cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.7974134
title: Facial Selectivity between Carbohydrates and Aromatic Amino Acids Explained by a Combination of NCI, NBO and EDA Techniques with NMR Spectroscopy

description: The influence of electrostatic and dispersion components of intermolecular interactions on the recognition of carbohydrates by aromatic protein residues is important for many biological processes. Interactions between glucose and galactose and aromatic moieties of tryptophan, phenylalanine and histidine were investigated through 1H nuclear magnetic resonance (NMR) chemical shift perturbation and fully explained by molecular modelling at the density functional theory (DFT) level. According to NMR experiments, aromatic amino acids interact preferably with one face of the carbohydrate and the calculations showed how intermolecular interactions were determinant in explaining the selectivity. Non-covalent interaction surfaces revealed that a CH bond oriented toward the center of the aromatic ring maximized the attractive interaction while minimizing the steric repulsion. Energy decomposition analyses showed that the dispersion component was stronger than the electrostatic component and contributes more when hydrogen bonds are not present in the studied complexes. However, it was the electrostatic component that correlated with the facial preference, especially for the complexes with tryptophan.
DOI: 10.6084/m9.figshare.7974131.v1
title: Anatomical traits related to stress in high density populations of Typha angustifolia L. (Typhaceae)

description: Abstract Some macrophytes species show a high growth potential, colonizing large areas on aquatic environments. Cattail (Typha angustifolia L.) uncontrolled growth causes several problems to human activities and local biodiversity, but this also may lead to competition and further problems for this species itself. Thus, the objective of this study was to investigate anatomical modifications on T. angustifolia plants from different population densities, once it can help to understand its biology. Roots and leaves were collected from natural populations growing under high and low densities. These plant materials were fixed and submitted to usual plant microtechnique procedures. Slides were observed and photographed under light microscopy and images were analyzed in the UTHSCSA-Imagetool software. The experimental design was completely randomized with two treatments and ten replicates, data were submitted to one-way ANOVA and Scott-Knott test at p&lt;0.05. Leaves from low density populations showed higher stomatal density and index. These modifications on stomatal characteristics were more evident on the leaf abaxial surface. Plants from low density populations showed thicker mesophyll and higher proportion of aerenchymal area. Roots from low density populations showed a higher proportion of the vascular cylinder. Whereas, plants from higher density populations showed greater thickness of the endodermis, exodermis, phloem and root cortex. Higher density populations showed a higher proportion of aerenchymal gaps in the root cortex. Therefore, cattail plants from populations growing under high density population show anatomical traits typical of plants under stress, which promotes the development of less functional anatomical modifications to aquatic environments.
DOI: 10.6084/m9.figshare.7974134.v1
title: Facial Selectivity between Carbohydrates and Aromatic Amino Acids Explained by a Combination of NCI, NBO and EDA Techniques with NMR Spectroscopy

description: The influence of electrostatic and dispersion components of intermolecular interactions on the recognition of carbohydrates by aromatic protein residues is important for many biological processes. Interactions between glucose and galactose and aromatic moieties of tryptophan, phenylalanine and histidine were investigated through 1H nuclear magnetic resonance (NMR) chemical shift perturbation and fully explained by molecular modelling at the density functional theory (DFT) level. According to NMR experiments, aromatic amino acids interact preferably with one face of the carbohydrate and the calculations showed how intermolecular interactions were determinant in explaining the selectivity. Non-covalent interaction surfaces revealed that a CH bond oriented toward the center of the aromatic ring maximized the attractive interaction while minimizing the steric repulsion. Energy decomposition analyses showed that the dispersion component was stronger than the electrostatic component and contributes more when hydrogen bonds are not present in the studied complexes. However, it was the electrostatic component that correlated with the facial preference, especially for the complexes with tryptophan.
DOI: 10.6084/m9.figshare.7974110
title: Surface sealing and water erosion of soils with mulching in the semi-arid region of Brazil

