cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.21213230
title: Molecular Docking in silico Analysis of Brazilian Essential Oils Against Host Targets and SARS-CoV-2 Proteins

description: The inhibitory activity of thirty-one sesquiterpenes identified from Brazilian essential oils (Copaifera langsdorffii Desf., Croton cajucara Benth. and Siparuna guianensis Aublet.) were analyzed by in silico molecular docking. The compounds were characterized by gas chromatography-mass spectrometry (GC-MS) and gas chromatography with flame-ionization detection (GC-FID), and then, applied against severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) proteins and human angiotensin-converting enzyme 2 (hACE2). Applying molecular docking and AutoDock Vina software, a total of 496 individual interactions were detected for sesquiterpenes along with SARS-CoV-2 proteins and hACE2 human angiotensin converting enzyme-2 protein. The findings showed considerable binding affinity of sesquiterpenes with the tested macromolecules. In that, β-selinene from C. langsdorffii displayed the best energy (−7.2 kcal mol-1) and showed strong interactions with the amino acids of the SARS-CoV-2 M-Pro protein. Spathulenol from C. cajucara strongly interacted with human ACE2, with a binding energy of −7.1 kcal mol-1. Meanwhile, γ-eudesmol from S. guianensis presented the lowest binding energy (−7.5 kcal mol-1) by interacting with the SARS-CoV-2 M-Pro complex. Additionally, measurements were performed aiming to evaluate the best sesquiterpenes binding interactions with the main proteins and its homologue files. According to results, these Brazilian essential oils hold antiviral potential being a rich source for further in vitro and in vivo studies focusing on herbal therapeutic adjuvants against SARS-CoV-2 infections.
DOI: 10.6084/m9.figshare.21213230.v1
title: Molecular Docking in silico Analysis of Brazilian Essential Oils Against Host Targets and SARS-CoV-2 Proteins

description: The inhibitory activity of thirty-one sesquiterpenes identified from Brazilian essential oils (Copaifera langsdorffii Desf., Croton cajucara Benth. and Siparuna guianensis Aublet.) were analyzed by in silico molecular docking. The compounds were characterized by gas chromatography-mass spectrometry (GC-MS) and gas chromatography with flame-ionization detection (GC-FID), and then, applied against severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) proteins and human angiotensin-converting enzyme 2 (hACE2). Applying molecular docking and AutoDock Vina software, a total of 496 individual interactions were detected for sesquiterpenes along with SARS-CoV-2 proteins and hACE2 human angiotensin converting enzyme-2 protein. The findings showed considerable binding affinity of sesquiterpenes with the tested macromolecules. In that, β-selinene from C. langsdorffii displayed the best energy (−7.2 kcal mol-1) and showed strong interactions with the amino acids of the SARS-CoV-2 M-Pro protein. Spathulenol from C. cajucara strongly interacted with human ACE2, with a binding energy of −7.1 kcal mol-1. Meanwhile, γ-eudesmol from S. guianensis presented the lowest binding energy (−7.5 kcal mol-1) by interacting with the SARS-CoV-2 M-Pro complex. Additionally, measurements were performed aiming to evaluate the best sesquiterpenes binding interactions with the main proteins and its homologue files. According to results, these Brazilian essential oils hold antiviral potential being a rich source for further in vitro and in vivo studies focusing on herbal therapeutic adjuvants against SARS-CoV-2 infections.
DOI: 10.6084/m9.figshare.21310360
title: Prediction of the natural distribution and conservation of Urena lobata L. in Brazil

description: ABSTRACT Urena lobata L. is a commercial species used for fiber extraction in the Brazilian states of Amazonas and Pará that presents relevant socioeconomic importance for the Amazon region. Despite its importance and wide distribution throughout Brazil, there are no data on the species response to global climate change. This study aimed to present the potential geographical distribution of U. lobata in the current period (2009-2019) and predict areas of climatic suitability for its occurrence in two future scenarios (RCP 4.5 and RCP 8.5), at two time intervals (2020-2050 and 2051-2070), in the face of global climate change. A total of 19 bioclimatic variables were obtained from the WorldClim database and four algorithms (Climate Space Model, Envelope Score, Niche Mosaic and Environmental Distance), from which the Envelope Score was the most representative model for the species to verify its occurrence along the Brazilian phytogeographic domains (Amazon, Caatinga, Cerrado, Pantanal, Atlantic Forest and Pampa). Vulnerability was observed for the species, since there were losses of favorable areas in the Amazon, Pantanal, Atlantic Forest, Cerrado and Caatinga, becoming practically extinct in the worst scenario (RCP 8.5), in the year 2070. However, for this same scenario and year, there was a significant area increase in the Pampa.
DOI: 10.6084/m9.figshare.21310360.v1
title: Prediction of the natural distribution and conservation of Urena lobata L. in Brazil

