Thermochemical and Theoretical Studies of 2-Hydroxyquinoxaline, 2,3-Dihydroxyquinoxaline, and 2-Hydroxy-3-methylquinoxaline

The standard (p° = 0.1 MPa) molar enthalpies of formation for crystalline 2-hydroxyquinoxaline, 2,3-dihydroxyquinoxaline, and 2-hydroxy-3-methylquinoxaline were derived from the standard molar enthalpies of combustion, in oxygen, at T = 298.15 K, measured by static bomb combustion calorimetry. The standard molar enthalpies of sublimation, at T = 298.15 K, of the three compounds were measured by Calvet microcalorimetry. The derived standard molar enthalpies of formation in the gaseous phase are 45.9 ± 4.3 kJ·mol-1 for 2-hydroxyquinoxaline, −(179.2 ± 5.3) kJ·mol-1 for 2,3-dihydroxyquinoxaline, and −(8.8 ± 4.9) kJ·mol-1 for 2-hydroxy-3-methylquinoxaline. In addition, theoretical calculations using the density functional theory and the B3LYP/6-311G** hybrid exchange-correlation energy functional were performed for these molecules in order to obtain the most stable geometries and to access their relative stability. The theoretical results are in general good agreement with experimental findings

Optimal control for an irrigation planning problem: characterisation of solution and validation of the numerical results

In a previous study, the authors developed the planning of the water used in the irrigation systems of a given farmland in order to ensure that the field cultivation is in a good state of preservation. This planning was modelled and tackled as an optimal control problem: minimize the water flow (control) so that the extent water amount in the soil (trajectory) fulfils the cultivation water requirements. In this paper, we characterize the solution of our problem guaranteeing the existence of the solution and applying the necessary and sufficient conditions of optimality. We validate the numerical results obtained previously, comparing the analytical and numerical solutions.PEst-OE/MAT/UI0013/2014 and PEST-C/FIS/UI607/2013, European Union FP7 (FP7-PEOPLE-2010-ITN, Grant Agreement no. 264735- SADCO), FCT projects PTDC/EEA-CRO/116014/2009 and PTDC/EEI-AUT/1450/201

Valores e Desenvolvimento Humano

A primeira parte desse Relatório de Desenvolvimento Humano do Brasil 2009/2010 começa com a descrição de um amplo processo de consulta aberta à sociedade, denominada Brasil Ponto a Ponto, para a escolha do tema do relatório. A Campanha Brasil Ponto a Ponto teve por objetivo estimular o debate em todo o país sobre o que precisa ser mudado no Brasil para melhorar a vida das pessoas. A campanha foi aberta a todos os brasileiros, que poderiam participar respondendo à pergunta: O que precisa mudar no Brasil para a sua vida melhorar de verdade

Diagnostic Ability Of Barrett’s Index to Detect Dysthyroid Optic Neuropathy Using Multidetector Computed Tomography

OBJECTIVES: The objective of this study was to evaluate the ability of a muscular index (Barrett's Index), calculated with multidetector computed tomography, to detect dysthyroid optic neuropathy in patients with Graves' orbitopathy. METHODS: Thirty-six patients with Graves' orbitopathy were prospectively studied and submitted to neuro-ophthalmic evaluation and multidetector computed tomography scans of the orbits. Orbits were divided into two groups: those with and without dysthyroid optic neuropathy. Barrett's index was calculated as the percentage of the orbit occupied by muscles. Sensitivity and specificity were determined for several index values. RESULTS: Sixty-four orbits (19 with and 45 without dysthyroid optic neuropathy) met the inclusion criteria for the study. The mean Barrett's index values (± SD) were 64.47% ± 6.06% and 49.44% ± 10.94%in the groups with and without dysthyroid optic neuropathy, respectively (p<0.001). Barrett's index sensitivity ranged from 32% to 100%, and Barrett's index specificity ranged from 24% to 100%. The best combination of sensitivity and specificity was 79%/72% for BI=60% (odds ratio: 9.2). CONCLUSIONS: Barrett's Index is a useful indicator of dysthyroid optic neuropathy and may contribute to early diagnosis and treatment. Patients with a Barrett's index >60% should be carefully examined and followed for the development of dysthyroid optic neuropathy

SUPPLYING AND DECOMPOSITION OF BURLAP IN A FRAGMENT OF CERRADO SENSU STRICTO

Considering the importance of nutrient cycling as an indicator in the maintenance of the ecosystem productivity, the present study aimed to assess the seasonal dynamics of production and decomposition rate of litter in a fragment of Cerrado sensu stricto. The litter collections were carried out monthly from june 2016 to may 2017, after which the leaves, branches and reproductive material were separated. The litter decomposition was evaluated using the litter bags method, with a random distribution of 288 litter bags. The annual production of litterfall was quantified in 6.042,50 kg.ha-1.yr-1, in which the leaf prevalent fraction presented a production of 4.644,40 kg.ha-1.yr-1, then, the fractions branches (1.084,10 kg.ha-1.yr-1) and reproductive material (329,90 kg.ha-1.yr-1). The litterfall obtained higher production in july with 1.464,00 kg.ha-1 and lower production in the month of December (138,70 kg.ha-1). A significant negative correlation was observed between litterfall and its fractions with the precipitation and relative humidity. The decomposition of foliar mass reached 49% and 50% of twigs during the nine-month period, in which the decomposition constant (k) for leaf mass and for branches was 0.0030g g-1day-1. For this constant, the estimate for the disappearance of total mass has been estimated to be 1.000 days (29 months). The breakdown proved to be slow for both leaves and branches thus obtaining the value of the constant of decomposition 0.0030g g-1 day-1for both

