cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.12171261
title: Feeding habits of the cockfish, Callorhinchus callorynchus (Holocephali: Callorhinchidae) from off northern Argentina

description: ABSTRACT The feeding habits of Callorhinchus callorynchus were investigated in coastal waters off northern Argentina. The effect of body size, seasons and regions was evaluated on female diet composition using a multiple-hypothesis modelling approach. Callorhinchus callorynchus fed mainly on bivalves (55.61% PSIRI), followed by brachyuran crabs (10.62% PSIRI) and isopods (10.13% PSIRI). Callorhinchus callorynchus females showed changes in the diet composition with increasing body size and also between seasons and regions. Further, this species is able to consume larger bivalves as it grows. Trophic level was 3.15, characterizing it as a secondary consumer. We conclude that C. callorynchus showed a behavior of crushing hard prey, mainly on bivalves, brachyuran, gastropods and anomuran crabs. Females of this species shift their diet with increasing body size and in response to seasonal and regional changes in prey abundance or distribution.
DOI: 10.6084/m9.figshare.14268666
title: Impact of network topology on the spread of infectious diseases

description: ABSTRACT The complex network theory constitutes a natural support for the study of a disease propagation. In this work, we present a study of an infectious disease spread with the use of this theory in combination with the Individual Based Model. More specifically, we use several complex network models widely known in the literature to verify their topological effects in the propagation of the disease. In general, complex networks with different properties result in curves of infected individuals with different behaviors, and thus, the growth of a given disease is highly sensitive to the network model used. The disease eradication is observed when the vaccination strategy of 10% of the population is used in combination with the random, small world or modular network models, which opens an important space for control actions that focus on changing the topology of a complex network as a form of reduction or even elimination of an infectious disease.
DOI: 10.6084/m9.figshare.14268663
title: Crystal Structure and 1H NMR Experimental and Theoretical Study of Conformers of 5-Methyl-1-(4’-methylphenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl Ester and 5-Methyl-1-(phenylsulfonylamino)-1H-[1,2,3]-triazole-4-carboxylic Acid Ethyl Ester

description: We reported experimental and theoretical investigation of conformers of 1,2,3-triazole derivatives, substances of exclusively synthetic origin, subject of extensive studies, because of several biological properties, such as antiviral, antimicrobial and antileishmaniasis. We reported molecular/supramolecular X-ray structures of antiophidian compounds I and II. For I and II there are two crystallographic different molecules in the unit cell (A and B). To explore the causes of the similarities in the compound’s crystal structures, intermolecular interactions were explored using the Hirshfeld surface as the fingerprint plots. In addition, density functional theory (DFT) calculations were carried out at the ωB97x-D/6-31G(d,p)-PCM-CHCl3 level aiming to contribute to the interpretation of the experimental data and complement the experimental findings. Two structures named 2A and 5B were found in good agreement with the respective X-ray solid state ones (A and B). Theoretical 1H nuclear magnetic resonance (NMR) spectra calculated for 5B rotated structure (torsion angles deviation around 40° to 90°) was in fine agreement with experimental results (in CDCl3) indicating that the solution molecular structure is considerably different from optimized equilibrium geometries and solid-state structure. Therefore, care is needed when using X-ray structures or DFT geometries to model interaction of drugs with biological targets since significant conformational changes may take place in solution.
DOI: 10.6084/m9.figshare.14268666.v1
title: Impact of network topology on the spread of infectious diseases

description: ABSTRACT The complex network theory constitutes a natural support for the study of a disease propagation. In this work, we present a study of an infectious disease spread with the use of this theory in combination with the Individual Based Model. More specifically, we use several complex network models widely known in the literature to verify their topological effects in the propagation of the disease. In general, complex networks with different properties result in curves of infected individuals with different behaviors, and thus, the growth of a given disease is highly sensitive to the network model used. The disease eradication is observed when the vaccination strategy of 10% of the population is used in combination with the random, small world or modular network models, which opens an important space for control actions that focus on changing the topology of a complex network as a form of reduction or even elimination of an infectious disease.
DOI: 10.6084/m9.figshare.12171261.v1
title: Feeding habits of the cockfish, Callorhinchus callorynchus (Holocephali: Callorhinchidae) from off northern Argentina

