993 resultados para Colisões moleculares


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Conselho Nacional de Desenvolvimento Científico e Tecnológico

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A displasia epitelial (DE) oral é uma desordem potencialmente maligna (DPM), cujo diagnóstico e gradação histológica se baseiam nas suas alterações arquiteturais e citológicas. Para avaliar o risco de transformação maligna dessas lesões de forma mais precisa é fundamental entender e localizar alterações genéticas e epigenéticas nas células displásicas, as quais podem ajudar a compreender melhor a progressão para a malignidade. Dessa forma, o presente estudo objetivou avaliar a imunoexpressão de EGFR e PTEN nas DEs orais e relacionar esse aspecto com as características clínicas e gradação histológica pelo sistema binário (baixo e alto risco de transformação maligna). Para tanto, foram selecionados 20 casos de DE de alto risco e 20 de baixo risco para serem submetidos à análise imunoistoquímica para os biomarcadores supracitados. A imunomarcação de cada caso foi avaliada semiquantitativamente através de escores e quanto à localização nos estratos epiteliais. A análise estatística foi realizada através dos testes de Mann-Whitney, Qui-quadrado de Pearson, Exato de Fisher e de correlação de Spearman com nível de significância estabelecido em 5%. Os resultados mostraram que 57,5% dos pacientes eram do gênero feminino, a média de idade foi de 57,5 anos, 42,5% foram diagnosticados clinicamente como leucoplasia e a maioria dos casos foi proveniente de lesões localizadas na língua (32,5%). De forma geral, gênero e idade não exerceram influência na imunoexpressão do EGFR e PTEN. A expressão do EGFR foi observada em 100% dos casos, nos quais houve predomínio do escore 3 (75%) e imunoreatividade em todas as camadas epiteliais (55%), independente da gradação histológica (p = 0,453 e p = 0,204, respectivamente). O PTEN revelou positividade de marcação em 87,5% dos casos, nos quais observou-se predomínio do escore 0 (55%) e imunoreatividade limitada à camada basal (40%), porém sem diferenças significativas entre os grupos histológicos (p = 0,904 e p = 0,915, respectivamente). Por fim, quando analisados, em conjunto, os 40 casos de DEs, foi observada uma fraca correlação positiva, estatisticamente significativa, entre os padrões de imunoexpressão do EGFR e do PTEN (r = 0,317; p = 0,046). Com base nesses resultados, alterações no padrão de expressão do EGFR e PTEN sugerem que essas proteínas participam de processos moleculares relacionados com a carcinogênese em mucosa oral

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The utilization of the immunohistochemical/histochemical double staining technique comes permitting the analysis of two molecular parameters at the same time in an even tissue. Starting from this, the objective of this study was to investigate the existence of differences between the number of NORS/NUCLEUS between p53 positive and p53 negative cells, as well as the existence of correlation between the medium of the NORs of the p53 positive and negative cells and the histological scores of maligninancy in 16 cases of oral squamous cell carcinoma. It was first classified in agreement with the histological grade system of maligninancy proposed by Bryne (1998) and the double staining technique immunohistochemistry/histochemistry was utilized for the achievement to quantify of the NORs in p53 positive and negative cells. It had not significant differences between the medium number of NORs of the p53 positive cells and of the p53 negative cells, and they were not correlated with the histological scores of malignancy. We conclude that the related phenotype to the p53 immunohistochemical expression did not influence the average of NORS/NUCLEUS and this medium, in both positive and negative cells, is not correlated with the degree of histological aggressivity of the oral squamous cell carcinoma