description: ABSTRACT Urena lobata L. is a commercial species used for fiber extraction in the Brazilian states of Amazonas and Pará that presents relevant socioeconomic importance for the Amazon region. Despite its importance and wide distribution throughout Brazil, there are no data on the species response to global climate change. This study aimed to present the potential geographical distribution of U. lobata in the current period (2009-2019) and predict areas of climatic suitability for its occurrence in two future scenarios (RCP 4.5 and RCP 8.5), at two time intervals (2020-2050 and 2051-2070), in the face of global climate change. A total of 19 bioclimatic variables were obtained from the WorldClim database and four algorithms (Climate Space Model, Envelope Score, Niche Mosaic and Environmental Distance), from which the Envelope Score was the most representative model for the species to verify its occurrence along the Brazilian phytogeographic domains (Amazon, Caatinga, Cerrado, Pantanal, Atlantic Forest and Pampa). Vulnerability was observed for the species, since there were losses of favorable areas in the Amazon, Pantanal, Atlantic Forest, Cerrado and Caatinga, becoming practically extinct in the worst scenario (RCP 8.5), in the year 2070. However, for this same scenario and year, there was a significant area increase in the Pampa.
DOI: 10.6084/m9.figshare.21310363
title: DISABILITY, DIVERSITY, AND DIFFERENCE: IDIOSYNCRASIES AND CONCEPTUAL DIFFERENCES

description: ABSTRACT: Since 1980, the United Nations (UN) has played a leading role in disseminating international guidelines against violence, discrimination, and deprivation of human rights and fundamental freedoms. Considering this, the Brazilian political and legal framework for inclusion has expanded considerably in recent decades, bringing transversal regulations in favor of specific identity groups, such as people with disabilities, women, and ethnic-racial collectives. Although they are part of the emerging agenda, when confronted by the complex framework of barriers and social exclusions, official inclusion and diversity discourses present idiosyncrasies and contradictions that can even camouflage political intentions, often disconnected from the struggles of the collectives focused by inclusion policies. In this context, this article aims to characterize conceptual differences between disability, diversity, and human differences. We conclude that the definitions and objects of analysis sometimes align with the critical perceptions of the discourse, while at other times reproduce the normative view of subjects-body-minds, camouflaging, often subtly, the asymmetric social construction of human differences in official rhetoric about inclusion and diversity.
DOI: 10.6084/m9.figshare.21310363.v1
title: DISABILITY, DIVERSITY, AND DIFFERENCE: IDIOSYNCRASIES AND CONCEPTUAL DIFFERENCES

description: ABSTRACT: Since 1980, the United Nations (UN) has played a leading role in disseminating international guidelines against violence, discrimination, and deprivation of human rights and fundamental freedoms. Considering this, the Brazilian political and legal framework for inclusion has expanded considerably in recent decades, bringing transversal regulations in favor of specific identity groups, such as people with disabilities, women, and ethnic-racial collectives. Although they are part of the emerging agenda, when confronted by the complex framework of barriers and social exclusions, official inclusion and diversity discourses present idiosyncrasies and contradictions that can even camouflage political intentions, often disconnected from the struggles of the collectives focused by inclusion policies. In this context, this article aims to characterize conceptual differences between disability, diversity, and human differences. We conclude that the definitions and objects of analysis sometimes align with the critical perceptions of the discourse, while at other times reproduce the normative view of subjects-body-minds, camouflaging, often subtly, the asymmetric social construction of human differences in official rhetoric about inclusion and diversity.
DOI: 10.6084/m9.figshare.21310365.v1
title: Epidemiological and clinical analyses of corneal transplants performed in a reference eye center in Recife, Brazil

