTE11312 SANTE/11312 SANTE1131 SANTE/1131 SANTE113 SANTE/113 SANTE11 SANTE/11 SANTE1 SANTE/1 SANTE/

Alzheimer’s disease (AD) is a neurodegenerative disorder characterized by extracellular accumulation of amyloid-β (Aβ) peptides in the brain. This study demonstrates the direct association of the disposable pipette extraction (DPX) with tandem mass spectrometry (MS/MS) for the analysis of Aβ peptides in cerebrospinal fluid (CSF) samples. Different parameters were optimized in order to improve detectability in the MS/MS including mobile phase percentage of ammonium hydroxide, mobile phase flow rate and acquisition mode. Also, this method used an electrospray ionization (ESI) low-flow probe and direct infusion of an organic solution in the MS/MS. The DPX-MS/MS method showed adequate linearity for determining Aβ peptides in CSF-linearity ranged from 0.1 to 1.5 ng mL 1. The coefficients of determination were higher than 0.99; the precision coefficient of variation (CV) ranged from 0.3 to 12.7%; and the accuracy relative standard deviation (RSD) ranged from -13.6 to 13.2%. Alzheimers Alzheimer s AD (AD amyloidβ amyloid β (Aβ brain DPX (DPX MSMS MS (MS/MS CSF (CSF samples hydroxide mode Also ESI (ESI lowflow low DPXMS/MS DPXMSMS CSFlinearity 01 0 1 0. 15 5 0.99 099 99 CV (CV 03 3 12.7% 127 12 7 RSD (RSD 13.6 136 13 6 -13. 132 2 13.2% DPXMS 0.9 09 9 12.7 13. -13 13.2 12. -1 -

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 –

RESUMO Objetivo: Avaliar a funcionalidade e fatores associados em crianças e adolescentes com osteogênese imperfeita (OI). Métodos: Estudo transversal com 30 crianças e adolescentes com OI. Foram avaliados prontuários médicos, uso de bisfosfonatos, características socioeconômicas, dinamometria de preensão palmar, equilíbrio, hipermobilidade articular, nível de deambulação e escores do Pediatric Evaluation of Disability Inventory - Computer Adaptative Test (PEDI-CAT). Os dados foram apresentados em média e desvio padrão e comparados por teste t por Mann-Whitney, enquanto os categóricos foram apresentados em frequência e comparados pelo teste exato de Fisher. Análises intragrupos foram realizadas por análise de covariância (ANCOVA) ou Teste de Wilcoxon para postos sinalizados. O teste Tau-b de Kendall foi usado para correlações. Resultados: A idade variou de 6 a 18 anos. A amostra foi dividida em dois grupos de acordo com a gravidade da doença. Casos moderados/graves (n=10) apresentaram menor estatura e força muscular comparadas às dos leves (n=20). Fraqueza muscular foi observada em todos os casos de OI quando comparados à população normal. Não houve diferença nos domínios do PEDI-CAT com exceção do domínio mobilidade. Houve correlação entre o número de fraturas, tipo de OI, peso e equilíbrio e o domínio mobilidade; e entre os domínios Atividades Diárias e Mobilidade e Responsabilidade e Social/cognitivo do PEDI-CAT. Conclusões: Nossos achados sugerem que crianças com OI moderada/severa podem atingir o mesmo nível de funcionalidade que crianças com a forma leve. Fraturas podem ter grande influência no nível de funcionalidade e o tratamento deve enfocar a prevenção e a reabilitação desses eventos. Objetivo . (OI) Métodos 3 médicos bisfosfonatos socioeconômicas palmar articular PEDICAT. PEDICAT PEDI CAT (PEDI-CAT) MannWhitney, MannWhitney Mann Whitney, Whitney Mann-Whitney Fisher ANCOVA (ANCOVA sinalizados Taub Tau b correlações Resultados 1 anos doença moderadosgraves moderados graves n=10 n10 n 10 (n=10 n=20. n20 n=20 20 (n=20) normal mobilidade fraturas Socialcognitivo Social cognitivo CAT. Conclusões moderadasevera moderada severa leve eventos (OI (PEDI-CAT n=1 n1 (n=1 n2 n=2 2 (n=20 n= (n= (n=2 (n

