209,898 Works

Importance of calibration for mathematical modeling of self-purification of lotic environments

Marcio Ricardo Salla, Lucianno Eduardo Fernandes, Carlos Eugênio Pereira, Hélio Correia Da Silva Jhunior & Guilherme De Lima
Abstract: Aim To demonstrate the importance of calibration in mathematical modeling of self-purification in lotic environments, this study simulated the behavior of various parameters in a river with average annual flows between 4.0 and 32.0 m3.s-1, in a segment downstream from the entry of treated wastewater from a sewage treatment station (average monthly flow of 2.1 m3.s-1). Methods Numerical solution by finite difference of the advection-diffusion equation was used to study the dispersion and to...

Importance of calibration for mathematical modeling of self-purification of lotic environments

Marcio Ricardo Salla, Lucianno Eduardo Fernandes, Carlos Eugênio Pereira, Hélio Correia Da Silva Jhunior & Guilherme De Lima
Abstract: Aim To demonstrate the importance of calibration in mathematical modeling of self-purification in lotic environments, this study simulated the behavior of various parameters in a river with average annual flows between 4.0 and 32.0 m3.s-1, in a segment downstream from the entry of treated wastewater from a sewage treatment station (average monthly flow of 2.1 m3.s-1). Methods Numerical solution by finite difference of the advection-diffusion equation was used to study the dispersion and to...

Gas emission from anaerobic decomposition of plant resources

Marcela Bianchessi Da Cunha-Santino, Alexandre Luccas Bitar & Irineu Bianchini Junior
Abstract: Aim The aim of this study was to quantify the emission rates of gases resulting from the anaerobic decomposition of different plant resources under conditions usually found in sediments of tropical aquatic systems and drained organic soils. Methods Incubations were prepared with green leaves, bark, twigs, plant litter, sugarcane stalks and leaves, soybean leaves, grasses, forest leaves and an aquatic macrophyte (Typha domingensis). Over 10 months, the daily volume of gas evolved from decay...

Gas emission from anaerobic decomposition of plant resources

Marcela Bianchessi Da Cunha-Santino, Alexandre Luccas Bitar & Irineu Bianchini Junior
Abstract: Aim The aim of this study was to quantify the emission rates of gases resulting from the anaerobic decomposition of different plant resources under conditions usually found in sediments of tropical aquatic systems and drained organic soils. Methods Incubations were prepared with green leaves, bark, twigs, plant litter, sugarcane stalks and leaves, soybean leaves, grasses, forest leaves and an aquatic macrophyte (Typha domingensis). Over 10 months, the daily volume of gas evolved from decay...

Structural changes of the phytoplankton and epiphyton in an urban hypereutrophic reservoir

Lucineide Maria Santana & Carla Ferragut
Abstract: Aim This study evaluated the temporal changes of phytoplankton and epiphyton structure and their relationships with limnological factors in an urban hypereutrophic reservoir (Rasgão Reservoir, Brazil). Methods We collected water sample and phytoplankton in different depths at two sites (dam and near tributary input) in summer and winter 2010. Epiphyton on Salvinia spp. was sampled only at site near the tributary input. We determined limnological variables and structural attributes (species composition, density, biovolume, descriptors...

Structural changes of the phytoplankton and epiphyton in an urban hypereutrophic reservoir

Lucineide Maria Santana & Carla Ferragut
Abstract: Aim This study evaluated the temporal changes of phytoplankton and epiphyton structure and their relationships with limnological factors in an urban hypereutrophic reservoir (Rasgão Reservoir, Brazil). Methods We collected water sample and phytoplankton in different depths at two sites (dam and near tributary input) in summer and winter 2010. Epiphyton on Salvinia spp. was sampled only at site near the tributary input. We determined limnological variables and structural attributes (species composition, density, biovolume, descriptors...

Fluvial lateral environments in Río de La Plata basin: effects of hydropower damming and eutrophication

José Roberto Debastiani Júnior, Danilo Augusto De Oliveira Naliato, Gilmar Perbiche-Neves & Marcos Gomes Nogueira
Abstract Aim: Identify large-scale limnological patterns in lateral water bodies of Río de La Plata Basin, considering the influence of river damming and urban conglomerates. Methods Samplings were performed in a broad spatial scale (along 16 latitude degrees) during two seasonal periods (23 sites in summer and 20 sites in winter) for measurements of physical and chemical variables, chlorophyll a and periphyton biomass. Results Geographical distance between sites was significantly correlated with the environmental dissimilarity...

