cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.14304270
title: Intensive care inequity in Rio de Janeiro: the effect of spatial distribution of health services on severe acute respiratory infection

description: ABSTRACT Objective: To analyze the distribution of adult intensive care units according to geographic region and health sector in Rio de Janeiro and to investigate severe acute respiratory infection mortality in the public sector and its association with critical care capacity in the public sector. Methods: We evaluated the variation in intensive care availability and severe acute respiratory infection mortality in the public sector across different areas of the city in 2014. We utilized databases from the National Registry of Health Establishments, the Brazilian Institute of Geography and Statistics, the National Mortality Information System and the Hospital Admission Information System. Results: There is a wide range of intensive care unit beds per capita (from 4.0 intensive care unit beds per 100,000 people in public hospitals in the West Zone to 133.6 intensive care unit beds per 100,000 people in private hospitals in the Center Zone) in the city of Rio de Janeiro. The private sector accounts for almost 75% of the intensive care unit bed supply. The more developed areas of the city concentrate most of the intensive care unit services. Map-based spatial analysis shows a lack of intensive care unit beds in vast territorial extensions in the less developed regions of the city. There is an inverse correlation (r = -0.829; 95%CI -0.946 to -0.675) between public intensive care unit beds per capita in different health planning areas of the city and severe acute respiratory infection mortality in public hospitals. Conclusion: Our results show a disproportionate intensive care unit bed provision across the city of Rio de Janeiro and the need for a rational distribution of intensive care.
DOI: 10.6084/m9.figshare.14304269
title: Mortality analysis of adult burn patients in Uruguay

description: ABSTRACT Objective: To determine the independent risk factors associated with mortality in adult burn patients. Methods: This was a retrospective, observational study performed at the Centro Nacional de Queimados do Uruguai. All patients with skin burns admitted to the unit since its opening on July 1, 1995 through December 31, 2018 were included. The demographic data, burn profiles, length of stay, mechanical ventilation duration and hospital mortality were studied. A multivariate logistic regression was used to identify the risk factors for mortality. The standardized mortality ratio was calculated by dividing the number of observed deaths by the number of expected deaths (according to the Abbreviated Burn Severity Index). Results: During the study period, 3,132 patients were included. The median total body surface area burned was 10% (3%-22%). The Abbreviated Burn Severity Index was 6 (4 - 7). Invasive mechanical ventilation was required in 60% of the patients for a median duration of 6 (3 - 16) days. The median length of stay in the unit was 17 (7 - 32) days. The global mortality was 19.9%. Crude mortality and standardized mortality ratio decreased from 1995 through 2018. The global standardized mortality ratio was 0.99. A need for mechanical ventilation (OR 8.80; 95%CI 5.68 - 13.62), older age (OR 1.07 per year; 95%CI 1.06 - 1.09), total body surface area burned (OR 1.05 per 1%; 95%CI 1.03 - 1.08) and extension of third-degree burns (OR 1.05 per 1%; 95%CI 1.03 - 1.07) were independent risk factors for mortality. Conclusion: The need for mechanical ventilation, older age and burn extension were independent risk factors for mortality in the burned adult Uruguayan population.
DOI: 10.6084/m9.figshare.14304259
title: Compatibility by a Nonisothermal Kinetic Study of Azathioprine Associated with Usual Excipients in the Product Quality Review Process

description: Azathioprine is an immunosuppressive drug for several inflammatory disorders. Due to its clinical relevance, to explore the solid-state properties for excipient compatibility in the product quality review process is essential. Fourier transform infrared spectroscopy, powder X-ray diffraction and thermal analysis (thermogravimetry/derivative thermogravimetry (TG/DTG), differential thermal analysis (DTA), and differential scanning calorimetry (DSC)) were applied. The compatibility studies evidenced that starch pregelatinized, colloidal silicon dioxide, and talc are fully compatible with azathioprine. However, stearic acid, magnesium stearate, and mannitol are incompatible after heat supply at temperatures easily reached by industrial processing. The nonlinear Vyazovkin isoconversional treatment performed the kinetic study of the thermal degradation. The activation energies were determined to clarify the influence of each excipient on the thermal drug stability, an essential procedure in the pharmaceutical development, and all over the commercial live span, in Good Manufacturing Practices.
DOI: 10.6084/m9.figshare.14304258
title: Adherence to a stress ulcer prophylaxis protocol by critically ill patients: a prospective cohort study