ABSTRACT Objective: The aim of this study was to evaluate the functioning and associated factors in children and adolescents with osteogenesis imperfecta (OI). Methods: This is a cross-sectional study conducted on 30 children and adolescents with OI. Medical records, use of bisphosphonates, socioeconomic status, handgrip strength, balance, joint hypermobility, ambulatory level, and the Pediatric Evaluation of Disability Inventory—Computer Adaptative Test (PEDI-CAT) scores were assessed. Data is presented as mean and standard deviation and Student’s t-test or Mann–Whitney U test. Categorical data is presented as frequency and analyzed using Fisher’s exact test. Within-group analyses were conducted using ANCOVA or Wilcoxon signed-rank test. Correlations used Kendall’s Tau-b test. Results: The participants involved in this study were 6–18 years old. The sample was separated into two groups according to disease severity. The moderate/severe OI group (n=10) presented a lower height and muscular strength than the mild group (n=20). Muscle weakness was observed in all participants with OI when compared with the normal population. No differences were observed between the groups in the PEDI-CAT scores except for the mobility domain. There were correlations between the PEDI-CAT mobility domain and the number of fractures, OI type, weight, and balance; there was also a correlation between the PEDI-CAT daily activities, mobility, responsibility, and social/cognitive domains. Conclusions: The findings suggest that children with moderate/severe forms of OI can achieve the same function levels as children with mild OI. Fractures can have a major influence on the functional level, and treatment should focus on the prevention and rehabilitation of these events when they occur. Objective . (OI) Methods crosssectional cross sectional 3 records bisphosphonates status balance hypermobility level InventoryComputer Inventory Computer PEDICAT PEDI CAT (PEDI-CAT assessed Students Student s ttest t test MannWhitney Mann Whitney Fishers Fisher Withingroup Within signedrank signed rank Kendalls Kendall Taub Tau b Results 618 6 18 6–1 old severity moderatesevere moderate severe n=10 n10 n 10 (n=10 n=20. n20 n=20 20 (n=20) population fractures type weight activities responsibility socialcognitive social cognitive domains Conclusions occur (OI 61 1 6– n=1 n1 (n=1 n2 n=2 2 (n=20 n= (n= (n=2 (n

ABSTRACT: China is the biggest muskmelon producing country across the world. Extreme application of fertilizer during planting of muskmelon poses a serious threat to the environment and food safety, so how to promote farmers to use organic fertilizer has become an important topic. This study creatively introduced green awareness into the extended framework of theory of planned behavior to explore the decisive factors of muskmelon farmers’ behavior intention to apply green organic fertilizer. The structural equation model is used for investigating behavior intention of 543 muskmelon farmers in Leting County, China. The results suggested that both subjective norm and green awareness can affect muskmelon farmers’ behavior intention positively and significantly. When the subjective norm increases by 1 standard deviation, the farmers’ intention increases by 1.028 standard deviation; for every 1 standard deviation increase in green awareness, the farmers’ intention increased by 0.703 standard deviation. ABSTRACT world safety topic 54 County significantly 1028 028 1.02 0703 0 703 0.70 5 102 02 1.0 070 70 0.7 10 1. 07 7 0.