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The Oral Epithelial Dysplasia (OED) is the lesion that precedes or co-exists with the Oral Squamous Cell Carcinoma (OSCC), presenting molecular and/or histological similar alterations. The divergences about the malignization potential of OEDs and the role of inflammation in this process make hard the early diagnosis and evaluation of OSCCs aggressiveness. Thus, it became the goal of this study to evaluate the role of inflammation in oral carcinogenesis and tumoral aggressiveness. For this purpose a morphological study was performed in 20 OED cases and 40 OSCC cases to detect the malignization potential of OEDs and the histologic malignancy grading (HMG) of OSCCs, analyzing superficial masses for dismorphism evaluation and the invasive front for evaluation of tumoral growing; and immunohistochemical, using anti-CD8, anti-FOXP3, anti-TGFβ, anti-TNFα and anti-NF-кB antibodies, comparing their with the types lesion, histological degree and intensity of the inflammatory infiltrate. The results were statistically significant for the parameters: cell maturity (p=0,0001), masses presence (p=0,038) and dismorphism (p=0,037), when associated to HMG. To compare the expression of the markers with the types lesion, a significantly higher expression of CD8 (p=0,001) and NF-кB (p=0,002) in the OED, and also a smaller expression of the epithelial TGFβ in the severe OEDs (p=0,011), without significant expression between OSCC degrees. By relating the expression of the studied markers with the inflammatory infiltrate intensity, a positive relation was observed with: inflammatory TNFα(p=0,003), epithelial TNFα and NF-кB (p=0,051 and p=0,004), in OEDs; and with CD8 (p=0,021) and TNFα (p=0,015) in conjunctive OSCCs; and a negative relation with epithelial TNFα (p=0,034) in OSCCs. No significant relation was found between FOXP3 with any of the studied variables. These findings lead to the conclusion that, the study of the invasive front is as important as the study of superficial masses for the evaluation of tumoral aggressiveness; the intensity of the inflammatory infiltrate has no use as a parameter for prognostic evaluation of OSCC in routine exams, but, the molecular events detected in this study may be necessary to give basis for determining the malignant potential in OEDs and aggressiveness in OSCCs

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The Zona Incerta (ZI) is embryologically derived from the ventral thalamus, in continuity with the reticular nucleus of the thalamus. Studies usingneural tracers technics have allowed identify a complex connectional map including the ZI. Futhermore, cytochemical, molecular and functional data have shown abundant variability in the neurochemical contend in the ZI, as well as,the involvement of the ZI in the modulation of nociception, attention, alertness, control and maintenance of posture and control of visceral activity. This work aims to characterize the cytoarchitecture, neurochemical content of the ZI in the rock cavy (Kerodon rupestris), and a direct retinal-ZI pathway present in this species. The Nissl staining is effective for the delineation and characterization of ZI citoarchitecture. ZIc receives a contralateral retinal projection showing varicosities, suggesting a modulatory character of photic information. The ZI in the rock cavy, as in others rodents and primates, is characterized by a complex neurochemical signature. The ZI neurochemistry presents great diversity, especially in the medial portion of ZIr, where we have found immunoreactivity of all neuroactive substances investigated, and that NOS-IR, GFAP and CR helped the delimitation of middle ZI in ZId and ZIv. Nevertheless, just 5-HT-IR fibers are present in all subdivisions of the ZI. These data demonstrate the great wealth of the neurochemistry of rock cavy s ZI and a direct retinal modulation in the ZI, helping to explain it s broad functional repertory

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Due to environmental restrictions around the world, clean catalytic technology are of fundamental importance in the petrochemical industry and refineries. Creating the face of this a great interest in replacing the liquid acids for solid acids, so as molecular sieves have been extensively studied in reactions involving the acid catalysis to produce chemical substances with a high potential of quality. Being the activity of the catalysts involved in the reaction attributed to the acid character of them involved for the Lewis and Brönsted acid sites. Based on this context, this study aimed to prepare catalysts acids using a molecular sieve silicoalumino-phosphate (SAPO-11) synthesized in hidrotermical conditions and sulphated with sulphuric acid at different concentrations, using to it the method of controlled impregnating. The samples resulting from this process were characterized by x-ray difratometry (DRX), scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FT-IR), thermal analysis (TG-DTG) and determination of total acidity (by n-butilamin adsorption). The results show that the synthesis method used was efficient in the formation of AEL structure of SAPO-11 and when being incorporated the sulfate groups in this structure the acidity of the material was increased, pointing out that to very high concentrations of acid there is a trend of decrease the main peaks that form the structure. Finally they were tested catalytictly by the reaction model of conversion of m-xylene which showed favorable results of conversion for this catalyst, showing to be more selective of cracking products than isomerization, as expected, in order that for the o-xylene selectivity there was no positive change when to sulfate a sample of SAPO-11, while for light gases of C1-C4 this selectivity was remarkably observed