description: ABSTRACT Evaluating soil sealing process of the semi-arid region of Brazil is important to describe this process and mitigate its effects. The objective of this work was to evaluate surface sealing and physical properties of the main soils of the Upper Ipanema watershed, in Pesqueira, Pernambuco state, Brazil, with the use of mulch. The experiment was conducted in a completely randomized design with three replications, using a 3 × 3 × 2 factorial arrangement consisted of three soil classes (abruptic Eutrophic Yellow Argissolo - AEYA, typical Eutrophic Fluvic Neossolo - TEFN, and typical Eutrophic Yellow Argissolo - TEYA), three application times of simulated rainfalls (at 0, 24, and 48 h), and two mulching conditions (with and without mulch), totaling 54 tests. Soil erosion rates, surface sealing, and resistance to penetration were evaluated. The use of mulch decreased significantly the soil water losses by 71.9% (AEYA), 62.9% (TEFN), and 41.1% (TEYA) after the first rainfall application (0 h) when compared to treatments without mulch, and promoted a higher water infiltration rate. The lowest soil resistance to penetration were found in soils with mulch. The AEYA and TEFN presented changes in porosity and migration of fine particles in the treatment without mulch. The TENF was the only soil that presented an incipient soil surface sealing layer in the treatment without mulch.
DOI: 10.6084/m9.figshare.7974113
title: Fruit maturation stage on the physiological quality of maroon cucumber seeds

description: ABSTRACT To obtain seeds of high physiological quality, it is of paramount importance to define the ideal harvest moment, which oftentimes corresponds to the period when the physiological maturity is reached. This experiment aimed to study the maturation process and determine the best harvest season of maroon cucumber fruits (Liso Gibão cultivar), in order to reach the maximum physiological seed quality. The flowers were labeled during the anthesis and the fruits harvested at 14, 21, 28, 35, 42, 49 and 56 days after the anthesis (DAA). The fruits had their visual aspects registered by photography analysis and, later, the seeds were extracted for physical (water and dry matter contents) and physiological (germination, seedling emergence, emergence speed index, accelerated aging and electrical conductivity) analyses. It was observed that the seeds reach the maximum dry mass (8.08 mg seed-1) between 47 and 49 DAA. However, the seed physiological maturity, characterized by a maximum germination (70 %) and vigor, occurs at 56 DDA. The best season to harvest seeds with a higher physiological quality takes place from 49 to 56 DDA, when the fruits present a yellowish color.
DOI: 10.6084/m9.figshare.7974107
title: Water use of cowpea under deficit irrigation and cultivation systems in semi-arid region

description: ABSTRACT The resilience of crops to drought depends heavily on the cultural practices adopted, which can have a direct effect on water use efficiency. The aim of this study was to assess the influence of irrigation intervals on the growth, water consumption and water use efficiency of cowpea crops (cv. BRS Guariba) under conventional and no-tillage systems. The experiment was carried out in the semi-arid region of Rio Grande do Norte, Brazil, using a split-plot in a randomised complete block design, with four replications. Treatments consisted of two cultivation systems in the whole plots (conventional and no-tillage) and six irrigation intervals in the subplots (2, 6, 10, 14, 18 and 22 days) which were applied at full bloom. The biomass of the different parts of the plant, leaf area and leaf area index were assessed at 64 days after sowing (DAS) and grain yield, water consumption and water use efficiency at 70 DAS. No-tillage is a promising cultivation technique for cowpea crops, promoting higher grain yield and water use efficiency under semi-arid conditions. This system allows cowpea cultivation with irrigation intervals of 10 or 14 days, with no or small reduction in yield, respectively.
DOI: 10.6084/m9.figshare.7974107.v1
title: Water use of cowpea under deficit irrigation and cultivation systems in semi-arid region

