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Background: The search for prognostic markers in hepatocellular carcinoma (HCC) is essential for clinical decisions. In addition to established variables such as liver function and tumor extent, cancer-associated inflammation can impact clinical outcomes. Evolutionary variation in inflammatory indexes, such as the neutrophil-to-lymphocyte ratio (NLR) or platelet-to-lymphocyte ratio (PLR), may correlate with therapeutic benefit. Our aim is to assess the prognostic role of immune cell counts and inflammation indexes in HCC patients treated with systemic therapy and the evolutionary behavior of these variables within the first month of treatment. Methods: We analyzed a cohort of patients consecutively treated with first-line sorafenib from 2009 to 2021. Subgroups were divided based on the median value of each variable/index in “low” or “high”. Survival was estimated using the Kaplan-Meier method and compared using log-rank. Hazard Ratio (HR) with 95% confidence interval (CI) were estimated using Cox regression models and Harrell´s C indexes were calculated to define their accuracy. Results: 373 patients were included, most of them male (75.6%), Child-Pugh A (83.1%) and BCLC C (74%). Median survival was 9.7 months (95%CI: 8.7-10.8 months). The following factors were independently associated with a better prognosis: Child-Pugh A (p=0.011), ECOG-PS 0 (pConclusion: Evolutionary variation of NLR has a prognostic role in HCC patients under systemic therapy. This finding suggests that systemic inflammation and early modulation of the immune environment during treatment may correlate with survival.

The baru oil has a high degree of unsaturation and relevant amount of oleic and linoleic acids content, which favors its use for food and pharmaceutical industries. Hexane is the most widely used solvent for oil extraction. However, its flammability, cost, and polluting potential justify the study of alternatives solvents such as ethanol and isopropanol that are less toxic and flammable and efficient in the extraction of other oils, as already reported in literature. This work represents the extraction of baru almond oil with the solvents hexane, ethanol, isopropanol, and isopropanol: ethanol (1:1) to compare their extraction yields. The parameters solid: solvent ratio, temperature and time were optimized using a central composite design. The higher yields were found in lower solid: solvent ratios and higher temperatures (ethanol - 29.12 %, isopropanol - 39.66 %, isopropanol: ethanol - 41.13 % and hexane - 36.59 %). Isopropanol and isopropanol: ethanol (1:1) mixture presented satisfactory results when compared to hexane, becoming alternatives for its replacement. In the extractions which the time was significant, the adjustment of the kinetic models indicated that the extraction is described by a second order model. The solvents researched showed to be promising for hexane replacement in the oil extraction from baru almond.

Este artigo apresenta resultados de uma pesquisa que visou analisar os efeitos da regulação da Agência Nacional de Saúde Suplementar (ANS) sobre a distribuição de resultados em operadoras de planos de saúde (OPS) das modalidades de cooperativa médica (COM) e medicina de grupo (MDG), por meio de dados secundários (financeiros e operacionais), coletados junto à ANS entre 2010 e 2016. Foram utilizadas para análise de dados: estatística descritiva e análise de regressão com dados em painel. Constatou-se que as OPS, classificadas como MDG, distribuíram maior porção média de seus resultados em relação às cooperativas médicas. Ambos os modelos estimados apresentaram alto poder explicativo, indicando uma adequabilidade das variáveis tradicionais para a explicação do fenômeno. Ademais, diversas variáveis de controle foram significantes nos modelos das duas modalidades. Em relação às variáveis de regulação, observou-se que a região de atuação das OPS foi a principal variável determinante na distribuição de resultados. Nesse caso, ambas as modalidades que não tinham acesso a centros com maior número de beneficiários e poder aquisitivo, tenderam a distribuir uma menor proporção de seus resultados. A pesquisa desenvolvida apresenta as seguintes contribuições: (a) ajuda a suprir uma lacuna teórica na literatura brasileira sobre a distribuição de resultados em organizações com capital essencialmente fechado; (b) evidencia o papel da regulação de um setor como variável determinante desse fenômeno; (c) demonstra a validade de variáveis tradicionais para explicar a distribuição de resultados em OPS; e (d) propõe variáveis regulatórias para auxiliar no estudo desse fenômeno no setor de saúde suplementar.