RESUMO: A China é o maior país produtor de melão em todo o mundo. A aplicação extrema de fertilizantes durante o plantio de melão representa uma séria ameaça ao meio ambiente e à segurança alimentar, portanto, como promover os agricultores a usar fertilizante orgânico verde tornou-se um tópico importante. Este estudo introduziu criativamente a consciência verde no quadro estendido da teoria do comportamento, planejado para explorar os fatores decisivos da intenção dos agricultores de melão de aplicar fertilizante orgânico verde. O modelo de equações estruturais é usado para investigar a intenção de comportamento de 543 agricultores de melão no Condado de Leting, China. Os resultados sugerem que tanto a norma subjetiva quanto a consciência verde podem afetar positiva e significativamente o comportamento dos produtores de melão. Quando a norma subjetiva aumenta em 1, o desvio padrão, a intenção do agricultor aumenta em 1,028 desvio padrão. Para cada aumento de 1 desvio padrão na consciência verde, a intenção dos agricultores aumentou em 0,703 desvio padrão. RESUMO mundo alimentar portanto tornouse tornou se importante 54 Leting 1028 028 1,02 0703 0 703 0,70 5 102 02 1,0 070 70 0,7 10 07 7 0,

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

A green supramolecular vortex-assisted microextraction employing a mixture of 1-decanol and tetrahydrofuran (THF) was developed for the simultaneous extraction of pesticides from different classes (insecticides, fungicides, and herbicides) from water and flour samples, followed by their determination in high-performance liquid chromatography with diode array detector (HPLC-DAD). The most favorable results were achieved at pH 6.0 in the presence of 4% (m/v) NaCl, utilizing a low volume of 1-decanol and THF (75 and 400 µL, respectively), a short vortex-assisted extraction time (120 s), and centrifugation time (120 s). These conditions yielded high preconcentration factors ranging from 50.1 to 90.3 and low limits of quantification (LOQs) ranging from 1.3 to 27.3 µg L-1. The intraday (n = 10) and interday (n =1 0) precision, assessed as the percentage of relative standard deviation (RSD), varied from 4.4 to 12.4%. The optimized method was successfully applied to determine the pesticides in water and flour samples, with recoveries ranging from 81 to 111%. vortexassisted vortex assisted 1decanol decanol 1 (THF insecticides, insecticides (insecticides fungicides herbicides samples highperformance performance HPLCDAD. HPLCDAD HPLC DAD . (HPLC-DAD) 60 6 0 6. 4 m/v mv m v (m/v NaCl 75 (7 40 µL respectively, respectively , respectively) 120 (12 s, s s) s. 501 50 50. 903 90 3 90. LOQs (LOQs 13 1. 273 27 27. L1. L1 L L-1 n 10 precision RSD, RSD (RSD) 44 4. 124 12 12.4% 8 111 111% (HPLC-DAD 7 ( (1 5 9 2 L- (RSD 12.4 11 12.

Nanocomposites of GO/γ-Fe2O3 were used for magnetic dispersive solid-phase microextraction (m-d-μ-SPE) of six pesticides from river water samples, followed by the determination using high performance liquid chromatography-diode array detection. The synthesis of the nanocomposites is described and characterized using Fourier transform-infrared spectroscopy, X-ray diffraction, and scanning electron microscopy. A central composite design was used to optimize the extraction time, sample solution pH, and adsorbent amount. The solvent type and volume for desorption and the effect of the ionic strength for adsorption were also investigated. The optimum adsorption conditions were achieved at 84 min of extraction time, pH 5.4, 115 mg of absorbent, and 1% (m/v) of NaCl, while the desorption solvent selected was 1.0 mL of methanol-acetic acid (9:1, v/v). The limits of detection ranged from 0.1 to 0.9 μg L-1, and a good precision was achieved with relative standard deviation (RSD) lower than 7.6% (n = 10). The accuracy of the method was accessed by recovery tests ranging from 82 to 117% (n = 3, RSD < 8%). GO/γFe2O3 GOγFe2O3 GOγFeO GO/γ Fe2O3 GO γ Fe O GO/γ-Fe2O solidphase solid phase mdμSPE m d μ SPE (m-d-μ-SPE samples chromatographydiode chromatography diode transforminfrared transform infrared spectroscopy Xray X ray diffraction microscopy time amount investigated 8 54 5 4 5.4 11 absorbent 1 m/v mv v (m/v NaCl 10 0 1. methanolacetic methanol acetic 91, 91 9 1, (9:1 v/v. vv v/v . v/v) 01 0. 09 L1, L1 L L-1 (RSD 76 7 6 7.6 n 10. 10) 117 3 8%. 8% 8%) γFe2O3 γFe GO/γFe2O GOγFe GOγFe2O GOγ FeO Fe2O 5. (9: L- 7. γFeO γFe2O (9 (