description: ABSTRACT The resilience of crops to drought depends heavily on the cultural practices adopted, which can have a direct effect on water use efficiency. The aim of this study was to assess the influence of irrigation intervals on the growth, water consumption and water use efficiency of cowpea crops (cv. BRS Guariba) under conventional and no-tillage systems. The experiment was carried out in the semi-arid region of Rio Grande do Norte, Brazil, using a split-plot in a randomised complete block design, with four replications. Treatments consisted of two cultivation systems in the whole plots (conventional and no-tillage) and six irrigation intervals in the subplots (2, 6, 10, 14, 18 and 22 days) which were applied at full bloom. The biomass of the different parts of the plant, leaf area and leaf area index were assessed at 64 days after sowing (DAS) and grain yield, water consumption and water use efficiency at 70 DAS. No-tillage is a promising cultivation technique for cowpea crops, promoting higher grain yield and water use efficiency under semi-arid conditions. This system allows cowpea cultivation with irrigation intervals of 10 or 14 days, with no or small reduction in yield, respectively.
DOI: 10.6084/m9.figshare.7974110.v1
title: Surface sealing and water erosion of soils with mulching in the semi-arid region of Brazil

description: ABSTRACT Evaluating soil sealing process of the semi-arid region of Brazil is important to describe this process and mitigate its effects. The objective of this work was to evaluate surface sealing and physical properties of the main soils of the Upper Ipanema watershed, in Pesqueira, Pernambuco state, Brazil, with the use of mulch. The experiment was conducted in a completely randomized design with three replications, using a 3 × 3 × 2 factorial arrangement consisted of three soil classes (abruptic Eutrophic Yellow Argissolo - AEYA, typical Eutrophic Fluvic Neossolo - TEFN, and typical Eutrophic Yellow Argissolo - TEYA), three application times of simulated rainfalls (at 0, 24, and 48 h), and two mulching conditions (with and without mulch), totaling 54 tests. Soil erosion rates, surface sealing, and resistance to penetration were evaluated. The use of mulch decreased significantly the soil water losses by 71.9% (AEYA), 62.9% (TEFN), and 41.1% (TEYA) after the first rainfall application (0 h) when compared to treatments without mulch, and promoted a higher water infiltration rate. The lowest soil resistance to penetration were found in soils with mulch. The AEYA and TEFN presented changes in porosity and migration of fine particles in the treatment without mulch. The TENF was the only soil that presented an incipient soil surface sealing layer in the treatment without mulch.
DOI: 10.6084/m9.figshare.7974113.v1
title: Fruit maturation stage on the physiological quality of maroon cucumber seeds

description: ABSTRACT To obtain seeds of high physiological quality, it is of paramount importance to define the ideal harvest moment, which oftentimes corresponds to the period when the physiological maturity is reached. This experiment aimed to study the maturation process and determine the best harvest season of maroon cucumber fruits (Liso Gibão cultivar), in order to reach the maximum physiological seed quality. The flowers were labeled during the anthesis and the fruits harvested at 14, 21, 28, 35, 42, 49 and 56 days after the anthesis (DAA). The fruits had their visual aspects registered by photography analysis and, later, the seeds were extracted for physical (water and dry matter contents) and physiological (germination, seedling emergence, emergence speed index, accelerated aging and electrical conductivity) analyses. It was observed that the seeds reach the maximum dry mass (8.08 mg seed-1) between 47 and 49 DAA. However, the seed physiological maturity, characterized by a maximum germination (70 %) and vigor, occurs at 56 DDA. The best season to harvest seeds with a higher physiological quality takes place from 49 to 56 DDA, when the fruits present a yellowish color.
DOI: 10.6084/m9.figshare.7974104
title: Oxidative Dehydration of Glycerol over Molybdenum- and Vanadium-Based Catalysts

description: Surplus of glycerol production from the biodiesel industry has led to the search for glycerol conversion routes, the most common of which are dehydration and oxidative dehydration. Vanadium and molybdenum oxides were supported on γ-Al2O3 and their properties were analyzed through several characterization techniques, showing that the acidity increases after addition of oxides and that in the catalyst with vanadium and molybdenum there is decrease in the band referring to V5+, responsible for sequential oxidation to CO2. The effect of the metal oxides on catalytic activity and stability during oxidative dehydration of glycerol to acrolein was investigated and correlated with chemical composition, acidity, and textural properties. Moreover, the global reaction, turnover frequency (TOF), and activation energy were determined. Catalyst performance and stability were found to depend on acidity and the supported metal with larger residence times (W/F) favored acrolein formation over COx. In addition, metal oxides decreased catalyst deactivation via coke oxidation.
DOI: 10.6084/m9.figshare.7974095
title: Graphene Oxides Coated Paper as a Substrate to Paper Spray Ionization Mass Spectrometry for Creatinine Determination in Urine Samples