description: ABSTRACT Purpose: To evaluate the epidemiological and clinical profiles of corneal transplants performed in a reference eye center in Recife, state of Pernambuco, Northeastern Brazil. Methods: This cross-sectional study collected epidemiological and clinical data from the medical records of patients who underwent keratoplasty at the Altino Ventura Foundation between January and December 2017. Results: A total of 356 procedures were performed in 327 patients, of whom 165 (50.5%) were female. The mean age at surgery was 50.9 ± 22.6 years (range, 10-89 years). Most patients (n=152 [46.5%]) were from the capital and metropolitan areas. The mean waiting time for keratoplasty was 52.4 ± 58.9 days (range, 0-460 days). The main indications for keratoplasty were infectious keratitis (n=88 [24.7%]), keratoconus (n=80 [22.5%]), and previous transplant failure (n=75 [21.1%]). Penetrating keratoplasty was the most common surgical technique performed (n=213 [59.9%]) and more frequently performed in men (n=132 [76.7%]), whereas posterior lamellar transplant (n=143 [41.1%]) was more frequently performed in women (p&lt;0.001). Conclusion: Infectious keratitis was the main indication for keratoplasty, which was similarly performed in economically active adults of both sexes. Penetrating keratoplasty was more frequently performed in men and lamellar transplants in women.
DOI: 10.6084/m9.figshare.21310365
title: Epidemiological and clinical analyses of corneal transplants performed in a reference eye center in Recife, Brazil

description: ABSTRACT Purpose: To evaluate the epidemiological and clinical profiles of corneal transplants performed in a reference eye center in Recife, state of Pernambuco, Northeastern Brazil. Methods: This cross-sectional study collected epidemiological and clinical data from the medical records of patients who underwent keratoplasty at the Altino Ventura Foundation between January and December 2017. Results: A total of 356 procedures were performed in 327 patients, of whom 165 (50.5%) were female. The mean age at surgery was 50.9 ± 22.6 years (range, 10-89 years). Most patients (n=152 [46.5%]) were from the capital and metropolitan areas. The mean waiting time for keratoplasty was 52.4 ± 58.9 days (range, 0-460 days). The main indications for keratoplasty were infectious keratitis (n=88 [24.7%]), keratoconus (n=80 [22.5%]), and previous transplant failure (n=75 [21.1%]). Penetrating keratoplasty was the most common surgical technique performed (n=213 [59.9%]) and more frequently performed in men (n=132 [76.7%]), whereas posterior lamellar transplant (n=143 [41.1%]) was more frequently performed in women (p&lt;0.001). Conclusion: Infectious keratitis was the main indication for keratoplasty, which was similarly performed in economically active adults of both sexes. Penetrating keratoplasty was more frequently performed in men and lamellar transplants in women.
DOI: 10.6084/m9.figshare.21310369
title: Purtscher-like retinopathy in a patient with COVID-19-associated coagulopathy

description: ABSTRACT The most frequently reported ophthalmic manifestation of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection is conjunctivitis. We have described a case of Purtscher-like retinopathy in a patient with severe coronavirus disease 2019 (COVID-19)-associated coagulopathy. A young woman with multiple comorbidities was admitted for COVID-19-related acute respiratory distress syndrome. Her course was complicated by fungemia. Ophthalmic examination revealed bilateral posterior pole, intraretinal lesions and fluconazole was added for presumed fungal retinitis. At 1-week follow-up, widespread peripapillary cotton-wool spots and hemorrhages suggestive of Purtscher-like retinopathy were observed. The levels of D-dimers, fibrinogen, and C-reactive protein were markedly elevated prior to our consultation, indicating preceding prothrombotic and pro-inflammatory states. Subsequent venous duplex revealed deep venous thrombosis in the right subclavian and internal jugular veins. Von Willebrand factor indices were markedly elevated, suggesting severe COVID-19-associated coagulopathy. Purtscher-like retinopathy, a rare occlusive microangiopathy has been described in various pro-inflammatory and prothrombotic conditions. To the best of our knowledge, this is the first report of Purtscher-like retinopathy in COVID-19-associated coagulopathy.
DOI: 10.6084/m9.figshare.21310369.v1
title: Purtscher-like retinopathy in a patient with COVID-19-associated coagulopathy