ABSTRACT Objective: To evaluate the predictive validity and cut-off point of heart rate and blood pressure on heart rate variability (HRV) changes in children with and without obesity. Methods: This study included 125 children, of whom 41 were normal weight and 84 were obese. Anthropometry, blood pressure, heart rate, and HRV were measured using an electronic scale and stadiometer, a sphygmomanometer, and HRV monitor. In addition, the receiver operating characteristic (ROC) curve was obtained by statistical analysis of the data. Results: Heart rate proved to be a good predictor for changes in the square root of the mean of the square of the differences between consecutive NN intervals (RMSSD) parameter in students of both sexes for the normal-weight group (ROC 0.89; 95%CI 0.77–1.00) and obesity (ROC 0.90; 95%CI 0.83–0.97). In addition, the heart rate cut-off point for alterations in the RMSSD parameter for normal-weight boys was 93 bpm (sensitivity 100.00% and specificity 87.50%) and for boys with obesity, the established cut-off point was 91 bpm (sensitivity 94.74% and specificity 63.64%). Heart rate also proved to be a good predictor considering low-frequency/high-frequency ratio (LF/HF) and standard deviation of long-term continuous NN intervals /standard deviation of the instantaneous variability of continuous NN intervals in the Poincaré graph ratio (SD2/SD1). Systolic and diastolic blood pressures were good predictors in more specific stratifications and, therefore, can be used in some cases. Conclusions: The predictive validity of heart rate was shown to be at a good level, with high sensitivity and acceptable specificity for the cut-off points according to the different analyses stratified by gender and nutritional status. In this sense, health professionals will be able to use heart rate to estimate cardiovascular risk in children of different sexes and nutritional status. Objective cutoff cut off (HRV Methods 12 4 8 obese Anthropometry stadiometer sphygmomanometer monitor addition ROC data Results (RMSSD normalweight 0.89 089 0 89 95CI CI 95 0.77–1.00 077100 77 1 00 0.90 090 90 0.83–0.97. 083097 0.83–0.97 . 83 97 0.83–0.97) 9 10000 100 100.00 87.50% 8750 87 50 9474 94 74 94.74 63.64%. 6364 63.64% 63 64 63.64%) lowfrequency/highfrequency lowfrequencyhighfrequency low frequency/high frequency LF/HF LFHF LF HF (LF/HF longterm long term SD2/SD1. SD2SD1 SDSD SD2/SD1 SD2 SD1 SD (SD2/SD1) therefore cases Conclusions level status sense 0.8 08 0.77–1.0 07710 7 0.9 09 08309 0.83–0.9 1000 10 100.0 87.50 875 5 947 94.7 636 63.64 6 lowfrequency highfrequency frequencyhigh SD2SD SD2/SD (SD2/SD1 0. 0.77–1. 0771 0830 0.83–0. 100. 87.5 94. 63.6 (SD2/SD 0.77–1 077 083 0.83–0 87. 63. 0.77– 07 0.83– 0.77 0.83 0.7

