cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.5666857
title: Allergenic Fragrances Analysis in Brazilian Perfumes by Headspace Solid Phase Microextraction and Gas Chromatography-Mass Detector (HS-SPME-GC-MS)

description: Perfumes are products mainly consisting of ethyl alcohol, water and fragrance. These fragrances are responsible for characterizing the pleasant and unique odor of each perfume. Among the fragrances, we highlight a group of fragrances which can cause contact allergy, leading to dermatitis. Brazilian and the European law state that when these concentrations of allergenic fragrances exceed the limit of 0.01% for non-rinse products and 0.001% for products with rinsing, the manufacturer is obliged to discriminate on its label their presence. This work aims to quantify allergic fragrances in original and Brazilian perfume using solid-phase microextraction and analyze by gas chromatography-mass detector.
DOI: 10.6084/m9.figshare.5666857.v1
title: Allergenic Fragrances Analysis in Brazilian Perfumes by Headspace Solid Phase Microextraction and Gas Chromatography-Mass Detector (HS-SPME-GC-MS)

description: Perfumes are products mainly consisting of ethyl alcohol, water and fragrance. These fragrances are responsible for characterizing the pleasant and unique odor of each perfume. Among the fragrances, we highlight a group of fragrances which can cause contact allergy, leading to dermatitis. Brazilian and the European law state that when these concentrations of allergenic fragrances exceed the limit of 0.01% for non-rinse products and 0.001% for products with rinsing, the manufacturer is obliged to discriminate on its label their presence. This work aims to quantify allergic fragrances in original and Brazilian perfume using solid-phase microextraction and analyze by gas chromatography-mass detector.
DOI: 10.6084/m9.figshare.5666854
title: Comparing the egg ultrastructure of three Psorophora ferox (Diptera: Culicidae) populations

description: Abstract Characterising the external morphology of mosquito eggs is important, since it facilitates the identification of material from breeding sites and contributes to the understanding of species biology and group systematics. Therefore, was to compare eggs from different Psorophora ferox populations using scanning electron microscopy (SEM). Eggs were obtained from adult female of Ps. ferox collected in the Poços das Antas Biological Reserve (Reserva Biológica de Poços das Antas, Rio de Janeiro, Brazil). From each female, one portion of eggs (n = 5) was reared for identification purposes, and the second portion (n = 10) was examined using SEM for morphometric analysis. The egg morphology was then compared to that of eggs from Ps. ferox populations in Florida (USA) and Arena (Trinidad). The exochorion ornamentation of the populations differs considerably in the morphology of the tubercles of the chorionic cells, external chorionic reticulum, micropylar collar, and micropyle.
DOI: 10.6084/m9.figshare.5666854.v1
title: Comparing the egg ultrastructure of three Psorophora ferox (Diptera: Culicidae) populations

description: Abstract Characterising the external morphology of mosquito eggs is important, since it facilitates the identification of material from breeding sites and contributes to the understanding of species biology and group systematics. Therefore, was to compare eggs from different Psorophora ferox populations using scanning electron microscopy (SEM). Eggs were obtained from adult female of Ps. ferox collected in the Poços das Antas Biological Reserve (Reserva Biológica de Poços das Antas, Rio de Janeiro, Brazil). From each female, one portion of eggs (n = 5) was reared for identification purposes, and the second portion (n = 10) was examined using SEM for morphometric analysis. The egg morphology was then compared to that of eggs from Ps. ferox populations in Florida (USA) and Arena (Trinidad). The exochorion ornamentation of the populations differs considerably in the morphology of the tubercles of the chorionic cells, external chorionic reticulum, micropylar collar, and micropyle.
DOI: 10.6084/m9.figshare.5666851
title: Conformational Analysis, Experimental and GIAO-DFT 13C NMR Chemical Shift Calculation on 2’-Hydroxy-3,4,5-trimethoxy-chalcone