description: ABSTRACT The feeding habits of Callorhinchus callorynchus were investigated in coastal waters off northern Argentina. The effect of body size, seasons and regions was evaluated on female diet composition using a multiple-hypothesis modelling approach. Callorhinchus callorynchus fed mainly on bivalves (55.61% PSIRI), followed by brachyuran crabs (10.62% PSIRI) and isopods (10.13% PSIRI). Callorhinchus callorynchus females showed changes in the diet composition with increasing body size and also between seasons and regions. Further, this species is able to consume larger bivalves as it grows. Trophic level was 3.15, characterizing it as a secondary consumer. We conclude that C. callorynchus showed a behavior of crushing hard prey, mainly on bivalves, brachyuran, gastropods and anomuran crabs. Females of this species shift their diet with increasing body size and in response to seasonal and regional changes in prey abundance or distribution.
DOI: 10.6084/m9.figshare.12171315
title: Zygoparity in Characidae - the first case of internal fertilization in the teleost cohort Otomorpha

description: Abstract Most teleosts are externally fertilizing, with internal fertilization occurring as a relatively rare event. Until now, Euteleosteomorpha is the only teleost cohort known to undergo internal fertilization. In the teleost cohort Otomorpha, it has been recorded the presence of sperm in the ovaries of some species of Characiformes and Siluriformes, but no fertilized eggs have been found so far in the female reproductive tract. It has been presumed that oocytes can be released into the water with associated spermatozoa and only there becomes fertilized, and the term insemination has been used to characterize the strategy adopted by these fish. Here, we present the discovery of the first case of internal fertilization in the teleost cohort Otomorpha, in Compsura heterura (Characiformes: Characidae). In the course of spawning, the eggs form the perivitelline space and the animal and vegetative poles within the ovaries, evidencing oocyte fertilization. The newly spawned eggs then continue to form the animal and vegetative poles and increase the perivitelline space. These eggs are in the zygotic stage. These data indicate that fertilized eggs are only retained for a short period, providing evidence that C. heterura is a zygoparous fish.
DOI: 10.6084/m9.figshare.12171315.v1
title: Zygoparity in Characidae - the first case of internal fertilization in the teleost cohort Otomorpha

description: Abstract Most teleosts are externally fertilizing, with internal fertilization occurring as a relatively rare event. Until now, Euteleosteomorpha is the only teleost cohort known to undergo internal fertilization. In the teleost cohort Otomorpha, it has been recorded the presence of sperm in the ovaries of some species of Characiformes and Siluriformes, but no fertilized eggs have been found so far in the female reproductive tract. It has been presumed that oocytes can be released into the water with associated spermatozoa and only there becomes fertilized, and the term insemination has been used to characterize the strategy adopted by these fish. Here, we present the discovery of the first case of internal fertilization in the teleost cohort Otomorpha, in Compsura heterura (Characiformes: Characidae). In the course of spawning, the eggs form the perivitelline space and the animal and vegetative poles within the ovaries, evidencing oocyte fertilization. The newly spawned eggs then continue to form the animal and vegetative poles and increase the perivitelline space. These eggs are in the zygotic stage. These data indicate that fertilized eggs are only retained for a short period, providing evidence that C. heterura is a zygoparous fish.
DOI: 10.6084/m9.figshare.14268672
title: Construction of Polygonal Color Codes from Hyperbolic Tesselations

description: ABSTRACT This current work propose a technique to generate polygonal color codes in the hyperbolic geometry environment. The color codes were introduced by Bombin and Martin-Delgado in 2007, and the called triangular color codes have a higher degree of interest because they allow the implementation of the Clifford group, but they encode only one qubit. In 2018 Soares e Silva extended the triangular codes to the polygonal codes, which encode more qubits. Using an approach through hyperbolic tessellations we show that it is possible to generate Hyperbolic Polygonal codes, which encode more than one qubit with the capacity to implement the entire Clifford group and also having a better coding rate than the previously mentioned codes, for the color codes on surfaces with boundary with minimum distance d = 3.
DOI: 10.6084/m9.figshare.14268672.v1
title: Construction of Polygonal Color Codes from Hyperbolic Tesselations

