Electric field gradients in (111)In-doped (Hf/Zr)(3)Al(2) and (Hf/Zr)(4)Al(3) mixed compounds: ab initio calculations, perturbed angular correlation measurements and site preference

The quadrupolar hyperfine interactions of in-diffused (111)In -> (111)Cd probes in polycrystalline isostructural Zr(4)Al(3) and Hf(4)Al(3) samples containing small admixtures of the phases (Zr/Hf)(3)Al(2) were investigated. A strong preference of (111)In solutes for the contaminant (Zr/Hf)(3)Al(2) minority phases was observed. Detailed calculations of the electric field gradient (EFG) at the Cd nucleus using the full-potential augmented plane wave + local orbital formalism allowed us to assign the observed EFG fractions to the various lattice sites in the (Zr/Hf)(3)Al(2) compounds and to understand the preferential site occupation of the minority phases by the (111)In atoms. The effects of the size of the supercell and relaxation around the oversized In and Cd probe atoms were investigated in detail.

Tolerância de trigo (Triticum aestivum) e aveia (Avena sp.) a herbicidas inibidores da enzima acetolactato sintase (ALS)

A caracterização de cultivares quanto à tolerância aos herbicidas representa uma ferramenta adicional na identificação de genes de resistência no melhoramento genético de plantas. Os objetivos do presente trabalho foram determinar a variabilidade genética em genótipos de trigo, aveia-branca e aveia-preta para tolerância a quatro herbicidas inibidores da ALS; identificar herbicidas que não apresentam efeito fitotóxico nas espécies avaliadas; e indicar possíveis genótipos tolerantes para utilização em programas de melhoramento. Os resultados demonstraram a existência de variabilidade genética em trigo para tolerância aos herbicidas inibidores da ALS. O herbicida penoxsulam não apresentou efeito sobre a produção de matéria seca nos genótipos de trigo e aveia. Os genótipos de trigo ICA 7, BRS 208 e CD 111 e a aveia-branca (Albasul) evidenciaram tolerância aos herbicidas bispyribac-sodium e penoxsulam; a aveia-preta (Agozebu) também se mostrou tolerante ao metsulfuron-methyl.

Qualidade fisiológica de sementes de trigo em resposta aos efeitos de anos e épocas de semeadura

O trabalho foi realizado com o objetivo de avaliar a qualidade fisiológica de sementes de cultivares de trigo em resposta aos efeitos de anos e épocas de semeadura. Para tanto, nos anos de 2006 e 2007, sementes de trigo das cultivares CD 104, CD 105, CD 108, CD 110, CD 111 e CD 114 foram semeadas em 22/03, 07 e 20/04, 04 e 18/05, na região de Palotina, PR. Foram analisados as seguintes características: germinação, classificação do vigor das plântulas e envelhecimento acelerado. Os dados foram submetidos à análise de variância conjunta entre os dois anos de experimento e realizaram-se os desdobramentos entre cultivares, épocas de semeadura e anos, em todas as combinações. Em relação à germinação, verificou-se que as cultivares CD 105 e CD 108 foram menos influenciadas pelas épocas de semeadura nos dois anos de cultivo. Observou-se ainda, que as épocas 22/03, 07/04 e 18/05, em 2006, não foram ideais para as cultivares CD 110, CD 111 e CD 114, avaliadas pelos testes de germinação, classificação de vigor das plântulas e envelhecimento acelerado. Conclui-se que, para a maioria das épocas de semeadura e cultivares, em 2007, foram obtidas maiores porcentagens de plântulas normais do que em 2006. Constatou-se ainda que, a maioria das cultivares apresentou maior similaridade entre os anos, na época de semeadura de 20/04 em relação aos testes de germinação e classificação do vigor das plântulas.

Critical levels of organic acids on seed germination and seedling growth of wheat

The objective of this study was to determine the responses of the wheat cultivars CD 108 and CD 111 for tolerance to organic acids. The effects of five concentrations of the three main acids formed in the soil were studied: acetic acid (0, 4, 8, 12 and 16 mM), propionic acid (0, 4, 8, 12 and 16 mM) and butyric acid (0, 2, 4, 8 and 12 mM). Tests included germination, shoot length, root length and dry weight of shoot and root. The variable root length is the most responsive variable for all the acids tested and the critical level of toxicity of acetic, propionic and butyric acids, which reduced root length by at least 50% was 9.0, 8.5 and 4.0 mM respectively. It was concluded that the presence of acetic, propionic and butyric acids in the germination substratum of wheat seeds of the cultivars CD 111 and CD 108 reduced seedling development, mainly by reducing the length of the radicles.