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Emissions of CO2 in the atmosphere have increased successively by various mechanisms caused by human action, especially as fossil fuel combustion and industrial chemical processes. This leads to the increase in average temperature in the atmosphere, which we call global warming. The search for new technologies to minimize environmental impacts arising from this phenomenon has been investigated. The capture of CO2 is one of the alternatives that can help reduce emis ions of greenhouse gases. The CO2 can be captured through the process of selective adsorption using adsorbents for this purpose. Were synthesized by hydrothermal method, materials of the type MCM-41 and Al-MCM-41 in the molar ratio Si / Al equal to 50. The synthesis of gels were prepared from a source of silicon, sodium, water and aluminum in the case of Al-MCM-41. The period of synthesis of the materials was 5 days in autoclave at 100°C. After that time materials were filtered, washed and dried in greenhouse at 100 º C for 4 hours and then calcined at 450 º C. Then the calcined material was functionalized with the Di-isopropylamine (DIPA) by the method of wet impregnation. We used 0.5 g of material mesopores to 3.5 mL of DIPA. The materials were functionalized in a closed container for 24 hours, and after this period were dried at brackground temperature for 2 hours. Were subsequently subjected to heat treatment at 250°C for 1 hour. These materials were used for the adsorption of CO2 and were characterized by XRD, FT-IR, BET / BJH, SEM, EDX and TG / DTG. Tests of adsorption of CO2 was carried out under the following conditions: 100 mg of adsorbent, temperature of 75°C under flow of 100 mL/min of CO2 for 2 hours. The desorption of CO2 was carried out by thermogravimetry from ambient temperature to 900ºC under flow of 25 mL min of He and a ratio of 10ºC/min. The difratogramas X-ray for the synthesized samples showed the characteristic peaks of MCM-41, showing that the structure of it was obtained. For samples functionalized there was a decrease of the intensities of these peaks, with a consequent reduction in the structural ordering of the material. However, the structure was preserved mesopores. The adsorption tests showed that the functionalized MCM-41 is presented as a material promising adsorbent, for CO2 capture, with a loss of mass on the desorption CO2 of 7,52%, while that in Al-MCM- 41 functionalized showed no such loss

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Mesoporous molecular sieves of MCM-41 type are considered as promising support for metal in the refining processes of petroleum-based materials as catalysts and adsorbents for environmental protection. In this work, mesoporous molecular sieves MCM-41 were modified with different rare earth ions (La, Eu e Yb) for the obtaining nanostrutured materials with catalytic properties. The catalysts were synthesized by the hydrothermal method at 100oC for 120 h, presenting, all the samples, in the gel of synthesis molar ratio Si/Ln = 50. The obtained materials after calcination at 500oC for 2 h were characterized by XRD, surface area BET, TG/DTG, FTIR, and hydrothermal stability at 700ºC. The XRD analysis of the catalysts indicated that the materials containing rare earth presented characteristic hexagonal structure of the mesoporous materials of the type MCM-41. The TG curves showed that the decomposition of the structural template occurs in the materials at temperatures lower than 500oC. The samples presented variations as the specific superficial area, average diameter of pores and thickness of the silica wall, as a function of the nature of the rare earth impregnated in the mesoporous material. Hydrotermal stability was evaluated through the exposition of the materials to water vapour at 700°C. The thiophene adsorptions reach a maximum at 80% of conversion and incorporation of the rare earths showed influence in the process. Adsorption capacity followed the sequence: Yb-MCM-41 < La-MCM-41 < Eu-MCM-41 < MCM-41