RESUMO Objetivo: Avaliar a validade preditiva e o ponto de corte da frequência cardíaca e da pressão arterial nas alterações da variabilidade da frequência cardíaca (VFC) em crianças com e sem obesidade. Métodos: Foram incluídas 125 crianças neste estudo, sendo 41 com peso normal e 84 com obesidade. Antropometria, pressão arterial, frequência cardíaca e VFC foram medidas por meio de balança eletrônica e estadiômetro, esfigmomanômetro e monitor de VFC. Além disso, a curva característica de operação do receptor (ROC) foi obtida pela análise estatística dos dados. Resultados: A frequência cardíaca mostrou-se um bom preditor de alterações no parâmetro de raiz quadrada da média do quadrado das diferenças entre os intervalos NN consecutivos (RMSSD) em escolares de ambos os sexos para o grupo de peso normal (ROC 0,89; IC95% 0,77–1,00) e obesidade (ROC 0,90; IC95% 0,83–0,97). Além disso, o ponto de corte da frequência cardíaca para alterações no parâmetro RMSSD para meninos com peso normal foi de 93 bpm (sensibilidade 100,00% e especificidade 87,50%), e para meninos com obesidade, o ponto de corte estabelecido foi de 91 bpm (sensibilidade 94,74% e especificidade 63,64%). A frequência cardíaca também se mostrou um bom preditor considerando os índices da relação baixa frequência/alta frequência (LF/HF) e razão desvio padrão de intervalos NN contínuos de longo prazo/desvio padrão da variabilidade instantânea de intervalos NN contínuos na relação gráfica de Poincaré (SD2/SD1). As pressões arteriais sistólicas e diastólicas foram bons preditores em estratificações mais específicas e, portanto, podem ser utilizadas em alguns casos. Conclusões: A validade preditiva da frequência cardíaca mostrou-se em bom nível, com alta sensibilidade e especificidade aceitável para os pontos de corte, conforme as diferentes análises estratificadas por sexo e estado nutricional. Desta forma, os profissionais de saúde poderão utilizar a frequência cardíaca para estimar o risco cardiovascular em crianças de diferentes sexos e estado nutricional. Objetivo (VFC Métodos 12 estudo 4 8 Antropometria estadiômetro disso ROC dados Resultados mostrouse (RMSSD 0,89 089 0 89 IC95 IC 0,77–1,00 077100 77 1 00 0,90 090 90 0,83–0,97. 083097 0,83–0,97 . 83 97 0,83–0,97) 9 10000 100 100,00 87,50%, 8750 87,50% , 87 50 87,50%) 9474 94 74 94,74 63,64%. 6364 63,64% 63 64 63,64%) frequênciaalta LF/HF LFHF LF HF (LF/HF prazodesvio prazo SD2/SD1. SD2SD1 SDSD SD2/SD1 SD2 SD1 SD (SD2/SD1) portanto casos Conclusões nível nutricional forma 0,8 08 IC9 0,77–1,0 07710 7 0,9 09 08309 0,83–0,9 1000 10 100,0 875 87,50 5 947 94,7 636 63,64 6 SD2SD SD2/SD (SD2/SD1 0, 0,77–1, 0771 0830 0,83–0, 100, 87,5 94, 63,6 (SD2/SD 0,77–1 077 083 0,83–0 87, 63, 0,77– 07 0,83– 0,77 0,83 0,7

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,

Abstract Construction projects are highly complex systems that recurrently present discrepancies between work-as-imagined and work-as-done. Digital technologies, such as photogrammetry using UAVs (drones), are promising support tools to cope with this problem. Therefore, this study aims to evaluate the procedures for developing and assessing the quality of a 3D model generated through photogrammetry from images captured by a drone, comparing it to the as-designed BIM model. Thus, a case study was carried out in a residential low-income housing construction project in Camaçari, Brazil. Compared to the as-designed BIM 3D model, the photogrammetric model presented an average dimensional deviation of -1.68%. The model also presented issues such as occlusions and deformations. The study highlights that both this deviation and the quality of the photogrammetric model can be significantly influenced by the data collection method (e.g., quantity and resolution of photos). The study's primary contribution lies in presenting the potential of UAV usage for image capture in photogrammetry model generation. workasimagined work imagined workasdone. workasdone done. done work-as-done technologies drones, drones , (drones) problem Therefore D drone asdesigned designed Thus lowincome low income Camaçari Brazil 1.68%. 168 1 68 -1.68% deformations e.g., eg e g (e.g. photos. photos . photos) studys s generation (drones 1.68% 16 6 -1.68 e.g. (e.g 1.68 -1.6 e.g 1.6 -1. 1. -1 -