description: ABSTRACT The most frequently reported ophthalmic manifestation of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection is conjunctivitis. We have described a case of Purtscher-like retinopathy in a patient with severe coronavirus disease 2019 (COVID-19)-associated coagulopathy. A young woman with multiple comorbidities was admitted for COVID-19-related acute respiratory distress syndrome. Her course was complicated by fungemia. Ophthalmic examination revealed bilateral posterior pole, intraretinal lesions and fluconazole was added for presumed fungal retinitis. At 1-week follow-up, widespread peripapillary cotton-wool spots and hemorrhages suggestive of Purtscher-like retinopathy were observed. The levels of D-dimers, fibrinogen, and C-reactive protein were markedly elevated prior to our consultation, indicating preceding prothrombotic and pro-inflammatory states. Subsequent venous duplex revealed deep venous thrombosis in the right subclavian and internal jugular veins. Von Willebrand factor indices were markedly elevated, suggesting severe COVID-19-associated coagulopathy. Purtscher-like retinopathy, a rare occlusive microangiopathy has been described in various pro-inflammatory and prothrombotic conditions. To the best of our knowledge, this is the first report of Purtscher-like retinopathy in COVID-19-associated coagulopathy.
DOI: 10.6084/m9.figshare.21310375
title: Correction methods for noncontact intraocular pressure measurement in patients with keratoconus and healthy individuals

description: ABSTRACT Purpose: The objective of this study was to investigate the usefulness of four different algorithms to correct noncontact intraocular pressure measurement errors in keratoconus patients and normal individuals. Methods: Noncorrected intraocular pressure and corrected intraocular pressures were measured in one eye of 34 patients with keratoconus and 34 age- and gender-matched healthy controls using Corvis Scheimpflug Technology. The correlation of noncorrected intraocular pressure and corrected intraocular pressures with age, axial length, corneal shape, thickness, and biomechanics was calculated. Corrected intraocular pressures were compared with noncorrected intraocular pressure using paired t test and Bland-Altman plots (95% limits of agreement). Results: The noncorrected intraocular pressure correlated with corneal thickness and biomechanical parameters in both groups (all p≤0.047), and front and back mean keratometry in the keratoconus group (r=-0.39, p=0.02, and r=0.39, p=0.02, respectively). After adjustment with different intraocular pressure correction algorithms, biomechanically corrected intraocular pressure showed a minimal correlation with corneal features and a nonsignificant difference with noncorrected intraocular pressure in the healthy group (-0.1 ± 1.1 mmHg, p=0.58; 95% limits of agreement: -2.3 to 2.1 mmHg). Conclusions: Measuring intraocular pressure using noncontact tonometry and its corrected forms with a corneal thickness-based simple linear formula in patients with keratoconus is associated with many errors. Using more complex formulas that take into consideration more corneal stiffness parameters in addition to corneal thickness, such as biomechanically corrected intraocular pressure formula, may be more reliable and beneficial in this group of patients.
DOI: 10.6084/m9.figshare.21310375.v1
title: Correction methods for noncontact intraocular pressure measurement in patients with keratoconus and healthy individuals

description: ABSTRACT Purpose: The objective of this study was to investigate the usefulness of four different algorithms to correct noncontact intraocular pressure measurement errors in keratoconus patients and normal individuals. Methods: Noncorrected intraocular pressure and corrected intraocular pressures were measured in one eye of 34 patients with keratoconus and 34 age- and gender-matched healthy controls using Corvis Scheimpflug Technology. The correlation of noncorrected intraocular pressure and corrected intraocular pressures with age, axial length, corneal shape, thickness, and biomechanics was calculated. Corrected intraocular pressures were compared with noncorrected intraocular pressure using paired t test and Bland-Altman plots (95% limits of agreement). Results: The noncorrected intraocular pressure correlated with corneal thickness and biomechanical parameters in both groups (all p≤0.047), and front and back mean keratometry in the keratoconus group (r=-0.39, p=0.02, and r=0.39, p=0.02, respectively). After adjustment with different intraocular pressure correction algorithms, biomechanically corrected intraocular pressure showed a minimal correlation with corneal features and a nonsignificant difference with noncorrected intraocular pressure in the healthy group (-0.1 ± 1.1 mmHg, p=0.58; 95% limits of agreement: -2.3 to 2.1 mmHg). Conclusions: Measuring intraocular pressure using noncontact tonometry and its corrected forms with a corneal thickness-based simple linear formula in patients with keratoconus is associated with many errors. Using more complex formulas that take into consideration more corneal stiffness parameters in addition to corneal thickness, such as biomechanically corrected intraocular pressure formula, may be more reliable and beneficial in this group of patients.
DOI: 10.6084/m9.figshare.21310377
title: NOW, THE WORD OF THE CHILDREN! DISCURSIVE EXCHANGES DURING COLLABORATIVE WRITING ACTIVITIES IN CHILDHOOD EDUCATION