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Modified polyacrylamides with ≅ 0.2 mol % of N,N-dihexylacrylamide and hydrolysis degree from 0 to 25 % were synthesized by micellar copolymerization. The hydrophobic monomer was obtained by the reaction between acryloyl chloride and N,Ndihexylamine and characterized by infrared (IR) and proton nuclear magnetic resonance (1H NMR) spectroscopy. The polymer molecular structures were determined through 1H and 13C NMR spectroscopy and the polymers were studied in dilute and semi-dilute regimes by viscometry, rheometry, static light scattering and photon correlation spectroscopy, at the temperature range from 25 to 55 ºC. The data obtained by viscometry showed that the intrinsic viscosity from the hydrolyzed polymers is larger than the precursor polymers at the same ionic strength. The comparison between the charged polymers showed that the polymer with higher hydrolysis degree has a more compact structure in formation water (AFS). The increase of temperature led to an enhanced reduced viscosity to the polymers in Milli-Q water (AMQ), although, in brine, only the unhydrolyzed polymer had an increase in the reduced viscosity with the temperature, and the hydrolyzed derivatives had a decrease in the reduced viscosity. The static light scattering (SLS) analyses in salt solutions evidenced a decrease of weight-average molecular weight (⎯Mw) with the increase of the hydrolysis degree, due to the reduction of the thermodynamic interactions between polymer and solvent, which was evidenced by the decrease of the second virial coefficient (A2). The polymers showed more than one relaxation mode in solution, when analyzed by photon correlation spectroscopy, and these modes were attributed to isolated coils and aggregates of several sizes. The aggregation behavior depended strongly on the ionic strength, and also on the temperature, although in a lower extension. The polymers showed large aggregates in all studied conditions, however, their solutions did not displayed a good increase in water viscosity to be used in enhanced oil recovery (EOR) processes

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This work is a study of coordination compounds by quantum theory of atoms in molecules (QTAIM), based on the topological analysis of the electron density of molecular systems, both theoretically and experimentally obtained. The coordination chemistry topics which were studied are the chelate effect, bent titanocene and chemical bond in coordination complexes. The chelate effect was investigated according to topological and thermodynamic parameters. The exchange of monodentate ligands on polydentate ligands from same transition metal increases the stability of the complex both from entropy and enthalpy contributions. In some cases, the latter had a higher contribution to the stability of the complex in comparison with entropy. This enthalpic contribution is explained according to topological analysis of the M-ligand bonds where polidentate complex had higher values of electron density of bond critical point, Laplacian of electron density of bond critical point and delocalization index (number of shared electrons between two atoms). In the second chapter, was studied bent titanocenes with bulky cyclopentadienyl derivative π-ligand. The topological study showed the presence of secondary interactions between the atoms of π-ligands or between atoms of π-ligand and -ligand. It was found that, in the case of titanocenes with small difference in point group symmetry and with bulky ligands, there was an nearly linear relationship between stability and delocalization index involving the ring carbon atoms (Cp) and the titanium. However, the titanocene stability is not only related to the interaction between Ti and C atoms of Cp ring, but secondary interactions also play important role on the stability of voluminous titanocenes. The third chapter deals with the chemical bond in coordination compounds by means of QTAIM. The quantum theory of atoms in molecules so far classifies bonds and chemical interactions in two categories: closed shell interaction (ionic bond, hydrogen bond, van der Waals interaction, etc) and shared interaction (covalent bond). Based on topological parameters such as electron density, Laplacian of electron density, delocalization index, among others, was classified the chemical bond in coordination compounds as an intermediate between closed shell and shared interactions

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The separation oil-water by the use of flotation process is characterized by the involvement between the liquid and gas phases. For the comprehension of this process, it s necessary to analyze the physical and chemical properties command float flotation, defining the nature and forces over the particles. The interface chemistry has an important role on the flotation technology once, by dispersion of a gas phase into a liquid mixture the particles desired get stuck into air bubbles, being conduced to a superficial layer where can be physically separated. Through the study of interface interaction involved in the system used for this work, was possible to apply the results in an mathematical model able to determine the probability of flotation using a different view related to petroleum emulsions such as oil-water. The terms of probability of flotation correlate the collision and addition between particles of oil and air bubbles, that as more collisions, better is the probability of flotation. The additional probability was analyzed by the isotherm of absorption from Freundlich, represents itself the add probability between air bubbles and oil particles. The mathematical scheme for float flotation involved the injected air flow, the size of bubbles and quantity for second, the volume of float cell, viscosity of environment and concentration of demulsifier. The results shown that the float agent developed by castor oil, pos pH variation, salt quantity, temperature, concentration and water-oil quantity, presented efficient extraction of oil from water, up to 95%, using concentrations around 11 ppm of demulsifier. The best results were compared to other commercial products, codified by ―W‖ and ―Z‖, being observed an equivalent demulsifier power between Agflot and commercial product ―W‖ and superior to commercial product ―Z‖