description: ABSTRACT Objective: To evaluate adherence to the stress ulcer prophylaxis protocol in critically ill patients at a tertiary university hospital. Methods: In this prospective cohort study, we included all adult patients admitted to the medical and surgical intensive care units of an academic tertiary hospital. Our sole exclusion criterion was upper gastrointestinal bleeding at intensive care unit admission. We collected baseline variables and stress ulcer prophylaxis indications according to the institutional protocol and use of prophylaxis. Our primary outcome was adherence to the stress ulcer prophylaxis protocol. Secondary outcomes were appropriate use of stress ulcer prophylaxis, upper gastrointestinal bleeding incidence and factors associated with appropriate use of stress ulcer prophylaxis. Results: Two hundred thirty-four patients were enrolled from July 2nd through July 31st, 2018. Patients were 52 ± 20 years old, 125 (53%) were surgical patients, and the mean SAPS 3 was 52 ± 20. In the longitudinal follow-up, 1499 patient-days were studied; 1069 patient-days had stress ulcer prophylaxis indications, and 777 patient-days contained prophylaxis use (73% stress ulcer prophylaxis protocol adherence). Of the 430 patient-days without stress ulcer prophylaxis indications, 242 involved prophylaxis (56% inappropriate stress ulcer prophylaxis use). The overall appropriate use of stress ulcer prophylaxis was 64%. Factors associated with proper stress ulcer prophylaxis prescription were mechanical ventilation OR 2.13 (95%CI 1.64 - 2.75) and coagulopathy OR 2.77 (95%CI 1.66 - 4.60). The upper gastrointestinal bleeding incidence was 12.8%. Conclusion: Adherence to the stress ulcer prophylaxis protocol was low and inappropriate use of stress ulcer prophylaxis was frequent in this cohort of critically ill patients.
DOI: 10.6084/m9.figshare.14304251
title: Inhibition of Acetylcholinesterase by Coumarin-Linked Amino Acids Synthetized via Triazole Associated with Molecule Partition Coefficient

description: A previous study for the identification of acetylcholinesterase (AChE) inhibitors demonstrated that the hybrid between tyrosol, the 1,2,3-triazole nucleus, and the coumarin group, namely 7-({1-[2-(4-hydroxyphenyl)ethyl]-1H-1,2,3-triazol-4-yl}methoxy)-4-methyl-2H-chromen-2-one (10), has a high enzyme inhibitory activity. Here, we synthesized analogues of 10 via triazole with pharmacophoric groups represented by tyrosine, phenylalanine, tryptophan, and glycine in addition to evaluating the impact of coumarin-linked amino acids on AChE inhibition. We obtained eight triazoles, six of which are undescribed. In general, the presence of carboxylic acid decreased the inhibitory activity, while aromatic amino acids increased enzymatic inhibition compared to glycine. The derivative containing tyrosine, structurally most similar to 10, presented the lowest inhibition percentage, indicating that phenolic hydroxyl is not the preponderant factor for inhibition. Molecular docking was not enough to explain in vitro experiments. On the other hand, MlogP (logP calculated by the Moriguchi method) was related positively to enzymatic inhibition. To increase the hydrophobicity of the molecules, we tested the esterified triazole derivatives comparatively with the enzyme. The compound ethyl 2-(4-(((4-methyl-2-oxo-2H-chromen-7-yl)oxy)methyl)-1H-1,2,3-triazol-1-yl)acetate (6) presented an increment of inhibitory activity of 46.97 ± 1.75% at 100 μmol L-1. We also associated the best activity with the lowest van der Waals volume and molar mass values.
DOI: 10.6084/m9.figshare.14304246
title: Synthesis of 1,2,3-Triazole Benzophenone Derivatives and Evaluation of in vitro Sun Protection, Antioxidant Properties, and Antiproliferative Activity on HT-144 Melanoma Cells