Fluvial lateral environments in Río de La Plata basin: effects of hydropower damming and eutrophication

José Roberto Debastiani Júnior, Danilo Augusto De Oliveira Naliato, Gilmar Perbiche-Neves & Marcos Gomes Nogueira
Abstract Aim: Identify large-scale limnological patterns in lateral water bodies of Río de La Plata Basin, considering the influence of river damming and urban conglomerates. Methods Samplings were performed in a broad spatial scale (along 16 latitude degrees) during two seasonal periods (23 sites in summer and 20 sites in winter) for measurements of physical and chemical variables, chlorophyll a and periphyton biomass. Results Geographical distance between sites was significantly correlated with the environmental dissimilarity...

The role of large-scale mining and its interaction with urban dynamics in a frontier region in the Amazon

Ana Carolina Campos De Melo & Ana Cláudia Duarte Cardoso
Abstract: This article deals with particularities of the urbanization process associated to the mining dynamics, which articulate directly the extraction territories to the global accumulation circuits. On the Amazon frontier, the forms of capital operationalization, altered the urban structuring, the urban-rural relationship and caused an enormous impact on the nature and on the most vulnerable sections of the population. The analysis is based on the Lefebvrian derivation of extended urbanization and on the notion of...

The role of large-scale mining and its interaction with urban dynamics in a frontier region in the Amazon

Ana Carolina Campos De Melo & Ana Cláudia Duarte Cardoso
Abstract: This article deals with particularities of the urbanization process associated to the mining dynamics, which articulate directly the extraction territories to the global accumulation circuits. On the Amazon frontier, the forms of capital operationalization, altered the urban structuring, the urban-rural relationship and caused an enormous impact on the nature and on the most vulnerable sections of the population. The analysis is based on the Lefebvrian derivation of extended urbanization and on the notion of...

Land management in mined areas: social, economic, historical and environmental issues. The case of the Morro da Mina mine and the Meridional School, In Conselheiro Lafaiete, MG

Larissa De Souza Silva Lellis & Fabiana Oliveira Araújo
Abstract: The article deals with the complex reality of the management of territories in mined areas, considering the different actors that act in the production of the space. The urban will be treated as the structure of this space and basis of territorial integration. The conflict will be used as a case study in the municipality of Conselheiro Lafaiete-MG, between Vale, owner of the mine Morro da Mina, Meridional School and the impacts resulting from...

Land management in mined areas: social, economic, historical and environmental issues. The case of the Morro da Mina mine and the Meridional School, In Conselheiro Lafaiete, MG

Larissa De Souza Silva Lellis & Fabiana Oliveira Araújo
Abstract: The article deals with the complex reality of the management of territories in mined areas, considering the different actors that act in the production of the space. The urban will be treated as the structure of this space and basis of territorial integration. The conflict will be used as a case study in the municipality of Conselheiro Lafaiete-MG, between Vale, owner of the mine Morro da Mina, Meridional School and the impacts resulting from...

The urban dynamics of financial services: centralities in the metropolis

Anderson Cavalcante, Renan P. Almeida & Nathaniel Baker
Abstract: The objective of this paper is to develop arguments that compare the dynamics of financial capital and urban space. It is first argued that financial services follow a concentration-centralization logic, with highly specialized services being offered at central places in urban space, and less complex services with a more dispersed pattern. This characteristic simultaneously promotes a centralized-deconcentration effect on the urban structure: the dispersal of services and urban amenities reduces transport costs and improves...

The urban dynamics of financial services: centralities in the metropolis

Anderson Cavalcante, Renan P. Almeida & Nathaniel Baker
Abstract: The objective of this paper is to develop arguments that compare the dynamics of financial capital and urban space. It is first argued that financial services follow a concentration-centralization logic, with highly specialized services being offered at central places in urban space, and less complex services with a more dispersed pattern. This characteristic simultaneously promotes a centralized-deconcentration effect on the urban structure: the dispersal of services and urban amenities reduces transport costs and improves...