Cultivares de trigo submetidas a déficit hídrico no início do florescimento, em casa de vegetação

The water restriction can damage the performance of crops, especially in the flowering period. Thus, the aim of this research was to evaluate the response of genotypes of wheat submitted to water deficit in the beginning of flowering. The experiment was conducted in greenhouse, in a completely randomized design, in factorial scheme 3 x 2, with five replications. The factors studied were: three wheat cultivars (Coodetec (CD) 105, 108 and 111) and 2 irrigation managements (with and without imposition of water deficit). During the period of water deficit imposition, gravimetric soil moisture and the relative content of water in leaf were evaluated, while at the moment of rehydration the biometric variables were determined. At the end of the crop cycle the components of production were evaluated. Reduction was found in the gravimetric soil moisture, in the relative levels of water and in all biometric variables, in function of the water deficit. The grain production showed difference only among the water regimes, in which the cultivar CD 111 is more efficient in the maintenance of the productive potential in conditions of water deficit, through the quick recovery in the relative content of water in leaves.

Hyperfine interaction studies with (181)Ta and (111)Cd probes in the compound Ti(2)Ag

By using the time-differential perturbed angular correlation technique, the electric field gradients (EFG) at (181)Hf/(181)Ta and (111)In/(111)Cd probe sites in the MoSi(2)-type compound Ti(2)Ag have been measured as a function of temperature in the range from 24 to 1073 K. Ab initio EFG calculations have been performed within the framework of density functional theory using the full-potential augmented plane wave + local orbitals method as implemented in the WIEN2k package. These calculations allowed assignments of the probe lattice sites. For Ta, a single well-defined EFG with very weak temperature dependence was established and attributed to the [4(e)4mm] Ti site. For (111)Cd probes, two of the three measured EFGs are well defined and correlated with substitutional lattice sites, i.e. both the [4(e)4mm] Ti site and the [2(a)4/mmm] Ag site.

Evaluación de la resistencia aerobica en niños deportistas de 6 a12 años de edad del área metropolitana de la Cd. de Monterrey, NuevoLeón, México.

Tesis (Maestría en Ciencias del Ejercicio con Especialidad en Eduación Física y Deporte en la Infancia y Adolesencia) UANL

Functional studies of the deubiquitinating enzymes USP19, USP4 and UCH-L1

El marcaje de proteínas con ubiquitina, conocido como ubiquitinación, cumple diferentes funciones que incluyen la regulación de varios procesos celulares, tales como: la degradación de proteínas por medio del proteosoma, la reparación del ADN, la señalización mediada por receptores de membrana, y la endocitosis, entre otras (1). Las moléculas de ubiquitina pueden ser removidas de sus sustratos gracias a la acción de un gran grupo de proteasas, llamadas enzimas deubiquitinizantes (DUBs) (2). Las DUBs son esenciales para la manutención de la homeostasis de la ubiquitina y para la regulación del estado de ubiquitinación de diferentes sustratos. El gran número y la diversidad de DUBs descritas refleja tanto su especificidad como su utilización para regular un amplio espectro de sustratos y vías celulares. Aunque muchas DUBs han sido estudiadas a profundidad, actualmente se desconocen los sustratos y las funciones biológicas de la mayoría de ellas. En este trabajo se investigaron las funciones de las DUBs: USP19, USP4 y UCH-L1. Utilizando varias técnicas de biología molecular y celular se encontró que: i) USP19 es regulada por las ubiquitin ligasas SIAH1 y SIAH2 ii) USP19 es importante para regular HIF-1α, un factor de transcripción clave en la respuesta celular a hipoxia, iii) USP4 interactúa con el proteosoma, iv) La quimera mCherry-UCH-L1 reproduce parcialmente los fenotipos que nuestro grupo ha descrito previamente al usar otros constructos de la misma enzima, y v) UCH-L1 promueve la internalización de la bacteria Yersinia pseudotuberculosis.

Application of mesoporous SBA-15 silica functionalized with 4-amino-2-mercaptopyrimidine for the adsorption of Cu(II), Zn(II), Cd(II), Ni(II), and Pb(II) from water

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

The protein LJM 111 from Lutzomyia longipalpis Salivary Gland Extract (SGE) accounts for the SGE-inhibitory effects upon inflammatory parameters in experimental arthritis model

Several studies have pointed out the immunomodulatory properties of the Salivary Gland Extract (SGE) from Lutzomyia longipalpis. We aimed to identify the SGE component (s) responsible for its effect on ovalbumin (OVA)-induced neutrophil migration (NM) and to evaluate the effect of SGE and components in the antigen-induced arthritis (AIA) model. We tested the anti-arthritic activities of SGE and the recombinant LJM111 salivary protein (rLJM111) by measuring the mechanical hypernociception and the NM into synovial cavity. Furthermore, we measured IL-17, TNF-alpha and IFN-gamma released by lymph nodes cells stimulated with mBSA or anti-CD3 using enzyme-linked immunosorbent assay (ELISA). Additionally, we tested the effect of SGE and rLJM111 on co-stimulatory molecules expression (MHC-II and CD-86) by flow cytometry. TNF-alpha and IL-10 production (ELISA) of bone marrow-derived dendritic cells (BMDCs) stimulated with LPS, chemotaxis and actin polymerization from neutrophils. Besides, the effect of SGE on CXCR2 and GRK-2 expression on neutrophils was investigated. We identified one plasmid expressing the protein LJM111 that prevented NM in OVA-challenged immunized mice. Furthermore, both SGE and rLJM111 inhibited NM and pain sensitivity in AIA and reduced IL-17, TNF-alpha and IFN-gamma. SGE and rLJM111 also reduced MHC-II and CD-86 expression and TNF-alpha whereas increased IL-10 release by LPS-stimulated BMDCs. SGE, but not LJM 111, inhibited neutrophils chemotaxis and actin polymerization. Additionally, SGE reduced neutrophil CXCR2 expression and increased GRK-2. Thus, rLJM111 is partially responsible for SGE mechanisms by diminishing DC function and maturation but not chemoattraction of neutrophils. (C) 2012 Elsevier B.V. All rights reserved.