description: Benzophenones display several biological activities, including antioxidant, anticancer, and photoprotective. Furthermore, antioxidants can minimize both ultraviolet absorption and tumor development. In the present investigation, a series of twenty-six 1,2,3-triazole-benzophenone derivatives were synthesized and had their antioxidant, anticancer, and photoprotective effects evaluated. For the compounds synthesis, 4,4’-dihydroxybenzophenone (1a) and 2,4-dihydroxybenzophenone (1b) were propargylated, affording the alkynes bis(4-(prop-2-yn-1-yloxy))benzophenone (2a) and (2-hydroxy-4-(prop-2-yn-1-yloxy))benzophenone (2b), respectively. The copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC) reaction between the compounds 2a/2b and several benzyl azides gave the 1,2,3-triazole-benzophenone derivatives with yields ranging from 35 to 95%. The 1,2,3-triazole-benzophenone derivatives at the concentration of 0.2 μg mL-1 (a no-cytotoxic concentration) exhibited a solar protection factor (SPF) comparable to positive control benzophonen-3 (BP-3). Concerning their antioxidant and cytotoxic effects, the derivatives from 1b showed high in vitro antioxidant effects as well as cytotoxicity against A549 (lung carcinoma), MCF-7 (breast carcinoma), and HT-144 (metastatic melanoma) cell lines, without significant cytotoxicity to a non-cancerous cell line. Derivatives 19, 20, and 24 induced cell death and cell cycle arrest at G1/S in HT-144 melanoma cells.
DOI: 10.6084/m9.figshare.14304244
title: Metal Distribution in the Environmental Compartments of Manguaba Lagoon (Alagoas State, Brazil)

description: The metal concentrations in water, sediments and mollusks (Tagelus plebeius) of the Manguaba Lagoon and the influence of humic substances from water and sediments in the distribution of these metals were investigated in this work. The mean metal concentrations in water were: Mg (89.0 ± 0.11), Ca (32.0 ± 0.10), Fe (0.97 ± 0.02), Mn (0.52 ± 0.01), Zn (0.33 ± 0.10) and Pb (0.22 ± 0.02) mg L-1. The Pb concentrations were above the Brazilian legislation limit. All sediment data were below maximum limit established by the National Council for the Environment (CONAMA, Brazil) of the Ministry of the Environment, and the concentration ranges for metals were: Fe (1199-60000), Mg (339-8870), Ca (461-3838), Cr (&lt; LOQ-39.5) and Pb (&lt; LOQ-12.5) mg kg-1 (LOQ: limit of quantification). None of the principal contaminants (Cr, Pb and Cd) was determined in Tagelus plebeius, being a positive fact once the population nearby Manguaba Lagoon consumes large amounts of this mollusk. According to the results, the influence of humic substances in the contaminant retention is evident as they become unavailable for absorption by mollusks of Manguaba Lagoon.
DOI: 10.6084/m9.figshare.14304243
title: PhotoMetrix UVC: A New Smartphone-Based Device for Digital Image Colorimetric Analysis Using PLS Regression

description: A novel free PhotoMetrix UVC is proposed for both the operation of a universal serial bus video camera (UVC) and multivariate image analysis, allowing a full solution for point-of-use analysis. A UVC was placed in an open-source 3D-printed chamber illuminated by a white light-emitting diode (LED) with controlled intensity of light. The digital images captured were converted into red, green, and blue (RGB) histograms, and regression models were used within the app. As a proof-of-concept, four adulterants in raw milk samples were determined. The coefficient of determination (R2Cal) for all models was higher than 0.99, and no significant differences (p &lt; 0.05) between the measured and predicted values were identified. The root mean square error of calibration (RMSEC) and root mean square error of cross validation (RMSECV) were satisfactory, with values less than 0.1 and 0.7 g L-1, respectively. The recoveries ranged from 90 to 120% in spiked milk samples, and partial least square (PLS) models showed root mean square error of prediction (RMSEP) of 0.28, 0.33, 0.48 and 0.39 g L-1 for chloride, hypochlorite, hydrogen peroxide and starch, respectively. The PhotoMetrix UVC app was feasible for the colorimetric chemical analysis using a smartphone improving the applicability, mobility, and usability.
DOI: 10.6084/m9.figshare.14304241
title: Organic Matter Leached from Tropical Soils by Simulated Rain, Hard (NaOH) and Soft (NaNO3) Extractions: A Realistic Study about Risk Assessment in Soils

description: Alkaline extractions from humic material are used to risk assessment in soils. However, there are questions about the type of extraction most suitable for this evaluation. Thus, this work evaluated different soil extractions in search of realistic environmental conditions (simulated rain). The parameters obtained revealed significant differences between the levels and structural characteristics of organic matter, depending on the extractant used, reinforcing the importance of developing methodologies and analytical procedures that minimize structural changes and may be more representative of the molecular structures of organic matter found in soils. The results showed that the material extracted by simulated rain is similar to the fulvic acids of the soil organic matter extracted by alkaline extraction showing the importance of this type of extraction for risk assessment studies in soils.
DOI: 10.6084/m9.figshare.14304238
title: Perovskite-Type Oxides La0.6M0.4Ni0.6Cu0.4O3 (M = Ag, Ba, Ce) towards the Oxygen Reduction Reaction (ORR) in Alkaline Medium: Structural Aspects and Electrocatalytic Activity

