cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.6235448.v1
title: From Medicinal Chemistry to Human Health: Current Approaches to Drug Discovery for Cancer and Neglected Tropical Diseases

description: ABSTRACT Scientific and technological breakthroughs have compelled the current players in drug discovery to increasingly incorporate knowledge-based approaches. This evolving paradigm, which has its roots attached to the recent advances in medicinal chemistry, molecular and structural biology, has unprecedentedly demanded the development of up-to-date computational approaches, such as bio- and chemo-informatics. These tools have been pivotal to catalyzing the ever-increasing amount of data generated by the molecular sciences, and to converting the data into insightful guidelines for use in the research pipeline. As a result, ligand- and structure-based drug design have emerged as key pathways to address the pharmaceutical industry’s striking demands for innovation. These approaches depend on a keen integration of experimental and molecular modeling methods to surmount the main challenges faced by drug candidates - in vivo efficacy, pharmacodynamics, metabolism, pharmacokinetics and safety. To that end, the Laboratório de Química Medicinal e Computacional (LQMC) of the Universidade de São Paulo has developed forefront research on highly prevalent and life-threatening neglected tropical diseases and cancer. By taking part in global initiatives for pharmaceutical innovation, the laboratory has contributed to the advance of these critical therapeutic areas through the use of cutting-edge strategies in medicinal chemistry.
DOI: 10.6084/m9.figshare.6235445
title: Land management in mined areas: social, economic, historical and environmental issues. The case of the Morro da Mina mine and the Meridional School, In Conselheiro Lafaiete, MG

description: Abstract: The article deals with the complex reality of the management of territories in mined areas, considering the different actors that act in the production of the space. The urban will be treated as the structure of this space and basis of territorial integration. The conflict will be used as a case study in the municipality of Conselheiro Lafaiete-MG, between Vale, owner of the mine Morro da Mina, Meridional School and the impacts resulting from this conflict in the urban environment.
DOI: 10.6084/m9.figshare.6235445.v1
title: Land management in mined areas: social, economic, historical and environmental issues. The case of the Morro da Mina mine and the Meridional School, In Conselheiro Lafaiete, MG

description: Abstract: The article deals with the complex reality of the management of territories in mined areas, considering the different actors that act in the production of the space. The urban will be treated as the structure of this space and basis of territorial integration. The conflict will be used as a case study in the municipality of Conselheiro Lafaiete-MG, between Vale, owner of the mine Morro da Mina, Meridional School and the impacts resulting from this conflict in the urban environment.
DOI: 10.6084/m9.figshare.6235427
title: Argentina-Alzheimer's disease neuroimaging initiative (Arg-ADNI): neuropsychological evolution profile after one-year follow up

description: ABSTRACT The Argentina-Alzheimer's disease neuroimaging initiative (Arg-ADNI) study is a longitudinal prospective cohort of 50 participants at a single institution in Buenos Aires, Argentina. Longitudinal assessments on a neuropsychological test battery were performed on 15 controls, 24 mild cognitive impairment (MCI) patients and 12 Alzheimer's disease (AD) dementia patients. In our study population, there was a high prevalence of positive AD biomarkers in the AD group, 92.3% (12/13); and a low prevalence in the normal controls, 20%; almost half (48%) of the patients diagnosed with MCI had positive amyloid detection. After a one year, the significant differences found at baseline on neuropsychological testing were similar at the follow-up assessment even though the AD group had significantly altered its functional performance (FAQ and CDR). The exception was semantic fluency, which showed greater impairment between the AD group and MCI and normal controls respectively. For these tests, the addition of AD biomarkers as a variable did not significantly alter the variations previously found for the established clinical group's model. Finally, the one-year conversion rate to dementia was 20% in the MCI cohort.
DOI: 10.6084/m9.figshare.6235427.v1
title: Argentina-Alzheimer's disease neuroimaging initiative (Arg-ADNI): neuropsychological evolution profile after one-year follow up