description: ABSTRACT This current work propose a technique to generate polygonal color codes in the hyperbolic geometry environment. The color codes were introduced by Bombin and Martin-Delgado in 2007, and the called triangular color codes have a higher degree of interest because they allow the implementation of the Clifford group, but they encode only one qubit. In 2018 Soares e Silva extended the triangular codes to the polygonal codes, which encode more qubits. Using an approach through hyperbolic tessellations we show that it is possible to generate Hyperbolic Polygonal codes, which encode more than one qubit with the capacity to implement the entire Clifford group and also having a better coding rate than the previously mentioned codes, for the color codes on surfaces with boundary with minimum distance d = 3.
DOI: 10.6084/m9.figshare.14268673
title: Mean Platelet Volume-to-Platelet Count Ratio, Mean Platelet Volume-to-Lymphocyte Ratio, and Red Blood Cell Distribution Width-Platelet Count Ratio as Markers of Inflammation in Patients with Ascending Thoracic Aortic Aneurysm

description: Abstract Objective: Ascending thoracic aortic aneurysm (ATAA), seen in adults, is an important cause of morbidity and mortality. In this study, we aimed to evaluate the levels of mean platelet volume (MPV), mean platelet volume-to-platelet count ratio (MPVPCR), mean platelet volume-to-lymphocyte ratio (MPVLR), and red cell distribution width platelet count ratio (RDWPCR) in patients with thoracic aortic aneurysm. Methods: 105 patients admitted to the emergency department were diagnosed with thoracic aortic aneurysm between January and December 2014, and 100 healthy individuals were involved in this retrospective study. MPV, MPVLR, MPVPCR and RDWPCRs were calculated at the time of admission. Results: Platelet and lymphocyte levels were found to be significantly lower in the patient group when compared to the healthy group (P&lt;0.001, P&lt;0.001, respectively), while MPV, MPVPCR, MPVLR and RDWPCR were found to be significantly higher (P&lt;0.001, P&lt;0.001, P&lt;0.001, and P=0.013, respectively). In the patient group, the high-sensitivity C-reactive protein was significantly higher (P&lt;0.001), and the neutrophil (P=0.062) was also higher. In ROC analysis, MPVPCR had the highest sensitivity (80%) and RDWPCR had the highest specificity (72%). Conclusion: The results for MPV, MPVPCR, MPVLR and RDWPCR can be evaluated as useful parameters in the emergency clinical approach in the evaluation of inflammatory activity in ATAA patients. More extensive studies are required to address the role of these parameters in determining the severity of the disease.
DOI: 10.6084/m9.figshare.14268673.v1
title: Mean Platelet Volume-to-Platelet Count Ratio, Mean Platelet Volume-to-Lymphocyte Ratio, and Red Blood Cell Distribution Width-Platelet Count Ratio as Markers of Inflammation in Patients with Ascending Thoracic Aortic Aneurysm

description: Abstract Objective: Ascending thoracic aortic aneurysm (ATAA), seen in adults, is an important cause of morbidity and mortality. In this study, we aimed to evaluate the levels of mean platelet volume (MPV), mean platelet volume-to-platelet count ratio (MPVPCR), mean platelet volume-to-lymphocyte ratio (MPVLR), and red cell distribution width platelet count ratio (RDWPCR) in patients with thoracic aortic aneurysm. Methods: 105 patients admitted to the emergency department were diagnosed with thoracic aortic aneurysm between January and December 2014, and 100 healthy individuals were involved in this retrospective study. MPV, MPVLR, MPVPCR and RDWPCRs were calculated at the time of admission. Results: Platelet and lymphocyte levels were found to be significantly lower in the patient group when compared to the healthy group (P&lt;0.001, P&lt;0.001, respectively), while MPV, MPVPCR, MPVLR and RDWPCR were found to be significantly higher (P&lt;0.001, P&lt;0.001, P&lt;0.001, and P=0.013, respectively). In the patient group, the high-sensitivity C-reactive protein was significantly higher (P&lt;0.001), and the neutrophil (P=0.062) was also higher. In ROC analysis, MPVPCR had the highest sensitivity (80%) and RDWPCR had the highest specificity (72%). Conclusion: The results for MPV, MPVPCR, MPVLR and RDWPCR can be evaluated as useful parameters in the emergency clinical approach in the evaluation of inflammatory activity in ATAA patients. More extensive studies are required to address the role of these parameters in determining the severity of the disease.
DOI: 10.6084/m9.figshare.14268669.v1
title: Avaliação de Diferentes Abordagens na Solução do Problema de Equilíbrio Sólido-Líquido em Óleos Parafínicos