Resumo Projetos de construção são sistemas altamente complexos que apresentam recorrentemente discrepâncias entre o trabalho planejado e o trabalho realizado. Tecnologias digitais, como a fotogrametria com VANTs (drones), são ferramentas de suporte promissoras nesse contexto. Assim, este estudo tem como objetivo avaliar os procedimentos de desenvolvimento e qualidade de um modelo 3D gerado por fotogrametria através de imagens capturadas por drone, comparando-o ao modelo as-designed BIM. Para isso, realizou-se um estudo de caso em uma habitação de interesse social localizada em Camaçari-BA. Comparado ao modelo BIM projetado, o modelo fotogramétrico apresentou um desvio dimensional médio de -1,68%. O modelo também apresentou inconsistências como oclusões e deformações. O estudo mostra que tanto esse desvio como a qualidade do modelo fotogramétrico obtido podem ser consideravelmente influenciados pela forma de coleta dos dados (ex. baixa quantidade e resolução das fotos). A principal contribuição do estudo é apresentar o potencial do uso do VANT para captura de imagens para geração de um modelo de fotogrametria. realizado digitais drones, drones , (drones) contexto Assim D drone comparandoo comparando asdesigned as designed isso realizouse realizou se CamaçariBA. CamaçariBA Camaçari BA. BA Camaçari-BA projetado 1,68%. 168 1 68 -1,68% deformações ex. ex (ex fotos. fotos . fotos) (drones 1,68% 16 6 -1,68 1,68 -1,6 1,6 -1, 1, -1 -

Resumo: Introdução: A doença hepática gordurosa não alcoólica é uma das principais causas de doença hepática. A citoqueratina 18 surge como um marcador não invasivo para avaliação de fibrose hepática. O objetivo do trabalho foi validar o uso da citoqueratina 18 no sangue periférico no diagnóstico e evolução de pacientes com doença hepática gordurosa não alcoólica. Metodologia: Para validar a citoqueratina 18 no diagnóstico, foi realizado um estudo caso-controle. O grupo caso foi composto por pacientes maiores de 18 anos, de ambos os sexos, com diagnóstico de doença hepática gordurosa não alcoólica ligada à síndrome metabólica, recrutados entre 02/02/2019 a 02/02/2020. O grupo controle eram doadores de sangue. Eles foram comparados em 1 a 1 por idade e sexo. A citoqueratina 18 foi quantificada no sangue periférico de ambos os grupos. Para validar a citoqueratina 18 na evolução de pacientes com doença hepática gordurosa não alcoólica, foi realizado um estudo prospectivo e longitudinal. O grupo de pacientes recrutados foi acompanhado durante um ano sob tratamento padrão, ao final do qual a citoqueratina 18 foi quantificada no sangue periférico. As variáveis contínuas são expressas com média e desvio padrão. Foi analisado com teste t de Student, erro α < 5%. Resultados: Compõem o grupo caso 13 pacientes (12 mulheres), 53 ± 11 anos, com IMC 35,01 ± 8,9 kg/m2. O valor de citoqueratina 18 pré-tratamento foi de 1410 ± 120 UI e o valor pós-tratamento foi de 117 ± 56, p < 0,005. O grupo controle foi de 13 pessoas (12 mulheres), 43,4 ± 8,1 anos e IMC 28,10 ± 5,4 kg/m2 O valor da citoqueratina 18 foi de 193 ± 7,2 UI, p < 0,005 vs. grupo de casos pré-tratamento. Conclusões: A citoqueratina 18 é maior em pacientes com doença hepática gordurosa não alcoólica, sendo estatisticamente significativa, e diminui com o tratamento com significância estatística, podendo se tornar um marcador útil neste grupo de pacientes.