Quantum interference (QI) effects have recently attracted increased interest in electron transport studies of single molecular junctions. Although QI effects have been explained in a variety of molecular devices by different chemical rules, such as orbital-based prediction, the graphical scheme, and cross-conjugated states, recently, experimental and theoretical reports have claimed to have reached a better understanding of QI features. In particular, azulene molecule derivatives present an insightful case study where these simple rules of thumb can fail. Here, we explore the validity of graphical rules and the effects of closed loops in the azulene molecular structure. The electron transport behavior through an azulene core with different moieties (thiol, ethynyl-thiol, phenyl-thiol, and ethynyl-phenyl-thiol) was investigated with first-principles calculations combined with the non-equilibrium Green's function (NEGF) technique. The transmission spectra at zero bias show that the graphical rules are not sufficient to predict and explain the destructive QI effect in these azulene derivatives. Instead, closed-loop diagrams should be taken into account to properly describe the transport properties in those systems, but the presence of a closed-loop does not necessarily lead to the absence of destructive QI in the transmission spectrum. Our results indicate that the destructive QI effect is found when the azulene core is coupled at the 4,7Az-, 5,7Az- and 1,3Az-positions with ethynyl-phenyl-thiol moieties, while no obvious destructive QI effect is observed in the other azulene derivatives, either with the thiol, ethynyl-thiol or phenyl-thiol anchoring groups. We also demonstrated that the I-V curves depend more strongly on anchoring groups than the coupling position.

Theoretical analysis based on density functional theory describes the microscopic origins of emerging electronic and magnetic properties in quasi-1D nitrogen-rich graphene nanoribbon structures with chevron-like (or wiggle-edged) configurations. The study focuses on systems with structural units composed of hexagonal graphitic units featuring one and two nitrogen atoms substituted in the graphitic structure, in positions contrasting with the more commonly considered pyridinic configurations. This type of substitution introduces nitrogen levels close to the Fermi level which in turn induce spin polarization depending on a number of structural features. We demonstrate that these systems present a broader set of electronic and magnetic behaviors relative to their pure hydrocarbon counterparts, with the possibility of engineering the electronic band gap strategically using different spin configurations and positions of the substituting nitrogen atoms.

The rational design of single-molecule electrical components requires a deep and predictive understanding of structure-function relationships. Here, we explore the relationship between chemical substituents and the conductance of metal-single-molecule-metal junctions, using functionalized oligophenylenevinylenes as a model system. Using a combination of mechanically controlled break-junction experiments and various levels of theory including non-equilibrium Green's functions, we demonstrate that the connection between gas-phase molecular electronic structure and in-junction molecular conductance is complicated by the involvement of multiple mutually correlated and opposing effects that contribute to energy-level alignment in the junction. We propose that these opposing correlations represent powerful new "design principles" because their physical origins make them broadly applicable, and they are capable of predicting the direction and relative magnitude of observed conductance trends. In particular, we show that they are consistent with the observed conductance variability not just within our own experimental results but also within disparate molecular series reported in the literature and, crucially, with the trend in variability across these molecular series, which previous simple models fail to explain. The design principles introduced here can therefore aid in both screening and suggesting novel design strategies for maximizing conductance tunability in single-molecule systems.