description: ABSTRACT: Literature points out that young children can construct a meaningful interaction with written texts and are interested to produce them (Mayrink-Sabinson, 1998; Rego, 1988; Souza, 2003). However, few studies investigate how children partake in situations in which texts are collaboratively produced, having the teacher as a transcriber. In this context, the present research analyzed the discursive exchanges between children aged 5 and 6 and their teachers, during group writing activities in two classes in the last year of kindergarten in two public schools. Based on a sociodiscursive approach to written language (Bronckart, 1999; Schneuwly, 2004), text production activities led by the teachers, were video-recorded, transcribed, and analyzed qualitatively. Data showed children’s active participation in producing different discursive genres, sharing in this process, knowledge, and reflections on different dimensions involved in textual production (i.e. genres characteristics, socio-interactive aspects, creation of textual content, the graphic signs used for writing, and the revision of writing). Teacher mediation, in a dialogical perspective and with interventions that drew children's attention to such dimensions, proved to be a key element in enhancing children's engagement in the activity and in promoting a co-authoring experience in the writing of texts. We concluded that discursive exchanges, mediated by teachers during group writing activities, can stimulate significant learning situations shared among children.
DOI: 10.6084/m9.figshare.21310377.v1
title: NOW, THE WORD OF THE CHILDREN! DISCURSIVE EXCHANGES DURING COLLABORATIVE WRITING ACTIVITIES IN CHILDHOOD EDUCATION

description: ABSTRACT: Literature points out that young children can construct a meaningful interaction with written texts and are interested to produce them (Mayrink-Sabinson, 1998; Rego, 1988; Souza, 2003). However, few studies investigate how children partake in situations in which texts are collaboratively produced, having the teacher as a transcriber. In this context, the present research analyzed the discursive exchanges between children aged 5 and 6 and their teachers, during group writing activities in two classes in the last year of kindergarten in two public schools. Based on a sociodiscursive approach to written language (Bronckart, 1999; Schneuwly, 2004), text production activities led by the teachers, were video-recorded, transcribed, and analyzed qualitatively. Data showed children’s active participation in producing different discursive genres, sharing in this process, knowledge, and reflections on different dimensions involved in textual production (i.e. genres characteristics, socio-interactive aspects, creation of textual content, the graphic signs used for writing, and the revision of writing). Teacher mediation, in a dialogical perspective and with interventions that drew children's attention to such dimensions, proved to be a key element in enhancing children's engagement in the activity and in promoting a co-authoring experience in the writing of texts. We concluded that discursive exchanges, mediated by teachers during group writing activities, can stimulate significant learning situations shared among children.
DOI: 10.6084/m9.figshare.21213215
title: Metal-Supported Niobium Catalysts Investigation for Conversion of Bio-Renewable Glycerol to Organic Compounds

description: The glycerol oxidative dehydration to organic compounds, especially acrolein and acrylic acid, was studied over vanadium, molybdenum, and cobalt oxides supported on niobium oxide and niobium phosphate catalysts. At 300 °C, the glycerol conversion was 100% over all catalysts tested, and acrolein was the main product observed, without significant deactivation within the time on stream studied. Except for Co/V/Nb2O5, acrylic acid was formed over all catalysts, but the selectivity was not higher than 10%. Acetaldehyde and acetic acid were the other organic oxygenated products formed. Although the catalysts supported over Nb2O5 presented significantly lower acidity than the catalysts supported over NbOPO4, they showed 100% glycerol conversion, indicating that the dehydration of glycerol does not require strong acidity. These data indicate the potential of niobium-based supports in the development of an active and selective catalyst for the glycerol oxidehydration to acrolein and acrylic acid, chemicals of great importance in the industry.