Complessi tetrazolici di Re(I): design e preparazione di una nuova classe di probes luminescenti

In this experimental work we report the design, the synthesis and characterization of a new class of Re(I) complexes of the general formula fac-[Re(CO)3(N^N)(2-QTZ)], where N^N = 2,2’ bipyridine or 1,10 phenantroline, whereas 2-QTZ is the anion 2-quinolyl-tetrazolate. The complexes and, in particular, the tetrazolate ligand 2-QTZ were designed in order to investigate their specific interaction with biologically and toxicologically relevant metal ions, as Zn(II), Cd(II) e Cu(II). The addition of such ions led to substantial variations of the photophysical properties of these complexes, suggesting their application as luminescent sensors. The photophysical performance of the complexes proved to remain unchanged inside cellular substrates, as Yarrowia Lipolytica cultures. Within these yeasts, the complexes show unchanged ability to perform luminescent sensing towards Zn(II) and Cd(II) ions.

Molecular interaction between perthiolated [beta]-cyclodextrin (CD) and the guests molecules adamantaneacetic acid (AD) and ferroceneacetic acid (FC); and the effect of the interaction on the electron transition of CD anchored particles

The molecular interactions between the host molecule, perthiolated beta-cyclodextrin (CD), and the guest molecules, adamantaneacetic acid (AD) and ferroceneacetic acid (FC), have been inestigated theoretically in both the gas and aqueous phases. The major computations have been carried out at the theoretical levels, RHF/6-31G and B3LYP/6- 31G. MP2 electronic energies were also computed based at the geometries optimized by both the RHF and B3LYP methods in the gas phase to establish a better estimate of the correlation effect. The solvent phase computations were completed at the RHF/6-31G and B3LYP/6-31G levels using the PCM model. The most stable structures optimized in gas phase by both the RHF and B3LYP methods were used for the computations in solution. A method to systematically manipulate the relative position and orientation between the interacting molecules is proposed. In the gas phase, six trials with different host-guest relative positions and orientations were completed successfully with the B3LYP method for both the CD-AD and CD-FC complexes. Only four trials were completed with RHF method. In the gas phase, the best results from the RHF method gives for the association Gibbs free energy (ΔG°) values equal to -32.21kj/mol for CD-AD and -25.73kj/mol for CD-FC. And the best results from the B3LYP method have ΔG° equal to -47.57kj/mol for CD-AD and -41.09kj/mol for CD-FC. The MP2 correction significantly lowers ΔG° based on the geometries from both methods. For the RHF structure, the MP2 computations lowered ΔG° to -60.64kj/mol for CD-AD and -54.10 for CD-FC. For the structure from the B3LYP method, it was reduced to -59.87 kj/mol for CD-AD and -54.84 kj/mol for CDFC. The RHF solvent phase calculations yielded following results: ΔG°(aq) equals 107.2kj/mol for CD-AD and 111.4kj/mol for CD-FC. Compared with the results from the RHF method, the B3LYP method provided clearly better solvent phase results with ΔG° (aq) equal to 38.64kj/mol for CD-AD and 39.61kj/mol for CD-FC. These results qualitatively explain the experimental observations. However quantitatively they are in poor agreement with the experimental values available in the literature and those recently published by Liu et al. And the reason is believed to be omission of hydrophobic contribution to the association. Determining the global geometrical minima for these very large systems was very difficult and computationally time consuming, but after a very thorough search, these were identified. A relevant result of this search is that when the complexes, CD-AD and CD-FC, are formed, the AD and FC molecules are only partially embedded inside the CD cavity. The totally embedded complexes were found to have significantly higher energies. The semiempirical method, ZINDO, was employed to investigate the effect of complexation on the first electronic excitation of CD anchored to a metal nano-particle. The computational results revealed that after complexation to FC, the transition intensity declines to about 25% of the original value, and after complexation with AD, the intensity drops almost 50%. The tighter binding and transition intensity of CD-AD qualitatively agrees with the experimental result that the addition of AD to a solution of CD and FC restores the fluorescence of CD that was quenched by the addition of FC. A method to evaluate the “hydrophobic force” effect is proposed for future work.