description: ABSTRACT The Argentina-Alzheimer's disease neuroimaging initiative (Arg-ADNI) study is a longitudinal prospective cohort of 50 participants at a single institution in Buenos Aires, Argentina. Longitudinal assessments on a neuropsychological test battery were performed on 15 controls, 24 mild cognitive impairment (MCI) patients and 12 Alzheimer's disease (AD) dementia patients. In our study population, there was a high prevalence of positive AD biomarkers in the AD group, 92.3% (12/13); and a low prevalence in the normal controls, 20%; almost half (48%) of the patients diagnosed with MCI had positive amyloid detection. After a one year, the significant differences found at baseline on neuropsychological testing were similar at the follow-up assessment even though the AD group had significantly altered its functional performance (FAQ and CDR). The exception was semantic fluency, which showed greater impairment between the AD group and MCI and normal controls respectively. For these tests, the addition of AD biomarkers as a variable did not significantly alter the variations previously found for the established clinical group's model. Finally, the one-year conversion rate to dementia was 20% in the MCI cohort.
DOI: 10.6084/m9.figshare.6235421
title: Analysis of the landscape complexity and heterogeneity of the Pantanal wetland

description: Abstract This is the first report on analysis of habitat complexity and heterogeneity of the Pantanal wetland. The Pantanal encompasses a peculiar mosaic of environments, being important to evaluate and monitor this area concerning conservation of biodiversity. Our objective was to indirectly measure the habitat complexity and heterogeneity of the mosaic forming the sub-regions of the Pantanal, by means of remote sensing. We obtained free images of Normalized Difference Vegetation Index (NDVI) from the sensor MODIS and calculated the mean value (complexity) and standard deviation (heterogeneity) for each sub-region in the years 2000, 2008 and 2015. The sub-regions of Poconé, Canoeira, Paraguai and Aquidauana presented the highest values of complexity (mean NDVI), between 0.69 and 0.64 in the evaluated years. The highest horizontal heterogeneity (NDVI standard deviation) was observed in the sub-region of Tuiuiú, with values of 0.19 in the years 2000 and 2015, and 0.21 in the year 2008. We concluded that the use of NDVI to estimate landscape parameters is an efficient tool for assessment and monitoring of the complexity and heterogeneity of the Pantanal habitats, applicable in other regions.
DOI: 10.6084/m9.figshare.6235421.v1
title: Analysis of the landscape complexity and heterogeneity of the Pantanal wetland

description: Abstract This is the first report on analysis of habitat complexity and heterogeneity of the Pantanal wetland. The Pantanal encompasses a peculiar mosaic of environments, being important to evaluate and monitor this area concerning conservation of biodiversity. Our objective was to indirectly measure the habitat complexity and heterogeneity of the mosaic forming the sub-regions of the Pantanal, by means of remote sensing. We obtained free images of Normalized Difference Vegetation Index (NDVI) from the sensor MODIS and calculated the mean value (complexity) and standard deviation (heterogeneity) for each sub-region in the years 2000, 2008 and 2015. The sub-regions of Poconé, Canoeira, Paraguai and Aquidauana presented the highest values of complexity (mean NDVI), between 0.69 and 0.64 in the evaluated years. The highest horizontal heterogeneity (NDVI standard deviation) was observed in the sub-region of Tuiuiú, with values of 0.19 in the years 2000 and 2015, and 0.21 in the year 2008. We concluded that the use of NDVI to estimate landscape parameters is an efficient tool for assessment and monitoring of the complexity and heterogeneity of the Pantanal habitats, applicable in other regions.
DOI: 10.6084/m9.figshare.6235415
title: Reproductive cycle of Mytella guyanensis (Lamarck, 1819) in a Marine Reserve (RESEX Bay of Iguape), Bahia, Brazil