description: In this paper we investigated the ability of the GIAO-mPW1PW91/6-31G(d)//mPW1PW91/6-31G(d) level of theory to predict the 13C nuclear magnetic resonance (NMR) chemical shifts of the 2’-hydroxy-3,4,5-trimethoxy-chalcone molecule. Two different approaches were used. First: the absolute shieldings σ for all carbon atoms in each geometrically optimized conformers of the 2’-hydroxy-3,4,5-trimethoxy-chalcone molecule were calculated at the GIAO-mPW1PW91/6-31G(d)//mPW1PW91/6-31G(d) level of theory. This approach is further used to generate weighted average values for each atom considering the previously obtained conformational distribution. Second: only the σ for the lowest energetic conformer will be taken to account. The robustness of the method was evaluated for two other chalcones: (E)-1-(4-hydroxy-3-methoxyphenyl)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-en-1-one and (E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one, corroborating the ability of the method in chemical shift prevision. Although, both approaches were able to reproduce the chemical shifts of the 2’-hydroxy-3,4,5-trimethoxy-chalcone, significant differences in the calculated values for C-4 and methoxy carbons were observed. The best results were obtained using the second approach (II).
DOI: 10.6084/m9.figshare.5666851.v1
title: Conformational Analysis, Experimental and GIAO-DFT 13C NMR Chemical Shift Calculation on 2’-Hydroxy-3,4,5-trimethoxy-chalcone

description: In this paper we investigated the ability of the GIAO-mPW1PW91/6-31G(d)//mPW1PW91/6-31G(d) level of theory to predict the 13C nuclear magnetic resonance (NMR) chemical shifts of the 2’-hydroxy-3,4,5-trimethoxy-chalcone molecule. Two different approaches were used. First: the absolute shieldings σ for all carbon atoms in each geometrically optimized conformers of the 2’-hydroxy-3,4,5-trimethoxy-chalcone molecule were calculated at the GIAO-mPW1PW91/6-31G(d)//mPW1PW91/6-31G(d) level of theory. This approach is further used to generate weighted average values for each atom considering the previously obtained conformational distribution. Second: only the σ for the lowest energetic conformer will be taken to account. The robustness of the method was evaluated for two other chalcones: (E)-1-(4-hydroxy-3-methoxyphenyl)-3-(3,5-di-tert-butyl-4-hydroxyphenyl)prop-2-en-1-one and (E)-1-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one, corroborating the ability of the method in chemical shift prevision. Although, both approaches were able to reproduce the chemical shifts of the 2’-hydroxy-3,4,5-trimethoxy-chalcone, significant differences in the calculated values for C-4 and methoxy carbons were observed. The best results were obtained using the second approach (II).
DOI: 10.6084/m9.figshare.5666848
title: Short Mood and Feelings Questionnaire for screening children and adolescents for plastic surgery: cross-cultural validation study

description: ABSTRACT CONTEXT AND OBJECTIVE: Patient-reported outcome measurements assessing the emotional state of children and adolescents who seek plastic surgery are important for determining whether the intervention is indicated or not. The aim of this study was to cross-culturally adapt and validate the Short Mood and Feelings Questionnaire (child/adolescent and parent versions) for Brazilian Portuguese, test its psychometric properties and assess the emotional state of children and adolescents who seek plastic surgery. DESIGN AND SETTING: Cross-cultural validation study conducted in a plastic surgery outpatient clinic at a public university hospital. METHODS: A total of 124 consecutive patients of both sexes were selected between September 2013 and February 2014. Forty-seven patients participated in the cultural adaptation of the questionnaire. The final version was tested for reliability on 20 patients. Construct validity was tested on 57 patients by correlating the Short Mood and Feelings Questionnaire (child/adolescent and parent versions) with the Strengths and Difficulties Questionnaire and the Rosenberg Self-Esteem scale. RESULTS: The child/adolescent and parent versions of the Short Mood and Feelings Questionnaire showed Cronbach’s alpha of 0.768 and 0.874, respectively, and had good inter-rater reliability (intraclass correlation coefficient, ICC = 0.757 and ICC = 0.853, respectively) and intra-rater reliability (ICC = 0.738 and ICC = 0.796, respectively). CONCLUSIONS: The Brazilian-Portuguese version of the Short Mood and Feelings Questionnaire is a reproducible instrument with face, content and construct validity.The mood state and feelings among children and adolescents seeking cosmetic surgery were healthy.
DOI: 10.6084/m9.figshare.5666848.v1
title: Short Mood and Feelings Questionnaire for screening children and adolescents for plastic surgery: cross-cultural validation study