description: Paper spray ionization (PSI) is a promising analytical tool for direct analysis in mass spectrometry (MS). However, this technique usually uses chromatographic paper, which rarely accomplishes a stable MS signal and could vary with the sample matrix effect. In the present study, the application of graphene oxides (GO) was scrutinized as modifier paper substrate for PSI-MS methods. The developed substrate efficiency was evaluated towards creatinine determination in urine samples. The GO-PSI-MS developed method for creatinine in urine samples showed linearity in the range of 0.1 to 3.4 ppm with R2 = 0.9991. The precision was evaluated and the values were between 1.1 to 6.8% and the accuracy above 96.8%. The limit of quantification (LOQ) and limit of detection (LOD) were 0.05 and 0.17 ppm, respectively. The GO-PSI developed was compared to conventional chromatographic paper for PSI-MS methods, and the results showed that the modified paper with GO bolsters method linearity, precision, and LOQ values.
DOI: 10.6084/m9.figshare.7974104.v1
title: Oxidative Dehydration of Glycerol over Molybdenum- and Vanadium-Based Catalysts

description: Surplus of glycerol production from the biodiesel industry has led to the search for glycerol conversion routes, the most common of which are dehydration and oxidative dehydration. Vanadium and molybdenum oxides were supported on γ-Al2O3 and their properties were analyzed through several characterization techniques, showing that the acidity increases after addition of oxides and that in the catalyst with vanadium and molybdenum there is decrease in the band referring to V5+, responsible for sequential oxidation to CO2. The effect of the metal oxides on catalytic activity and stability during oxidative dehydration of glycerol to acrolein was investigated and correlated with chemical composition, acidity, and textural properties. Moreover, the global reaction, turnover frequency (TOF), and activation energy were determined. Catalyst performance and stability were found to depend on acidity and the supported metal with larger residence times (W/F) favored acrolein formation over COx. In addition, metal oxides decreased catalyst deactivation via coke oxidation.
DOI: 10.6084/m9.figshare.7974089
title: Xiphidiocercariae from naturally infected Lymnaea columella (Mollusca, Gastropoda) in urban area: morphology and ultrastructure of the larvae and histological changes in the mollusc host

description: Abstract Urban agriculture is very common in the cities, as Rio de Janeiro and adjacencies, being important as economic activity. However, this practice can create appropriate conditions for establishment and maintenance of life cycle of many parasites. Lymneid snails can act as intermediate hosts of many trematodes species, including those that infect humans and wild and domestic. In the present study, the snail Lymnaea columella was collected from an urban watercress plantations and the morphology of cercariae released by them was analyzed by light and scanning electron microscopy. The specimens were identified as xiphidiocercariae, belonging to the Cercariae Ornatae group, of the order Plagiorchiiformes. Histological examination of the digestive gland of the infected snails revealed the presence of developing sporocysts, with hemocitary infiltration and metaplasia in the epithelial tissue.
DOI: 10.6084/m9.figshare.7974095.v1
title: Graphene Oxides Coated Paper as a Substrate to Paper Spray Ionization Mass Spectrometry for Creatinine Determination in Urine Samples

description: Paper spray ionization (PSI) is a promising analytical tool for direct analysis in mass spectrometry (MS). However, this technique usually uses chromatographic paper, which rarely accomplishes a stable MS signal and could vary with the sample matrix effect. In the present study, the application of graphene oxides (GO) was scrutinized as modifier paper substrate for PSI-MS methods. The developed substrate efficiency was evaluated towards creatinine determination in urine samples. The GO-PSI-MS developed method for creatinine in urine samples showed linearity in the range of 0.1 to 3.4 ppm with R2 = 0.9991. The precision was evaluated and the values were between 1.1 to 6.8% and the accuracy above 96.8%. The limit of quantification (LOQ) and limit of detection (LOD) were 0.05 and 0.17 ppm, respectively. The GO-PSI developed was compared to conventional chromatographic paper for PSI-MS methods, and the results showed that the modified paper with GO bolsters method linearity, precision, and LOQ values.
DOI: 10.6084/m9.figshare.7974077
title: Evaluation of cytotoxicity and wound healing activity of Avicennia schaueriana in cream