description: Abstract Mytella guyanensis, consumed and commercialized in coastal regions of Brazil, is one of several bivalve species of socioeconomic interest for coastal communities. Besides serving as a source of income and subsistence for these communities, it also contributes to their food security as it is a source of proteins and micronutrients. Thus, the reproductive cycle of this species was studied aiming to contribute to food security and its preservation. Samples were collected monthly, between March 2014 and March 2015, in a natural stock (12°38'50”S; 38°51'43”W) in a Marine Reserve (RESEX Bay of Iguape) (community Engenho da Ponte), Bahia, Brazil. Mytella guyanensis is collected by women on site, where the artisanal fishing of this resource is performed without following any specific handling procedure. Also, empirical evidence indicates overexploitation. The specimens collected were measured along the anterior-posterior axis (length), and after macroscopic analysis they were fixed in Davidson solution, processed by routine histology techniques and stained with Harris haematoxylin and eosin (H&E). The macroscopic analysis showed sexual dimorphism, with the male and female gonads presenting a milky-white and orange colour, respectively. A 1:1 sex ratio (M: F) was observed and reproduction of the species was continuous all year round. March, April, July and August were the months with highest values of gamete elimination. We suggest that a M. guyanensis management plan should restrict capture during these months, in order to sustainably regulate exploitation of this food resource in this reserve.
DOI: 10.6084/m9.figshare.6235415.v1
title: Reproductive cycle of Mytella guyanensis (Lamarck, 1819) in a Marine Reserve (RESEX Bay of Iguape), Bahia, Brazil

description: Abstract Mytella guyanensis, consumed and commercialized in coastal regions of Brazil, is one of several bivalve species of socioeconomic interest for coastal communities. Besides serving as a source of income and subsistence for these communities, it also contributes to their food security as it is a source of proteins and micronutrients. Thus, the reproductive cycle of this species was studied aiming to contribute to food security and its preservation. Samples were collected monthly, between March 2014 and March 2015, in a natural stock (12°38'50”S; 38°51'43”W) in a Marine Reserve (RESEX Bay of Iguape) (community Engenho da Ponte), Bahia, Brazil. Mytella guyanensis is collected by women on site, where the artisanal fishing of this resource is performed without following any specific handling procedure. Also, empirical evidence indicates overexploitation. The specimens collected were measured along the anterior-posterior axis (length), and after macroscopic analysis they were fixed in Davidson solution, processed by routine histology techniques and stained with Harris haematoxylin and eosin (H&E). The macroscopic analysis showed sexual dimorphism, with the male and female gonads presenting a milky-white and orange colour, respectively. A 1:1 sex ratio (M: F) was observed and reproduction of the species was continuous all year round. March, April, July and August were the months with highest values of gamete elimination. We suggest that a M. guyanensis management plan should restrict capture during these months, in order to sustainably regulate exploitation of this food resource in this reserve.
DOI: 10.6084/m9.figshare.6235412
title: Number Estimation Achievement of a Third and Fourth Graders Group

description: Abstract This study verified the ability for numerical estimation of 3rd and 4th graders from two public schools in Porto Alegre. In total, 143 children between 8 and 11 years old were evaluated in two number line estimation tasks on a scale from 0 to 100: number-to-position and position-to-number. The results indicated a linear representation of the participants’ accuracy in both tasks. They also showed that the performance of the 4th graders was higher than the 3rd graders and that the numerical representation shows a more linear development on 4th grade than on 3rd grade. In general, the students presented more accuracy on the position-to-number task, but there was a correlation between the two types of tasks, indicating a direct association between the two number line estimation tasks.
DOI: 10.6084/m9.figshare.6235412.v1
title: Number Estimation Achievement of a Third and Fourth Graders Group

description: Abstract This study verified the ability for numerical estimation of 3rd and 4th graders from two public schools in Porto Alegre. In total, 143 children between 8 and 11 years old were evaluated in two number line estimation tasks on a scale from 0 to 100: number-to-position and position-to-number. The results indicated a linear representation of the participants’ accuracy in both tasks. They also showed that the performance of the 4th graders was higher than the 3rd graders and that the numerical representation shows a more linear development on 4th grade than on 3rd grade. In general, the students presented more accuracy on the position-to-number task, but there was a correlation between the two types of tasks, indicating a direct association between the two number line estimation tasks.
DOI: 10.6084/m9.figshare.6235409
title: Microencapsulation of essential thyme oil by spray drying and its antimicrobial evaluation against Vibrio alginolyticus and Vibrio parahaemolyticus