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Intensive use of machinery and engines burning fuel dumps into the atmosphere huge amounts of carbon dioxide (CO2), causing the intensification of the greenhouse effect. Climate changes that are occurring in the world are directly related to emissions of greenhouse gases, mainly CO2, gases, mainly due to the excessive use of fossil fuels. The search for new technologies to minimize the environmental impacts of this phenomenon has been investigated. Sequestration of CO2 is one of the alternatives that can help minimize greenhouse gas emissions. The CO2 can be captured by the post-combustion technology, by adsorption using adsorbents selective for this purpose. With this objective, were synthesized by hydrothermal method at 100 °C, the type mesoporous materials MCM - 41 and SBA-15. After the synthesis, the materials were submitted to a calcination step and subsequently functionalized with different amines (APTES, MEA, DEA and PEI) through reflux method. The samples functionalized with amines were tested for adsorption of CO2 in order to evaluate their adsorption capacities as well, were subjected to various analyzes of characterization in order to assess the efficiency of the method used for functionalization with amines. The physic-chemical techniques were used: X- ray diffraction (XRD), nitrogen adsorption and desorption (BET/BJH), scanning electron microscopy (SEM), transmission electron microscopy (TEM), CNH Analysis, Thermogravimetry (TG/DTG) and photoelectron spectroscopy X-ray (XPS). The CO2 adsorption experiments were carried out under the following conditions: 100 mg of adsorbent, at 25 °C under a flow of 100 ml/min of CO2, atmospheric pressure and the adsorption variation in time 10-210 min. The X-ray diffraction with the transmission electron micrographs for the samples synthesized and functionalized, MCM-41 and SBA-15 showed characteristic peaks of hexagonal mesoporous structure formation, showing the structure thereof was obtained. The method used was efficient reflux according to XPS and elemental analysis, which showed the presence of amines in the starting materials. The functionalized SBA -15 samples were those that had potential as best adsorbent for CO2 capture when compared with samples of MCM-41, obtaining the maximum adsorption capacity for SBA-15-P sample

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Dengue is considered as the most important arthropod-borne viral disease throughout the world due to the high number of people at risk to be infected, mainly in tropical and subtropical regions of the planet. The etiologic agent is Dengue Virus (DENV), it is a single positive-stranded RNA virus of the family Flavivirus, genus Flaviviridae. Four serotypes are known, DENV-1, DENV-2, DENV-3 and DENV-4. One of the most important characteristic of these viruses is the genetic variability, which demands phylogenetic and evolutionary studies to understand key aspects like: epidemiology, virulence, migration patterns and antigenic characteristics. The objective of this study is the genetic characterization of dengue viruses circulating in the state of Rio Grande does Norte from January 2010 to December 2012. The complete E gene (1485 pb) of DENV1, 2 e 4 from Brazilian (Rio Grande do Norte) patients was sequenced. Phylogenetic analysis was performed using MEGA 5.2 software, Tamura-Nei model and Neighbor-Joining trees were inferred for the datasets. In Brazil, there is just one DENV-1 genotype (genotype V), one DENV-2 genotype (Asian/American) and two DENV-4 genotypes (genotypes I and II). Brazilian strains of DENV-1 are subdivided in two different lineages (BR-I and BR-II), the Brazilian strains of DENV-2 are subdivided in four lineages (BRI-IV) and genotype II of DENV-4 is subdivided in three Brazilian lineages (BRI-III). The viruses isolated in RN belong to lineage BR-II (DENV-1), BR-IV (DENV-2) and BR-III (DENV-4).The Caribbean and near Latin American countries are the main source of these viruses to Brazil. Amino acids substitutions were detected in three domains of E protein, this makes clear the necessity of studies that associate epidemiological and molecular data to better understand the effects of these mutations. This is the first study about genetic characterization and evolution of Dengue viruses in Rio Grande do Norte, Brazil