Energies of the HOMO and LUMO Orbitals for 111725 Organic Molecules Calculated by DFT B3LYP / 6-31G*

Joao Aires-De-Sousa & Diogo A.R.S. Latino
HOMO and LUMO orbital energies for 111725 organic molecules calculated at the B3LYP/6-31G*//PM6 or B3LYP/6-31G*//PM7 level of theory.

Related publication:

* Florbela Pereira, Kaixia Xiao, Diogo A. R. S. Latino, Chengcheng Wu, Qingyou Zhang and Joao Aires-de-Sousa:

Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals.

J. Chem. Inf. Model. (2017)

DOI: 10.1021/acs.jcim.6b00340


This data set is publicly available at http://dx.doi.org/10.6084/m9.figshare.3384184.v1



Files
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frontier_orbitals_111725mols_sdf.tar.gz - 111275 molecules in the MDL SDFile format

frontier_orbitals_111725mols.xlsx - HOMO and LUMO...

Neonatal atrial flutter after insertion of an intracardiac umbilical venous catheter

Marcos Moura De Almeida, Wládia Gislaynne De Sousa Tavares, Maria Mônica Alencar Araripe Furtado & Maria Marcia Farias Trajano Fontenele
Abstract Objective: To describe a case of neonatal atrial flutter after the insertion of an intracardiac umbilical venous catheter, reporting the clinical presentation and reviewing the literature on this subject. Case description: A late-preterm newborn, born at 35 weeks of gestational age to a diabetic mother and large for gestational age, with respiratory distress and rule-out sepsis, required an umbilical venous access. After the insertion of the umbilical venous catheter, the patient presented with tachycardia....

Neonatal atrial flutter after insertion of an intracardiac umbilical venous catheter

Marcos Moura De Almeida, Wládia Gislaynne De Sousa Tavares, Maria Mônica Alencar Araripe Furtado & Maria Marcia Farias Trajano Fontenele
Abstract Objective: To describe a case of neonatal atrial flutter after the insertion of an intracardiac umbilical venous catheter, reporting the clinical presentation and reviewing the literature on this subject. Case description: A late-preterm newborn, born at 35 weeks of gestational age to a diabetic mother and large for gestational age, with respiratory distress and rule-out sepsis, required an umbilical venous access. After the insertion of the umbilical venous catheter, the patient presented with tachycardia....

Prevalence of sedentary behavior and its correlates among primary and secondary school students

Rodrigo Wiltgen Ferreira, Airton José Rombaldi, Luiza Isnardi Cardoso Ricardo, Pedro Curi Hallal & Mario Renato Azevedo
Abstract Objective: To determine the students’ exposure to four different sedentary behavior (SB) indicators and their associations with gender, grade, age, economic status and physical activity level. Methods: A cross-sectional study was conducted in 2013. The SB was collected using the HELENA instrument, composed by screen time questions (TV, video games and internet) and sitting activities on school opposite shift. The cut point of ≥2h/day was used to categorize the outcome. The Poisson regression was...

Prevalence of sedentary behavior and its correlates among primary and secondary school students

Rodrigo Wiltgen Ferreira, Airton José Rombaldi, Luiza Isnardi Cardoso Ricardo, Pedro Curi Hallal & Mario Renato Azevedo
Abstract Objective: To determine the students’ exposure to four different sedentary behavior (SB) indicators and their associations with gender, grade, age, economic status and physical activity level. Methods: A cross-sectional study was conducted in 2013. The SB was collected using the HELENA instrument, composed by screen time questions (TV, video games and internet) and sitting activities on school opposite shift. The cut point of ≥2h/day was used to categorize the outcome. The Poisson regression was...

Prevalence of Y-chromosome sequences and gonadoblastoma in Turner syndrome

Alessandra Bernadete Trovó De Marqui, Roseane Lopes Da Silva-Grecco & Marly Aparecida Spadotto Balarin
Abstract Objective: To assess the prevalence of Y-chromosome sequences and gonadoblastoma in patients with Turner syndrome (TS) using molecular techniques. Data source: A literature search was performed in Pubmed, limiting the period of time to the years 2005–2014 and using the descriptors: TS and Y sequences (n=26), and TS and Y-chromosome material (n=27). The inclusion criteria were: articles directly related to the subject and published in English or Portuguese. Articles which did not meet these...