description: Abstract The aims of this research were first, to evaluate the antibacterial potential of commercial thyme essential oil against V. alginolyticus and V. parahaemolyticys and second, using the spray drying technique to produce microcapsules. chemical compounds of thyme oil and microcapsules were identified and quantified being thymol the chemical component present at the highest concentration. Oil-in-water (O/W) emulsions were prepared and the microcapsules were obtained with a spray dryer using maltodextrin as wall material (ratio 1:4). Thyme oil and the microcapsules exhibited antimicrobial activity against V. parahaemolyticus and V. alginolyticus. The spray drying process did not affect the antimicrobial activity of thyme essentialoil.
DOI: 10.6084/m9.figshare.6235409.v1
title: Microencapsulation of essential thyme oil by spray drying and its antimicrobial evaluation against Vibrio alginolyticus and Vibrio parahaemolyticus

description: Abstract The aims of this research were first, to evaluate the antibacterial potential of commercial thyme essential oil against V. alginolyticus and V. parahaemolyticys and second, using the spray drying technique to produce microcapsules. chemical compounds of thyme oil and microcapsules were identified and quantified being thymol the chemical component present at the highest concentration. Oil-in-water (O/W) emulsions were prepared and the microcapsules were obtained with a spray dryer using maltodextrin as wall material (ratio 1:4). Thyme oil and the microcapsules exhibited antimicrobial activity against V. parahaemolyticus and V. alginolyticus. The spray drying process did not affect the antimicrobial activity of thyme essentialoil.
DOI: 10.6084/m9.figshare.6235400
title: Impact of body mass index on survival outcome in patients with differentiated thyroid cancer

description: Abstract Introduction Increased body mass index is known to be associated with the high prevalence of differentiated thyroid cancers; however data on its impact on survival outcome after thyroidectomy and adjuvant therapy is scanty. Objective We aimed to evaluate the impact of body mass index on overall survival and disease free survival rates in patients with differentiated thyroid cancers. Methods Between 2000 and 2011, 209 patients with differentiated thyroid cancers (papillary, follicular, hurthle cell) were treated with thyroidectomy followed by adjuvant radioactive iodine-131 therapy and thyroid-stimulating hormone suppression. Based on body mass index, patients were divided into five groups; (a) &lt;18.5 kg/m2 (underweight); (b) 18.5-25 kg/m2 (normal weight); (c) 26-30 kg/m2 (overweight); (d) 31-40 kg/m2 (obese) and (e) &gt;40 kg/m2 (morbid obese). Various demographic, clinical and treatment characteristics and related toxicity and outcomes (overall survival, and disease free survival) were analyzed and compared. Results Median follow up period was 5.2 years (0.6-10). Mean body mass index was 31.3 kg/m2 (17-72); body mass index 31-40 kg/m2 was predominant (89 patients, 42.6%) followed by 26-30 kg/m2 seen in 58 patients (27.8%). A total of 18 locoregional recurrences (8.6%) and 12 distant metastasis (5.7%) were seen. The 10 year disease free survival and overall survival rates were 83.1% and 58.0% respectively. No significant impact of body mass index on overall survival or disease free survival rates was found (p = 0.081). Similarly, multivariate analysis showed that body mass index was not an independent prognostic factor for overall survival and disease free survival. Conclusion Although body mass index can increase the risk of thyroid cancer, it has no impact on treatment outcome; however, further trials are warranted.
DOI: 10.6084/m9.figshare.6235400.v1
title: Impact of body mass index on survival outcome in patients with differentiated thyroid cancer