description: ABSTRACT In this paper, the computational efficiency in the solid-liquid equilibrium (SLE) problem for paraffinic oils was examined. Several different thermodynamic models were evaluated for liquid phase: the Peng-Robinson equation of state (PR-EOS), and the activity coefficient models for ideal solution, the predictive Wilson model, the predictive Universal Quasi-chemical (UNIQUAC) model, and UNIQUAC Functional-group Activity Coefficient (UNIFAC) model. The solid phase is characterized by the multisolid model and the prediction of solid phase formation is initially estimated by a thermodynamic stability test. Afterwards, the systems of non-linear equations (SNLE) formed by the thermodynamic equilibrium and the material balance equations was solved using Newton-Raphson method (multivariate). As far as we can see, there are no systematic studies addressing the effect of the model (and its complexity) on the computational effort of the algorithm. On the other hand, considering the high number of different components in the oil fractions studied, the robustness (due to different initial estimates), and the computational time are important aspects and were analyzed in this work.
DOI: 10.6084/m9.figshare.14268669
title: Avaliação de Diferentes Abordagens na Solução do Problema de Equilíbrio Sólido-Líquido em Óleos Parafínicos

description: ABSTRACT In this paper, the computational efficiency in the solid-liquid equilibrium (SLE) problem for paraffinic oils was examined. Several different thermodynamic models were evaluated for liquid phase: the Peng-Robinson equation of state (PR-EOS), and the activity coefficient models for ideal solution, the predictive Wilson model, the predictive Universal Quasi-chemical (UNIQUAC) model, and UNIQUAC Functional-group Activity Coefficient (UNIFAC) model. The solid phase is characterized by the multisolid model and the prediction of solid phase formation is initially estimated by a thermodynamic stability test. Afterwards, the systems of non-linear equations (SNLE) formed by the thermodynamic equilibrium and the material balance equations was solved using Newton-Raphson method (multivariate). As far as we can see, there are no systematic studies addressing the effect of the model (and its complexity) on the computational effort of the algorithm. On the other hand, considering the high number of different components in the oil fractions studied, the robustness (due to different initial estimates), and the computational time are important aspects and were analyzed in this work.
DOI: 10.6084/m9.figshare.14268675
title: Easy Epoxidation of Monoterpenes from Common Starting Materials

description: Epoxidation of monoterpenes, α-pinene, β-pinene, limonene, α-terpinene, and (R)-carvone was carried out by the in situ production of a peroxyacid rather than direct addition of such an expensive and difficult to handle chemical. Previous reports showed use of metal catalysts with high yields, while methodologies without catalysts at high temperature showed yields lower than 30%. The authors report a methodology that produces peroxyacetic acid in situ yielding up to 75% pure epoxide at room temperature avoiding the use of catalysts. The products were analyzed by gas chromatography mass spectrometry (GC-MS), and structures were characterized by 1H and 13C nuclear magnetic resonance (NMR).
DOI: 10.6084/m9.figshare.14268675.v1
title: Easy Epoxidation of Monoterpenes from Common Starting Materials

description: Epoxidation of monoterpenes, α-pinene, β-pinene, limonene, α-terpinene, and (R)-carvone was carried out by the in situ production of a peroxyacid rather than direct addition of such an expensive and difficult to handle chemical. Previous reports showed use of metal catalysts with high yields, while methodologies without catalysts at high temperature showed yields lower than 30%. The authors report a methodology that produces peroxyacetic acid in situ yielding up to 75% pure epoxide at room temperature avoiding the use of catalysts. The products were analyzed by gas chromatography mass spectrometry (GC-MS), and structures were characterized by 1H and 13C nuclear magnetic resonance (NMR).
DOI: 10.6084/m9.figshare.12171267
title: Three new species of the Eigenmannia trilineata species group (Gymnotiformes: Sternopygidae) from northwestern South America