description: ABSTRACT CONTEXT AND OBJECTIVE: Patient-reported outcome measurements assessing the emotional state of children and adolescents who seek plastic surgery are important for determining whether the intervention is indicated or not. The aim of this study was to cross-culturally adapt and validate the Short Mood and Feelings Questionnaire (child/adolescent and parent versions) for Brazilian Portuguese, test its psychometric properties and assess the emotional state of children and adolescents who seek plastic surgery. DESIGN AND SETTING: Cross-cultural validation study conducted in a plastic surgery outpatient clinic at a public university hospital. METHODS: A total of 124 consecutive patients of both sexes were selected between September 2013 and February 2014. Forty-seven patients participated in the cultural adaptation of the questionnaire. The final version was tested for reliability on 20 patients. Construct validity was tested on 57 patients by correlating the Short Mood and Feelings Questionnaire (child/adolescent and parent versions) with the Strengths and Difficulties Questionnaire and the Rosenberg Self-Esteem scale. RESULTS: The child/adolescent and parent versions of the Short Mood and Feelings Questionnaire showed Cronbach’s alpha of 0.768 and 0.874, respectively, and had good inter-rater reliability (intraclass correlation coefficient, ICC = 0.757 and ICC = 0.853, respectively) and intra-rater reliability (ICC = 0.738 and ICC = 0.796, respectively). CONCLUSIONS: The Brazilian-Portuguese version of the Short Mood and Feelings Questionnaire is a reproducible instrument with face, content and construct validity.The mood state and feelings among children and adolescents seeking cosmetic surgery were healthy.
DOI: 10.6084/m9.figshare.5666845
title: IMPORTANCE OF LIVER BIOPSY IN THE DIAGNOSIS OF LYSOSOMAL ACID LIPASE DEFICIENCY: A CASE REPORT

description: ABSTRACT Objective: To describe a case of cholesteryl ester storage disease (CESD) and discuss the importance of liver biopsy for diagnosis. Case description: A female patient, aged two years and ten months, presented with an increased abdominal volume following hepatomegaly for four months. Abdominal ultrasound demonstrated hepatomegaly and hepatic steatosis. Laboratory tests showed elevated liver serum enzymes and dyslipidemia. Liver biopsy was consistent with CESD. Comments: Although measuring enzyme activity is the gold standard for CESD diagnosis, liver biopsy is very helpful when investigating suspected cases of CESD, particularly upon other differential diagnoses to be considered.
DOI: 10.6084/m9.figshare.5666845.v1
title: IMPORTANCE OF LIVER BIOPSY IN THE DIAGNOSIS OF LYSOSOMAL ACID LIPASE DEFICIENCY: A CASE REPORT

description: ABSTRACT Objective: To describe a case of cholesteryl ester storage disease (CESD) and discuss the importance of liver biopsy for diagnosis. Case description: A female patient, aged two years and ten months, presented with an increased abdominal volume following hepatomegaly for four months. Abdominal ultrasound demonstrated hepatomegaly and hepatic steatosis. Laboratory tests showed elevated liver serum enzymes and dyslipidemia. Liver biopsy was consistent with CESD. Comments: Although measuring enzyme activity is the gold standard for CESD diagnosis, liver biopsy is very helpful when investigating suspected cases of CESD, particularly upon other differential diagnoses to be considered.
DOI: 10.6084/m9.figshare.5666842
title: DLLME-GC/ECD Method for the Residual Analysis of Parathion-Methyl and its Application in the Study of the UV-Photodegradation Process

description: A new method has been developed to determine trace levels of organophosphorus pesticide parathion-methyl in water samples by using dispersive liquid-liquid microextraction (DLLME), followed by gas chromatograph coupled with electron capture detector (GC/ECD) analysis. The optimized and validated method showed high extraction recovery (101.1%), high enrichment factor (57.3), low limits of detection and quantification, 0.083 and 0.250 µg L-1, respectively. The established DLLME-GC/ECD method has been successfully applied for the evaluation of the photodegradation of the parathion-methyl by UV254nm radiation in different conditions of pH and temperature. The parathion-methyl photodegradation at pH 3 and 35 °C achieved &gt; 99.5% after 120 min of exposition. For this condition, it was observed the kinetic rate of 0.0515 min-1, the quantum yield of 1.22 × 10-5 mol Einstein-1 and a half-life time of 13.46 min. All experimental conditions tested proved to be strongly influenced by pH and temperature. The application of the optimized process in distilled and drinking water spiked with parathion-methyl provided residues of this pesticide at levels below the maximum permitted by Brazilian legislation, which is 9.0 µg L-1.
DOI: 10.6084/m9.figshare.5666842.v1
title: DLLME-GC/ECD Method for the Residual Analysis of Parathion-Methyl and its Application in the Study of the UV-Photodegradation Process