description: Abstract Introduction Increased body mass index is known to be associated with the high prevalence of differentiated thyroid cancers; however data on its impact on survival outcome after thyroidectomy and adjuvant therapy is scanty. Objective We aimed to evaluate the impact of body mass index on overall survival and disease free survival rates in patients with differentiated thyroid cancers. Methods Between 2000 and 2011, 209 patients with differentiated thyroid cancers (papillary, follicular, hurthle cell) were treated with thyroidectomy followed by adjuvant radioactive iodine-131 therapy and thyroid-stimulating hormone suppression. Based on body mass index, patients were divided into five groups; (a) &lt;18.5 kg/m2 (underweight); (b) 18.5-25 kg/m2 (normal weight); (c) 26-30 kg/m2 (overweight); (d) 31-40 kg/m2 (obese) and (e) &gt;40 kg/m2 (morbid obese). Various demographic, clinical and treatment characteristics and related toxicity and outcomes (overall survival, and disease free survival) were analyzed and compared. Results Median follow up period was 5.2 years (0.6-10). Mean body mass index was 31.3 kg/m2 (17-72); body mass index 31-40 kg/m2 was predominant (89 patients, 42.6%) followed by 26-30 kg/m2 seen in 58 patients (27.8%). A total of 18 locoregional recurrences (8.6%) and 12 distant metastasis (5.7%) were seen. The 10 year disease free survival and overall survival rates were 83.1% and 58.0% respectively. No significant impact of body mass index on overall survival or disease free survival rates was found (p = 0.081). Similarly, multivariate analysis showed that body mass index was not an independent prognostic factor for overall survival and disease free survival. Conclusion Although body mass index can increase the risk of thyroid cancer, it has no impact on treatment outcome; however, further trials are warranted.
DOI: 10.6084/m9.figshare.6235397
title: Water quality in Vão Grande quilombola communities, municipality of Barra do Bugres (MT)

description: ABSTRACT The objective of this study was to analyze the quality of water consumed by residents of the communities Morro Redondo and Baixios in the Quilombola settlement in Vão Grande, municipality of Barra do Bugres, Mato Grosso, Brazil; and to analyze the potential risks to public health. The following parameters were evaluated: alkalinity, hardness, turbidity, electrical conductivity, chemical oxygen demand, pH, temperature, chlorides, calcium, magnesium, sodium, iron and potassium, in different surface sources of water supply. Results were compared with parameters that define the potability of water. Samples were collected from July 2013 to April 2014, always near the 15th day of each month. The variables alkalinity and pH presented minimum values lower than the expected; and the variables turbidity and electrical conductivity showed maximum values above the limit. In general, the evaluated water sources present good quality, not offering potential risk to health. However, for safe consumption, it is recommended at least filtration and disinfection.
DOI: 10.6084/m9.figshare.6235397.v1
title: Water quality in Vão Grande quilombola communities, municipality of Barra do Bugres (MT)

description: ABSTRACT The objective of this study was to analyze the quality of water consumed by residents of the communities Morro Redondo and Baixios in the Quilombola settlement in Vão Grande, municipality of Barra do Bugres, Mato Grosso, Brazil; and to analyze the potential risks to public health. The following parameters were evaluated: alkalinity, hardness, turbidity, electrical conductivity, chemical oxygen demand, pH, temperature, chlorides, calcium, magnesium, sodium, iron and potassium, in different surface sources of water supply. Results were compared with parameters that define the potability of water. Samples were collected from July 2013 to April 2014, always near the 15th day of each month. The variables alkalinity and pH presented minimum values lower than the expected; and the variables turbidity and electrical conductivity showed maximum values above the limit. In general, the evaluated water sources present good quality, not offering potential risk to health. However, for safe consumption, it is recommended at least filtration and disinfection.
DOI: 10.6084/m9.figshare.6235394
title: Constructions in Plane Euclidean Geometry: the Perspectives Opened by Didactic Strategies with Technologies

description: Abstract The study presented in this article is linked to a qualitative research carried out with a group of primary school students, whose main purpose was to study the processes of knowledge construction in Euclidean plane geometry, considering, as main subject, the Pythagorean theorem. The research is based on the proposition of problematized activities in a didactic strategy that predicted the work with geometric constructions and the use of a version of the Logo software, in order to observe how and in what form this process is established in a significant way, and the way in which the fluency in digital technologies influences the construction of conjectures by the subjects. The assumptions derived from the Theory of Didactic Situations were adopted for the analysis, together with the Theory of Significant Learning, and influenced the construction of didactic sequences, composed of problems, which proposals of resolution were presented by the students. In this sense, it was possible to observe, as results obtained by investigation process, during the resolution trajectories chosen by the subjects, several characteristics of the subjects’ learning, including correct and wrong answers, evidenced by both the use of the software and written proposals in the protocols produced, which allowed, from this convergence, to indicate the main advances observed with the use of the strategy adopted.