description: Abstract:Avicennia schaueriana is found in Brazilian mangrove coast. The cytotoxicity in vitro of the Aqueous Extract of Leaves of Avicennia schaueriana (AELAs) and the healing activity of the plant in cream on mice skin wounds were evaluated in this study. The cytotoxic evaluation was performed on Vero cells. The healing activity was evaluated on mice treated during 5, 10 and 15 days with cream at 5%, solution of sodium chloride at 0.9% and dexpanthenol in cream at 5%. The extract did not show cytotoxicity, but showed mitogenic activity (100μg/ml). In morphometric analysis, the percentage of wound contraction after 10 days was higher in dexpanthenol group (93.41%). In 15 days, the lowest percentage of contraction was observed in the dexpanthenol group (94.41%) and the highest in the AELAs cream group (98.50%). In histomorphometry the dexpanthenol showed the lowest length of re-epithelialization in 10 days. In 15 days, the AELAs cream group showed 100% of re-epithelialization. The number of fibroblasts found in AELAs cream group was higher than the saline solution in 10 days. In 15 days, AELAs cream group maintained a higher amount of fibroblasts when compared to the others. A. schaueriana did not show cytotoxicity. Furthermore, topical application of AELAs cream decreased the wound area, stimulated the re-epithelialization and increased the number of fibroblasts. The species A. schaueriana could become a topical treatment in tissue repair process.
DOI: 10.6084/m9.figshare.7974089.v1
title: Xiphidiocercariae from naturally infected Lymnaea columella (Mollusca, Gastropoda) in urban area: morphology and ultrastructure of the larvae and histological changes in the mollusc host

description: Abstract Urban agriculture is very common in the cities, as Rio de Janeiro and adjacencies, being important as economic activity. However, this practice can create appropriate conditions for establishment and maintenance of life cycle of many parasites. Lymneid snails can act as intermediate hosts of many trematodes species, including those that infect humans and wild and domestic. In the present study, the snail Lymnaea columella was collected from an urban watercress plantations and the morphology of cercariae released by them was analyzed by light and scanning electron microscopy. The specimens were identified as xiphidiocercariae, belonging to the Cercariae Ornatae group, of the order Plagiorchiiformes. Histological examination of the digestive gland of the infected snails revealed the presence of developing sporocysts, with hemocitary infiltration and metaplasia in the epithelial tissue.
DOI: 10.6084/m9.figshare.7974077.v1
title: Evaluation of cytotoxicity and wound healing activity of Avicennia schaueriana in cream

description: Abstract:Avicennia schaueriana is found in Brazilian mangrove coast. The cytotoxicity in vitro of the Aqueous Extract of Leaves of Avicennia schaueriana (AELAs) and the healing activity of the plant in cream on mice skin wounds were evaluated in this study. The cytotoxic evaluation was performed on Vero cells. The healing activity was evaluated on mice treated during 5, 10 and 15 days with cream at 5%, solution of sodium chloride at 0.9% and dexpanthenol in cream at 5%. The extract did not show cytotoxicity, but showed mitogenic activity (100μg/ml). In morphometric analysis, the percentage of wound contraction after 10 days was higher in dexpanthenol group (93.41%). In 15 days, the lowest percentage of contraction was observed in the dexpanthenol group (94.41%) and the highest in the AELAs cream group (98.50%). In histomorphometry the dexpanthenol showed the lowest length of re-epithelialization in 10 days. In 15 days, the AELAs cream group showed 100% of re-epithelialization. The number of fibroblasts found in AELAs cream group was higher than the saline solution in 10 days. In 15 days, AELAs cream group maintained a higher amount of fibroblasts when compared to the others. A. schaueriana did not show cytotoxicity. Furthermore, topical application of AELAs cream decreased the wound area, stimulated the re-epithelialization and increased the number of fibroblasts. The species A. schaueriana could become a topical treatment in tissue repair process.