A thermochemical and theoretical study of the phenylpyridine isomers

The standard (p° = 0.1 MPa) molar enthalpies of formation for 2-, 3-, and 4-phenylpyridine in the gas phase were derived from the standard molar enthalpies of combustion, in oxygen, at 298.15 K, measured by static bomb combustion calorimetry. The standard molar enthalpies of vaporization for 2-, 3-, and 4-phenylpyridine at T = 298.15 K were measured by correlation-gas chromatography. The enthalpy of sublimation of 4-phenylpyridine was obtained as a weighted mean of the value derived from the vaporization and fusion enthalpy values and the value measured directly by Calvet microcalorimetry. The following enthalpies of formation were then derived:  2-phenylpyridine, g = 228.3 ± 5.8 kJ·mol-1; 3-phenylpyridine, g = 240.9 ± 5.5 kJ·mol-1; 4-phenylpyridine, g = 240.0 ± 3.3 kJ·mol-1. The most stable geometries of all phenylpyridine isomers were obtained using both restricted Hartree−Fock (RHF) and density functional theory (DFT/B3LYP) methods. The resulting geometries were then used to obtain estimates of enthalpies of formation of the three isomers of phenylpyridine, which are in good agreement with the experimental values. A theoretical interpretation of the effect of the phenyl ring has on the relative stabilities of the three molecules is presented

How ownership rights over microorganisms affect infectious disease control and innovation: A root-cause analysis of barriers to data sharing as experienced by key stakeholders.

Genetic information of pathogens is an essential input for infectious disease control, public health and for research. Efficiency in preventing and responding to global outbreaks relies on timely access to such information. Still, ownership barriers stand in the way of timely sharing of genetic data from pathogens, frustrating efficient public health responses and ultimately the potential use of such resources in innovations. Under a One Health approach, stakeholders, their interests and ownership issues are manifold and need to be investigated. We interviewed key actors from governmental and non-governmental bodies to identify overlapping and conflicting interests, and the overall challenges for sharing pathogen data, to provide essential inputs to the further development of political and practical strategies for improved data sharing practices

Dietary fish oil did not prevent sleep deprived rats from a reduction in adipose tissue adiponectin gene expression

Sleep deprivation in humans has been related to weight gain and consequently, increased risk for insulin resistance. In contrast, there is a significant loss of weight in sleep deprived rats suggesting a state of insulin resistance without obesity interference. Thus, we aimed to assess the effects of a rich fish oil dietetic intervention on glucose tolerance, serum insulin and adiponectin, and adipose tissue gene expression of adiponectin and TNF-α of paradoxically sleep deprived (PSD) rats. The study was performed in thirty day-old male Wistar randomly assigned into two groups: rats fed with control diet (soybean oil as source of fat) and rats fed with a fish oil rich diet. After 45 days of treatment, the animals were submitted to PSD or maintained as home cage control group for 96 h. Body weight and food intake were carefully monitored in all groups. At the end of PSD period, a glucose tolerance test was performed and the total blood and adipose tissues were collected. Serum insulin and adiponectin were analyzed. Adipose tissues were used for RT-PCR to estimate the gene expression of adiponectin and TNF-α. Results showed that although fish oil diet did not exert any effect upon these measurements, PSD induced a reduction in adiponectin gene expression of retroperitoneal adipose tissues, with no change in serum adiponectin concentration or in adiponectin and TNF-α gene expression of epididymal adipose tissue. Thus, the stress induced by sleep deprivation lead to a desbalance of adiponectin gene expression

Prognostic factors for patients treated with abiraterone

© Cecilia Melo Alvim. This work is licensed under the Creative Commons Attribution4.0 License. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/Aim: To evaluate prostate-specific antigen response (PSAr) defined as a ≥50% decrease in PSA concentration from the pretreatment value, as a prognostic factor in patients with metastatic castration-resistant prostate cancer (mCRPC) treated with abiraterone acetate (AA). Methods: Retrospective evaluation of patients with mCRPC treated with AA. Results: 124 patients were identified. Median overall survival and progression-free survival for patients achieving PSAr versus patients without PSAr were 29.3 versus 9.7 months and 17.0 versus 5.2 months, respectively. Multivariate analysis confirmed that PSAr correlated with better overall survival (hazard ratio: 0.19; 95% CI: 0.10-0.38; p < 0.001) and progression-free survival (hazard ratio: 0.24; 95% CI: 0.14-0.41; p < 0.001). Conclusion: PSAr can be utilized as prognostic and predictive factors in mCRPC patients treated with AA.info:eu-repo/semantics/publishedVersio