description: ABSTRACT Eigenmannia is one of the more taxonomically complex genera within the Gymnotiformes. Here we adopt an integrative taxonomic approach, combining osteology, COI gene sequences, and geometric morphometrics to describe three new species belonging to the E. trilineata species group from Colombian trans-Andean region. These new species increase the number of species in the E. trilineata complex to 18 and the number of species in the genus to 25. The distribution range of the E. trilineata species group is expanded to include parts of northwestern South America and southern Central America.
DOI: 10.6084/m9.figshare.12171267.v1
title: Three new species of the Eigenmannia trilineata species group (Gymnotiformes: Sternopygidae) from northwestern South America

description: ABSTRACT Eigenmannia is one of the more taxonomically complex genera within the Gymnotiformes. Here we adopt an integrative taxonomic approach, combining osteology, COI gene sequences, and geometric morphometrics to describe three new species belonging to the E. trilineata species group from Colombian trans-Andean region. These new species increase the number of species in the E. trilineata complex to 18 and the number of species in the genus to 25. The distribution range of the E. trilineata species group is expanded to include parts of northwestern South America and southern Central America.
DOI: 10.6084/m9.figshare.14268677
title: Methodology Development and Validation of Amphotericin B Stability by HPLC-DAD

description: The high worldwide consumption of antibiotics and their complex impurity profiles has drawn the attention of the scientific community to the development and validation of stability methods for these drugs. Amphotericin B is an antibiotic that is a natural fermentation product of bacterium Streptomyces nodosus, used as a broad-spectrum antifungal agent, and is highly unstable. For this reason, the objective of this work is the development and validation of an indicative method of stability by high performance liquid chromatography (HPLC) associated to diode array detector (DAD) for amphotericin B (AMB). To achieve this, the chromatographic profiles of acid, basic, oxidative and thermal degradation caused by AMB exposure to water and light were verified by HPLC-DAD, using an isocratic method under the following conditions: C18 chromatographic column (200 × 4.6 mm-5 µm), mobile phase composed of 65:35 of organic phase (methanol/acetonitrile in 41:18)/aqueous phase (2.5 mmol L-1 of disodium edetate, pH 5.0), flow rate of 1.0 mL min-1, injection volume of 20 µL, column temperature 30 ± 2 °C and wavelength of 383 nm. After identification of these profiles, the method was validated according to recommendations of the International Conference on Harmonization guidelines, and then, the active pharmaceutical ingredient (API) peak purity grade, percentage of drug degradation, occurrence of impurities peak and its identification by mass spectrometry (MS) with electrospray ionization (ESI), under positive ionization mode, were evaluated. It is suggested that the main degradation products were amphotericin B (2), degradation product 1 (DP1) and degradation product 2 (DP2) in acid and oxidative medium. Amphotericin B was stable in the presence of water and at 70 ± 2 °C for seven days.
DOI: 10.6084/m9.figshare.14268677.v1
title: Methodology Development and Validation of Amphotericin B Stability by HPLC-DAD

description: The high worldwide consumption of antibiotics and their complex impurity profiles has drawn the attention of the scientific community to the development and validation of stability methods for these drugs. Amphotericin B is an antibiotic that is a natural fermentation product of bacterium Streptomyces nodosus, used as a broad-spectrum antifungal agent, and is highly unstable. For this reason, the objective of this work is the development and validation of an indicative method of stability by high performance liquid chromatography (HPLC) associated to diode array detector (DAD) for amphotericin B (AMB). To achieve this, the chromatographic profiles of acid, basic, oxidative and thermal degradation caused by AMB exposure to water and light were verified by HPLC-DAD, using an isocratic method under the following conditions: C18 chromatographic column (200 × 4.6 mm-5 µm), mobile phase composed of 65:35 of organic phase (methanol/acetonitrile in 41:18)/aqueous phase (2.5 mmol L-1 of disodium edetate, pH 5.0), flow rate of 1.0 mL min-1, injection volume of 20 µL, column temperature 30 ± 2 °C and wavelength of 383 nm. After identification of these profiles, the method was validated according to recommendations of the International Conference on Harmonization guidelines, and then, the active pharmaceutical ingredient (API) peak purity grade, percentage of drug degradation, occurrence of impurities peak and its identification by mass spectrometry (MS) with electrospray ionization (ESI), under positive ionization mode, were evaluated. It is suggested that the main degradation products were amphotericin B (2), degradation product 1 (DP1) and degradation product 2 (DP2) in acid and oxidative medium. Amphotericin B was stable in the presence of water and at 70 ± 2 °C for seven days.