description: In this work, La0.6M0.4Ni0.6Cu0.4O3 (M = Ag, Ba, and Ce, denoted as LANC, LBNC, and LCNC, respectively) electrocatalysts were synthesized by the Pechini method at 1023 K for two hours in air. Rietveld refinement allowed the identification of the crystallographic phases present in all oxides. The electrocatalytic performance of these oxides towards the oxygen reduction reaction (ORR) was examined in alkaline medium by rotating disk electrode (RDE) technique and scanning electrochemical microscopy (SECM) in the redox competition mode. The results indicate that the best performance was found with the LANC electrocatalyst prepared with carbon as a conducting agent (LANC/Carbon), which showed good catalytic activity towards the ORR via a pseudo four-electron transfer pathway. The enhanced electrocatalytic activity of LANC is probably a result of the presence of a Ag phase, which improves the synergistic effect between the perovskite and carbon added to increase the conductivity, thus leading to a higher ORR performance when compared to other materials.
DOI: 10.6084/m9.figshare.14304237
title: Synthesis of Hydroxybenzodiazepines with Potential Antioxidant and Antifungal Action

description: Benzodiazepines derivatives are nitrogen heterocyclic compounds that have various industrial, synthetic, and medicinal applications. Therefore, its potential fully justifies every effort towards the improvement of new, selective, and competent production of these heterocyclic compounds. The novelty of this study encompasses the synthesis of new hydroxylated analogs of 1,5-benzodiazepine together with the evaluation of their biological potential as antioxidants and antifungals candidates. Additionally, the reported antifungal activity against fungi of the Sporothrix schenckii complex inaugurates an unprecedented property for this class of compounds. The results of biological activities assays suggest that the novel 2,7-dimethyl-2,4-bis(4-hydroxyphenyl)-2,3-dihydro-1H-1,5-benzodiazepine possesses a high antifungal activity against all fungal strains evaluated of the Sporothrix genus and outstanding total antioxidant capacity. Besides, in silico studies have evidenced that the hydroxylated derivatives have the best aqueous solubility and cell permeability profile, which makes them superior in comparison with the commercial antifungal itraconazole, a drug commonly used in the treatment of sporotrichosis.
DOI: 10.6084/m9.figshare.14304236
title: Synthesis and Biological Evaluation of Benzo[f]indole-4,9-diones N-Linked to Carbohydrate Chains as New Type of Antitumor Agents

description: In this work, we report the synthesis of three series of carbohydrate-based benzo[f]indole-4,9-diones and amino-1,4-naphthoquinone derivatives and evaluated their cytotoxic activity against eight human cancer cell lines. Several compounds showed a promising cytotoxic activity toward the tumor cell lines (half maximal inhibitory concentration (IC50) &lt; 10.0 μM). The importance of the substitution pattern of the quinone derivatives on the antitumor activity was also discussed. 3-Carboethoxy-2-methyl-benzo[f]indole-4,9-dione derivatives were more cytotoxic than their parent compounds and amino-1,4-naphthoquinones. Unlike clinically useful anticancer agent doxorubicin, the majority of synthesized compounds did not exhibit any lytic effects against erythrocytes or normal human leukocytes.
DOI: 10.3886/e101199v1-82225
title: New Deal Studies

description: These are a series of data sets from our projects on the New Deal. For a survey of the projects, see <br>Price Fishback. “How Successful Was the New Deal? The Microeconomic Impact of New Deal Spending and Lending Policies” Journal of Economic Literature 55(4) (December 2017): 1435-85. <br>
DOI: 10.6084/m9.figshare.14304231
title: New Greener Method for the Preparation of Heteropolyacid Compounds (HPW) Modified with Metallic Tin and Application in the Lactic Acid Esterification Reaction

description: The main objective of this work was to design an innovative method to prepare heterogeneous heteropolyacid catalysts. The heteropolyacid H3PW12O40 (HPW) was modified with tin(II) by two methodologies: a conventional aqueous ion-exchange (CS) and a redox solid-state (SS). In both cases, Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) measurements evidenced that Keggin structure was preserved. All materials were active in the esterification of lactic acid with several alcohols and a mechanism was proposed. The best results were obtained for octanol and benzyl alcohol, where higher conversion values were obtained. The catalytic activity (turnover frequency, TON) showed an efficient performance for the materials prepared with 4 h of calcination (CS4h and SS4h). However, the catalyst prepared by the SS method was in accordance with the development of environmentally friendly processes.
DOI: 10.6084/m9.figshare.14304228
title: Magnetic and Mesoporous Silica-Niobia Material as Modifier of Carbon Paste Electrode for p-Nitrophenol Electrochemical Determination