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Understanding the historical and ecological relationships which are influent in current biological diversity is one of the most challenging tasks of evolutionary biology. Recent systematics emphasizes the need of integrative approaches to delimit different lineages and species. The northeastern Brazil, mostly placed in Caatinga biome, is characterized by a semi-arid weather, low precipitation and seasonal behavior of rivers. This region is regarded lacking as ichthyological knowledge and one of the most threatened by anthropic activities. Further, will be affected by a massive water diverpsion work that will transfer waters from São Francisco basin, to other major four basins: Jaguaribe, Apodi-Mossoró, Piranhas-Açu and Paraiba do Norte. Loss of diversity and richness, hibridizitation, community interactions changes, population homogenization, changes in water quality and flow regime, are examples of environmental impacts already related with similar works. The present study aims to investigate morphological and molecular variation of Cichlasoma orientale Kullander 1983 and Crenicichla menezesi Ploeg 1991, two cichlid species present in northeastern Brazil basins. Further, the study aims to evaluate the influence of geomorphological and climatic processes in this variation, and point some possible impacts of the artificial connectivity which can be brought by São Francisco interbasin water transfer to their population dynamics. Geometric morphometrics and phylogeographical analysis were used to investigate the populations from three different hydrological regions. Our results showed a significant morphological variation of populations from basins that are involved in the São Franscisco s diversion project, not related to an ancient separation between populations, emphasizing morphological variation which could represent a set of plastic responses to the variable hydrological regime in Northeastern Brazil. The role of plastical responses in naturally variable habitats as well as the potential disturbs that could be brought by the interbasin water transfer works are discussed here. Further, our molecular data allowed us to make inferences about species distribution and their taxonomy, and identification of a potential new species of Crenicichla for São Francisco river basin. Our data also allowed to identify some shared haplotypes for both species, which could be related to lineage sorting scenarios or recent gene flow between populations. However a strong structure in most of the pairwise comparisons between populations for both species was revealed. Climatic events such as Atlantic forest regression during the Pleistocene, sea level fluctuations and dispersion by paleorivers in the mouth of Apodi-Mossoró river, and neotectonic events regulating the connection between drainages are likely to have had a contribution for the actual lineages distribution in northeastern Brazil. Further, analysis of molecular variation (AMOVA and SAMOVA) showed that the actual basin s isolation is an important factor to molecular variation, in spite of the signal of recent contact between some basins. Different genetic diversity patterns between species could be related to multiple historic events of colonization, basins landscapes or biological differences. The present study represents the first effort of integrative systematics involving fish species of northeastern Brazil, and showed important morphological and molecular patterns which could be irrecoverably affected by the artificial connection that might be caused by the São Francisco interbasin water transfer

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Gasteroid fungi include several distinct lineages of basidiomycetes that were grouped by presenting some striking features in common like angiocarpic development and passive release of basidiospores. For a long period these fungi were accomodate in Gasteromycetes class. However, biochemistry and molecular studies showed the polyphyly of this group and curriently this class lies devoid of taxonomic value. These organisms influence the ecology of the various biomes, however, are poorly studied and knowledge of their diversity in neotropical ecosystems remains insufficient, despite studies that have been developed in recent years. The Brazilian semiarid region has many areas with an unexplored mycobiota. Ceará State has many areas of extreme biological importance and for this study three protected areas were chosen: Área de Proteção Ambiental da Serra da Ibiapaba, Parque Nacional de Ubajara and Área de Proteção Ambiental de Baturité. Therefore, the aim of this study was to inventory gasteroid fungi ocorring in these three areas in the semiarid region of Ceará. The expeditions, herborization and analysis of specimes were based in traditional methodology used to identify gasteroid fungi. Were identified 16 species belong to 5 families: Agaricaceae, Clathraceae, Geastraceae, Nidulariceae and Phallaceae. Morganella nuda Alfredo & Baseia is recorded for the second time in the world, Blumenavia angolensis (Welw. & Curr) Dring and Mutinus elegans (Mont.) E. Fisch. corresponds to a first record in the Brazilian Northeastern. Except for Abrachium floriforme (Baseia & Calonge) Baseia & T.S. Cabral and Geastrum lloydianum Rick, all remaining species are new records for Ceará, increasing the list of gasteroid fungi in the region of 3 for 17 species. Identified species were deposited in the collection of the Herbarium of Universidade Federal do Rio Grande do Norte. Although these areas have proved conducive to the study of gasteroid fungi, more efforts are still needed to increase knowledge of these fungi in the region