description: A new method has been developed to determine trace levels of organophosphorus pesticide parathion-methyl in water samples by using dispersive liquid-liquid microextraction (DLLME), followed by gas chromatograph coupled with electron capture detector (GC/ECD) analysis. The optimized and validated method showed high extraction recovery (101.1%), high enrichment factor (57.3), low limits of detection and quantification, 0.083 and 0.250 µg L-1, respectively. The established DLLME-GC/ECD method has been successfully applied for the evaluation of the photodegradation of the parathion-methyl by UV254nm radiation in different conditions of pH and temperature. The parathion-methyl photodegradation at pH 3 and 35 °C achieved &gt; 99.5% after 120 min of exposition. For this condition, it was observed the kinetic rate of 0.0515 min-1, the quantum yield of 1.22 × 10-5 mol Einstein-1 and a half-life time of 13.46 min. All experimental conditions tested proved to be strongly influenced by pH and temperature. The application of the optimized process in distilled and drinking water spiked with parathion-methyl provided residues of this pesticide at levels below the maximum permitted by Brazilian legislation, which is 9.0 µg L-1.
DOI: 10.6084/m9.figshare.5666839
title: Cryptococcoma mimicking a brain tumor in an immunocompetent patient: case report of an extremely rare presentation

description: ABSTRACT CONTEXT: Central nervous system (CNS) infectious diseases have high prevalence in developing countries and their proper diagnosis and treatment are very important for public health planning. Cryptococcus neoformans is a fungus that may cause several CNS manifestations, especially in immunocompromised patients. Cryptococcal meningitis is the most common type of involvement. Mass-effect lesions are uncommon: they are described as cryptococcomas and their prevalence is even lower among immunocompetent patients. The aim here was to report an extremely rare case of cryptococcoma causing a mass effect and mimicking a brain tumor in an immunocompetent patient. The literature on CNS cryptococcal infections was reviewed with emphasis on cryptococcomas. Clinical, surgical and radiological data on a female patient with this rare presentation of cryptococcoma mimicking a brain tumor are described. CASE REPORT: A 54-year-old female patient presented to the emergency department with a rapid-onset progressive history of confusion and completely dependency for basic activities. Neuroimaging showed a left occipital lesion and neurosurgical treatment was proposed. From histopathological evaluation, a diagnosis of cryptococcoma was established. She received clinical support with antifungals, but despite optimal clinical treatment, her condition evolved to death. CONCLUSIONS: Cryptococcal infections have several forms of presentation and, in immunocompetent patients, their manifestation may be even more different. Cryptococcoma is an extremely rare presentation in which proper surgical and clinical treatment should be instituted as quickly as possible, but even so, there is a high mortality rate.
DOI: 10.6084/m9.figshare.5666839.v1
title: Cryptococcoma mimicking a brain tumor in an immunocompetent patient: case report of an extremely rare presentation

description: ABSTRACT CONTEXT: Central nervous system (CNS) infectious diseases have high prevalence in developing countries and their proper diagnosis and treatment are very important for public health planning. Cryptococcus neoformans is a fungus that may cause several CNS manifestations, especially in immunocompromised patients. Cryptococcal meningitis is the most common type of involvement. Mass-effect lesions are uncommon: they are described as cryptococcomas and their prevalence is even lower among immunocompetent patients. The aim here was to report an extremely rare case of cryptococcoma causing a mass effect and mimicking a brain tumor in an immunocompetent patient. The literature on CNS cryptococcal infections was reviewed with emphasis on cryptococcomas. Clinical, surgical and radiological data on a female patient with this rare presentation of cryptococcoma mimicking a brain tumor are described. CASE REPORT: A 54-year-old female patient presented to the emergency department with a rapid-onset progressive history of confusion and completely dependency for basic activities. Neuroimaging showed a left occipital lesion and neurosurgical treatment was proposed. From histopathological evaluation, a diagnosis of cryptococcoma was established. She received clinical support with antifungals, but despite optimal clinical treatment, her condition evolved to death. CONCLUSIONS: Cryptococcal infections have several forms of presentation and, in immunocompetent patients, their manifestation may be even more different. Cryptococcoma is an extremely rare presentation in which proper surgical and clinical treatment should be instituted as quickly as possible, but even so, there is a high mortality rate.
DOI: 10.6084/m9.figshare.5666833
title: FEEDING DIFFICULTIES IN PRESCHOOL CHILDREN, PREVIOUS FEEDING PRACTICES, AND NUTRITIONAL STATUS