description: In the present work, the sol-gel synthesis method was employed as strategy to obtain a magnetic and mesoporous silica-niobia material. The planned synthesis was based on the hetero-condensation of niobium and silicon alkoxide precursors, in the presence of spherical magnetite particles. The resulting material presented interesting characteristics such as magnetism, large mesopores, in the range from 20 to 50 nm, and 68 m2 g-1 of surface area. These features allowed its use as modifier of carbon paste electrode for p-nitrophenol determination, since niobia has never been used in electrochemical sensors for the determination of nitrophenol compounds. By using differential pulse voltammetry technique, the electrode can be applied in a wide range of p-nitrophenol concentration, from 10 to 490 μmol L-1, with a limit of detection of 1.2 µmol L-1 and sensitivity up to 0.60 µA L µmol-1. The proposed electrode presented good sensitivity and selectivity and it was applied in real water samples.
DOI: 10.6084/m9.figshare.14304227
title: Multivariate Optimization of Extraction Variables of PAH in Particulate Matter (PM10) in Indoor/Outdoor Air at Campos dos Goytacazes, Brazil

description: Polycyclic aromatic hydrocarbons (PAH) are products of incomplete combustion of biomass and fossil fuels, that are produced on a larger scale by anthropogenic sources. Burning sugarcane plantations can be a source of atmospheric PAH in regions where this culture predominates. Campos dos Goytacazes, Brazil, is surrounded by sugarcane crops that still use fire as a facilitating method for the harvesting process. This study aims to evaluate the presence of outdoor and indoor PAH in 10 µm particulate matter (PM10) at one university in Campos dos Goytacazes. PM10 samples were collected from January to November 2018. Samples were extracted using an ultrasonic probe and analyzed by gas chromatography coupled to mass spectrometry (GC-MS). The ideal extraction conditions (3 min; 150 W; 50 mL) were defined by 23 full factorial design. The analysis showed a significant PM10 level increase (23.19 to 34.50 µg m-3 in outdoor, and 15.15 to 31.66 µg m-3 in indoor samples) and higher total PAH concentration in the harvesting season (outdoor: 0.73 ng m-3; indoor 0.52 ng m-3) than in non-harvesting season (outdoor: 0.49 ng m-3; indoor: 0.28 ng m-3), however, average PAH values found in outdoor samples in harvesting season did not show significant difference from non-harvesting season.
DOI: 10.6084/m9.figshare.14304224
title: Evaluation of the Direct Interaction between Amino Acids and Glutathione-Coated CdTe Quantum Dots and Application in Urinalysis for Histidine Determination

description: The present work aimed to direct amino acid (AA) sensing by quantum dots (QD) and development of an analytical method for potential fast clinical tests. Notably, AA with a positive charge or neutral polar chains, namely L-histidine (His) and L-threonine (Thr), responded to glutathione-coated CdTe (GSH-CdTe) (ΔF ≤ 90%, variation of fluorescence intensity). However, in ammoniacal buffer (0.25 mol L-1) at pH 8.0, 2.2 nm GSH-CdTe responded only to His. Static quenching with complex association constant (Ksv) varying from 2.81 to 0.94 (10 L mol-1) as well as van der Waals forces and/or hydrogen bonding were predicted for His-QD quenching mechanism and binding type. Additionally, thermodynamic parameters as ΔH = -76.5 kJ mol-1 (enthalpy), ΔS = -227.4 J K-1 mol-1 (entropy) and ΔG from -9.8 until -6.4 kJ mol-1 (Gibbs free energy) at 20 to 35 °C were estimated by van’t Hoff equation. Under optimal conditions, the developed method presented a linear range from 0.42 to 35 mmol L-1 (with correlation coefficient (r) of 0.9970, n = 7), good precision (relative standard deviations (RSD) &lt; 2.5% for 2.5 and 20 mmol L-1; n = 6) and limit of detection 1.6 × 10-4 mol L-1 (0.025 mg mL-1). Recovery tests were performed on artificial urine and human urine samples with recoveries ranging from 78.7 to 127.6%.