Prevalence of Y-chromosome sequences and gonadoblastoma in Turner syndrome

Alessandra Bernadete Trovó De Marqui, Roseane Lopes Da Silva-Grecco & Marly Aparecida Spadotto Balarin
Abstract Objective: To assess the prevalence of Y-chromosome sequences and gonadoblastoma in patients with Turner syndrome (TS) using molecular techniques. Data source: A literature search was performed in Pubmed, limiting the period of time to the years 2005–2014 and using the descriptors: TS and Y sequences (n=26), and TS and Y-chromosome material (n=27). The inclusion criteria were: articles directly related to the subject and published in English or Portuguese. Articles which did not meet these...

Validation of questionnaires to assess quality of life related to fecal incontinence in children with anorectal malformations and Hirschsprung's disease

Arthur Loguetti Mathias, Ana Cristina Aoun Tannuri, Mariana Aparecida Elisei Ferreira, Maria Mercês Santos & Uenis Tannuri
Abstract Objective: Surgical treatment of anorectal malformations (ARMs) and Hirschsprung's disease (HD) leads to alterations in bowel habits and fecal incontinence, with consequent quality of life impairment. The objectives were to create and validate a Questionnaire for the Fecal Incontinence Index (FII) based on the Holschneider score, as well as a Questionnaire for the Assessment of Quality of Life Related to Fecal Incontinence in Children and Adolescents (QQVCFCA), based on the Fecal Incontinence Quality of...

Validation of questionnaires to assess quality of life related to fecal incontinence in children with anorectal malformations and Hirschsprung's disease

Arthur Loguetti Mathias, Ana Cristina Aoun Tannuri, Mariana Aparecida Elisei Ferreira, Maria Mercês Santos & Uenis Tannuri
Abstract Objective: Surgical treatment of anorectal malformations (ARMs) and Hirschsprung's disease (HD) leads to alterations in bowel habits and fecal incontinence, with consequent quality of life impairment. The objectives were to create and validate a Questionnaire for the Fecal Incontinence Index (FII) based on the Holschneider score, as well as a Questionnaire for the Assessment of Quality of Life Related to Fecal Incontinence in Children and Adolescents (QQVCFCA), based on the Fecal Incontinence Quality of...

Profile of patients with genitourinary anomalies treated in a clinical genetics service in the Brazilian unified health system

Ilanna Fragoso Peixoto Gazzaneo, Camila Maia Costa De Queiroz, Larissa Clara Vieira Goes, Victor José Correia Lessa, Reinaldo Luna De Omena Filho, Diogo Lucas Lima Do Nascimento, Reginaldo José Petroli, Susane Vasconcelos Zanotti & Isabella Lopes Monlleó
Abstract Objective: To describe the profile of patients with genitourinary abnormalities treated at a tertiary hospital genetics service. Methods: Cross-sectional study of 1068 medical records of patients treated between April/2008 and August/2014. A total of 115 cases suggestive of genitourinary anomalies were selected, regardless of age. A standardized clinical protocol was used, as well as karyotype, hormone levels and genitourinary ultrasound for basic evaluation. Laparoscopy, gonadal biopsy and molecular studies were performed in specific cases....

Profile of patients with genitourinary anomalies treated in a clinical genetics service in the Brazilian unified health system

Ilanna Fragoso Peixoto Gazzaneo, Camila Maia Costa De Queiroz, Larissa Clara Vieira Goes, Victor José Correia Lessa, Reinaldo Luna De Omena Filho, Diogo Lucas Lima Do Nascimento, Reginaldo José Petroli, Susane Vasconcelos Zanotti & Isabella Lopes Monlleó
Abstract Objective: To describe the profile of patients with genitourinary abnormalities treated at a tertiary hospital genetics service. Methods: Cross-sectional study of 1068 medical records of patients treated between April/2008 and August/2014. A total of 115 cases suggestive of genitourinary anomalies were selected, regardless of age. A standardized clinical protocol was used, as well as karyotype, hormone levels and genitourinary ultrasound for basic evaluation. Laparoscopy, gonadal biopsy and molecular studies were performed in specific cases....

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