description: ABSTRACT Objective: To identify the prevalence of feeding difficulties in preschoolers, its association with epidemiological factors and previous eating habits, and repercussion on nutritional status. Methods: Cross-sectional study with a questionnaire given to the mothers of 301 children aged 2-6 years enrolled in public and private kindergartens in Natal, Northeast Brazil, conducted in 2014-2015. Feeding difficulty was assessed according to Kerzner’s criteria, resulting in the profiles “highly selective intake”, “active child with small appetite”, “fear of feeding”, and “child with psychological disorder or neglected”. Association with the following independent variables was analyzed by logistic regression: breastfeeding time, age of cows’ milk and complementary feeding introduction, age range, family income, type of school, mothers’ profile (responsive or nonresponsive), and body mass index (BMI). Results: Feeding difficulty was found in 37.2% of cases, with predominance of “highly selective intake” (25.4%). It was not associated with infancy feeding practices, family income or type of school. There were no differences between the BMI Z score means for the groups with and without feeding difficulty (1.0±1.5 SD and 1.1±1.4 SD, respectively). The five-to-six age range had more occurrences (OR 1.8; 95%CI 1.1-2.9). Children of responsive mothers were less likely to have feeding difficulties (OR 0.4; 95%CI 0.2-0.8). Conclusions: Feeding difficulties were very frequent. Nutritional status was not impacted by it, and infancy eating habits were not associated with it. Responsive mothers’ profile is a protective factor against eating difficulties and reinforces the importance of behavioral factors and mother-child interaction.
DOI: 10.6084/m9.figshare.5666830
title: Rate Coefficient for the Reaction of Cl Atoms with cis-3-Hexene at 296 ± 2 K

description: The rate coefficient of the cis-3-hexene + Cl atoms reaction at 296 ± 2 K and 750 ± 10 Torr was determined using the relative rate technique. The reaction was investigated using an 80 L Teflon reaction bag and a gas chromatograph coupled with flame-ionization detection. Chlorine atoms were produced by the photolysis of trichloroacetyl chloride. No previous experimental data was available in the literature, to the best of our knowledge. The mean second-order rate coefficient value found was (4.13 ± 0.51) × 10-10 cm3 molecule-1 s-1. The experimental value agrees with the rate coefficient estimated by structure-reactivity analysis, 4.27 × 10-10 cm3 molecule-1 s-1. Moreover, both addition and hydrogen abstraction channels contribute to the global kinetics, with branching ratios 70:30. Effective lifetime with respect to Cl atoms is predicted as 67.2 hours; however, the cis-3-hexene + Cl channel is suggested to be non-negligible at atmospheric conditions. Other atmospheric implications are discussed.
DOI: 10.6084/m9.figshare.5666830.v1
title: Rate Coefficient for the Reaction of Cl Atoms with cis-3-Hexene at 296 ± 2 K

description: The rate coefficient of the cis-3-hexene + Cl atoms reaction at 296 ± 2 K and 750 ± 10 Torr was determined using the relative rate technique. The reaction was investigated using an 80 L Teflon reaction bag and a gas chromatograph coupled with flame-ionization detection. Chlorine atoms were produced by the photolysis of trichloroacetyl chloride. No previous experimental data was available in the literature, to the best of our knowledge. The mean second-order rate coefficient value found was (4.13 ± 0.51) × 10-10 cm3 molecule-1 s-1. The experimental value agrees with the rate coefficient estimated by structure-reactivity analysis, 4.27 × 10-10 cm3 molecule-1 s-1. Moreover, both addition and hydrogen abstraction channels contribute to the global kinetics, with branching ratios 70:30. Effective lifetime with respect to Cl atoms is predicted as 67.2 hours; however, the cis-3-hexene + Cl channel is suggested to be non-negligible at atmospheric conditions. Other atmospheric implications are discussed.