Abstract: Introduction: Nonalcoholic fatty liver disease is one of the main causes of liver disease. Cytokeratin 18 emerges as a non-invasive marker for the assessment of liver fibrosis. The objective of the work was to validate the use of cytokeratin 18 in peripheral blood in the diagnosis and evolution of patients with non-alcoholic fatty liver disease. Methodology: To validate cytokeratin 18 in the diagnosis, a case-control study was carried out. The case group was patients over 18 years of age, of both sexes, with a diagnosis of non-alcoholic fatty liver disease linked to metabolic syndrome, recruited between 2/2/2019 to 2/2/2020. The control group were blood donors. They were matched 1-1 for age and sex. Cytokeratin 18 was quantified in peripheral blood of both groups. To validate cytokeratin 18 in the evolution of patients with non-alcoholic fatty liver disease, a prospective, longitudinal study was carried out. The group of patients recruited were followed for one year under standard treatment, at the end of which cytokeratin 18 was quantified in peripheral blood. Continuous variables are expressed with the mean and standard deviation. It was analyzed with Student's t test, α error < 5%. Results: 13 patients make up the case group (12 women), 53 ± 11 years old, with BMI 35.01 ± 8.9 kg/m2. The pre-treatment cytokeratin 18 value was 1410 ± 120 IU, and the post-treatment value was 117 ± 56, p < 0.005. The control group was 13 people (12 women), 43.4 ± 8.1 years and BMI 28.10 ± 5.4 kg/m2 The cytokeratin 18 value was 193 ± 7.2 IU, p < 0.005 vs. pretreatment case group. Conclusions: Cytokeratin 18 is higher in patients with non-alcoholic fatty liver disease, being statistically significant, and decreases with treatment with statistical significance, and may become a useful marker in this group of patients.

Resumen: Introducción: La enfermedad por hígado graso no alcohólico es una de las principales causas de afección hepática. La citoqueratina 18 surge como marcador no invasivo para la valoración de fibrosis hepática. El objetivo del trabajo fue validar el uso de la citoqueratina 18 en sangre periférica en el diagnóstico y evolución de los pacientes con enfermedad por hígado graso no alcohólico. Metodología: Para validar la citoqueratina 18 en el diagnóstico se realizó un estudio de tipo caso-control. El grupo caso fueron los pacientes mayores de 18 años, de ambos sexos, con diagnóstico de enfermedad por hígado graso no alcohólico vinculado al síndrome metabólico, captados entre 2/2/2019 al 2/2/2020. El grupo control fueron personas donantes de sangre. Se parearon 1-1 por edad y sexo. Se cuantificó la citoqueratina 18 en sangre periférica de ambos grupos. Para validar la citoqueratina 18 en la evolución de los pacientes con enfermedad de hígado graso no alcohólico se realizó un trabajo prospectivo, longitudinal. El grupo de pacientes captados fueron seguidos durante un año bajo tratamiento estándar, finalizando el mismo se realizó la cuantificación de citoqueratina 18 en sangre periférica. Las variables continuas se expresan con la media y desvío estándar. Se analizó con test de t Student, error α < 5% Resultados: 13 pacientes integran el grupo caso (12 mujeres), de 53 ± 11 años, con IMC 35.01 ± 8.9 kg/m2. El valor de citoqueratina 18 pre-tratamiento fue de 1410 ± 120 UI, y el valor post-tratamiento fue de 117 ± 56, p < 0,005.El grupo control fueron 13 personas (12 mujeres), de 43,4 ± 8,1 años e IMC 28,10 ± 5,4 kg/m2 El valor de citoqueratina 18 fue de 193 ± 7.2 UI, p < 0.005 vs grupo caso pretratamiento. Conclusiones: La citoqueratina 18 es más elevada en los pacientes con enfermedad hígado graso no alcohólico, siendo estadísticamente significativa y disminuye con el tratamiento con significación estadística, pudiendo constituirse en un marcador útil en este grupo de pacientes.