Graphenylene and naphthylene have recently been proposed as two-dimensional carbon allotropes conceptually defined by the assembly of phenyl-like (P) or naphthyl-like (N) units with the creation of side squarelike rings. These structures can be cut into one-dimensional (1D) nanoribbons displaying electronic properties ranging from metals to semiconductors. Even though they have not been synthesized to date, recent advances in preprogrammed atomically precise chemical routes are compatible with their future synthesis. Here, an alternative naphthylene form is proposed. It is named as the $\ensuremath{\gamma}$ type, which is theoretically constructed by combining P and N blocks joined by 4-membered links. This naphthylene-$\ensuremath{\gamma}$ has a semiconductor behavior and theory predicts that this property is shared by its nanoribbon counterparts. Computational analysis also indicates the electronic structure of these systems is dictated by quasi-1D states due to the interplay between the system's geometry (e.g., chirality and edge structure) and its electronic properties.

As fontes vegetais oleaginosas despertam grande interesse cientifico devido a possibilidade de enriquecer os alimentos e a aplicabilidade em cosmeticos, combustiveis, entre outros. O oleo da amendoa de baru apresenta grandes quantidades de proteinas, lipideos de cadeia insaturada e elevado potencial antioxidante, com grandes concentracoes de compostos fenolicos. Solventes como isopropanol e etanol vem sendo investigados para substituir o hexano na extracao de oleos, pois este e toxico e proveniente de fonte nao renovavel. Assim, o presente estudo teve como objetivo estudar a variacao dos efeitos de cada solvente na extracao do oleo de baru, a fim de substituir o hexano. Os resultados mostraram que os oleos obtidos pelas extracoes com isopropanol e etanol possuem semelhancas ao obtido atraves do hexano, sendo, portanto, viavel a substituicao deste nas industrias.

This study aims to compare the evidence level of environmental indicators that follow the GRI guidelines, related to the three leading companies in Brazilian pulp and paper industry, Suzano, Klabin and Fibria, in 2012. For achieving this goal, annual sustainability reports and websites of the companies studied were analyzed. The companies reported mainly those aspects related to materials, water, biodiversity and others, while products and services, compliance and energy were less emphasized. The results show that the three companies presented a low evidence level, with missing or incomplete indicators. Finally, despite the reports presented and classified as A+ and B+, it is possible to conclude that the companies did not include key indicators and presented unorganized information and lack of standardization.

An isolated roughness at the edge of zigzag graphene nanoribbons (zGNRs) breaks the natural bipartite symmetry in the graphene lattice, which might lead to magnetic frustration. Interestingly, the coupling between delocalized states of the roughness and the extended states of the zGNRs induces quantum phenomena, such as destructive quantum interference (DQI), which might play an important role to allow or forbid electrons to transfer through a system. In this work, the electronic and spin-polarized transport properties of the porphine molecule attached to the 6zGNR via different β- and meso- connections are studied using nonequilibrium Green’s function calculations performed within the density functional theory framework (NEGF-DFT). Here, we demonstrated that the porphine/6zGNRs present in the FM ground state for all the couplings and the hybridization between porphine and 6zGNR disturb the bipartite graphene lattice, leading to spin-frustration. Particularly, the porphine molecule introduces Fano-antires...

Recently, a new semiconductor two-dimensional (2D) material, namely, holey nitrogenated graphene 2D crystal (C2N-h2D), has been fabricated by using a bottom-up wet-chemical reaction. Using first-principles density functional theory (DFT) combined with the non-equilibrium Green's function (NEGF) technique, we investigate the atomic, electronic and quantum transport properties of porous C2N nanoribbons having both zigzag- and armchair-terminated edges. The zigzag C2N-h nanoribbons (ZC2N-hNRs) are semiconductors with an indirect band gap that decreases as the ribbon width increases. Meanwhile, the armchair C2N-h nanoribbons (AC2N-hNRs) show a metallic behavior for all ribbon widths, except for one of the candidates considered in this study, which presents a small band gap (0.14 eV). Interestingly, non-equilibrium calculations suggest that these structures display edge-dependent electronic transport properties where the armchair C2N-hNRs show a strong negative differential resistance (NDR) behavior with current peak-to-valley ratios that remarkably increase with increasing ribbon width, and non-linear current–voltage characteristics were found for the zigzag C2N-hNRs.