Abstract: This paper presents a methodology, based on frequency response models, to estimate the minimum or maximum value -nadir- that the frequency reaches when a generation - load unbalance occurs in the power system. To this end, the 1st order reduced equivalent model of the generator’s power-frequency control system is determined using the "Parameter Estimator" of Matlab/Simulink. Then, a set of equations coming from the reduced equivalent model is established to estimate the value of the maximum transient frequency deviation and its occurrence time. To illustrate the application of the proposed methodology, the IEEE New England test system has been chosen. Once this is done, the proposed methodology is applied to the Ecuadorian Interconnected Power System. The results of time domain simulations using the PowerFactory software are presented and compared with the results calculated using the developed reduced and analytical models. It is concluded that the proposed methodology estimates with high accuracy the maximum transient frequency deviation and its time of occurrence.

Resumen: En el presente trabajo se presenta una metodología, basada en modelos de repuesta de la frecuencia, para estimar el valor mínimo o máximo -nadir- que alcanza la frecuencia cuando en el sistema eléctrico de potencia se presenta un desbalance generación - carga. Con este fin, se determina el modelo reducido de 1er orden del sistema de control potencia - frecuencia del generador usando el “Estimador de Parámetros” de Matlab/Simulink. Luego, se establecen ecuaciones que provienen del modelo equivalente reducido para estimar el valor de la máxima desviación transitoria de la frecuencia y su tiempo de ocurrencia. Para ilustrar la aplicación de la metodología presentada se ha elegido el sistema de prueba IEEE New England de 39 barras y 10 generadores. Hecho esto, la metodología propuesta se aplica al Sistema Nacional Interconectado ecuatoriano. Se presentan resultados de simulaciones en el dominio del tiempo usando el programa PowerFactory, mismos que son comparados con los resultados calculados mediante el modelo equivalente reducido y el modelo analítico. Se concluye que la metodología propuesta estima con alta precisión la máxima desviación transitoria de la frecuencia y su tiempo de ocurrencia.

Summary: A methodology is proposed for the interpretation of gas emissions that come from the soil based on the integration of the primary actors in the production systems and members of the ecosystems. The methodology presents data in units that are easy to understand by people outside the study of gas emissions in different ecosystems and production systems, and optimizes the calculation of small and medium scale predictions through estimation with a high degree of ratio and mathematical adjustment. From the use of the ideal gas equation, it was possible to develop the methodology to obtain a conversion factor taking into account variables such as the pressure and temperature of the site where the gas quantification experiment is being carried out. With the aforementioned, it is easier to obtain the constant of the molar volume of the container used and data transformation to ensure compliance with basic statistical parameters such as normality, variance similar to zero, and confidence intervals with less deviation. The present methodological development represents a tool for the generation of data at the laboratory and plot level with mathematical support that facilitates the execution of mathematical models in comparison with other methodologies.

Resumen: Se propone una metodología para la interpretación de las emisiones de gases que proceden del suelo a partir de la integración de los actores primarios en los sistemas de producción e integrantes de los ecosistemas. La metodología presenta datos en unidades de fácil comprensión por personas ajenas al estudio de emisiones de gases en los distintos ecosistemas y sistemas de producción, optimiza el cálculo de predicciones a pequeña y mediana escala mediante la estimación con alto grado de razón y ajuste matemático. A partir del empleo de la ecuación general de los gases ideales se pudo desarrollar la metodología para obtener un factor de conversión teniendo en cuenta variables como la presión y temperatura del sitio donde se esté ejecutando el experimento de cuantificación de gases, con lo anterior se facilita la obtención de la constante del volumen molar propio del contenedor utilizado y la transformación de datos para garantizar el cumplimiento de parámetros estadísticos básicos como normalidad, varianza similar a cero e intervalos de confianza con menor desviación. El presente desarrollo metodológico representa una herramienta para la generación de datos a nivel de laboratorio y parcelario con soporte matemático que facilita la ejecución de modelos matemáticos en comparación con otras metodologías.