This work reports a theoretical and experimental study on the electronic and vibrational properties of Bi

Made available in DSpace on 2019-10-06T16:11:40Z (GMT). No. of bitstreams: 0 Previous issue date: 2019-02-01 Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) Sex chromosomes are generally excluded from genomic analyses, although X chromosome is the second largest chromosome and harbors many genes. The objective of this study was to evaluate the effect of X chromosome by identifying its regions associated with reproductive traits in Nelore cows through a genome-wide association and by estimating its linkage disequilibrium. Phenotypic data of 76,845 and 76,700 animals were used for pregnancy at 16 months and age at first calving, respectively, as well as genotypic data of 1,999 females. Linkage disequilibrium was estimated for X chromosome and for autosomes 1 and 2, due to similar size of chromosomes. Single-step method was used for association analysis and some genes with known role in reproduction were reported for both traits, such as KLHL4 which is associated with development of the female reproductive system, and PCDH11X which is associated with the onset of primary ovarian insufficiency. Moreover, some genes were associated with both traits, indicating a pleiotropic effect. However, contribution of the windows in X-chromosome is very small when compared to autosomes: an unexpected fact. The results revealed higher linkage disequilibrium on the X chromosome (0.2248 ± 0.17) compared to the other chromosomes (0.1965 ± 0.14 and 0.1967 ± 0.14 for autosomes 1 and 2, respectively), indicating low recombination rates. Universidade Federal do Oeste da Bahia (UFOB) Escola de Medicina Veterinária e Zootecnia Universidade Federal da Bahia (UFBA) Departamento de Zootecnia Faculdade de Ciências Agrárias e Veterinárias Universidade Estadual Paulista (Unesp) Departamento de Zootecnia Faculdade de Ciências Agrárias e Veterinárias Universidade Estadual Paulista (Unesp) FAPESP: 2009/16118-5 CNPq: 310443/2017-2 CNPq: 422799/2016-5

Graphene is one of the crystalline forms of carbon, along with diamond, graphite, carbon nanotubes, and fullerenes, and is considered as a revolutionary and innovating product. The use of a graphene-based nanolabels is one of the latest and most prominent application of graphene, especially in the field of diagnosis and, recently, in loco radiotherapy when coupled with radioisotopes. However, its biological behavior and mutagenicity in different cell or animal models, as well as the in vivo functional activities, are still unrevealed. In this study we have developed by a green route of synthesizing graphene quantum dots (GQDs) and characterized them. We have also developed a methodology for direct radiolabeling of GQDs with radioisotopes.Finally; we have evaluated in vivo biological behavior of GQDs using two different mice models and tested in vitro mutagenicity of GQDs. The results have shown that GQDs were formed with a size range of 160-280 nm, which was confirmed by DRX and Raman spectroscopy analysis, corroborating that the green synthesis is an alternative, environmentally friendly way to produce graphene. The radiolabeling test has shown that stable radiolabeled GQDs can be produced with a high yield (>90%). The in vivo test has demonstrated a ubiquitous behavior when administered to healthy animals, with a high uptake by liver (>26%) and small intestine (>25%). Otherwise, in an inflammation/VEGF hyperexpression animal model (endometriosis), a very peculiar behavior of GQDs was observed, with a high uptake by kidneys (over 85%). The mutagenicity test has demonstrated A:T to G:C substitutions suggesting that GQDs exhibits mutagenic activity.

Graphynes (GYs) are a new class of two-dimensional (2D) carbon allotrope materials that are similar to graphene but with C2 units inserted into certain bonds to produce physical properties distinct from those of graphene. In this work, atomic, electronic, and quantum transport properties of γ-GY—a particular type of graphyne—absorbed on the silicon (111) surface are investigated from atomistic first principles. γ-GY possesses an intrinsic direct band gap, and when interacting with the Si(111), interesting subgap electronic structure is induced to mediate charge transport. In particular, the transmission spectra of the γ-GY/Si(111) hybrid device have a high broad peak at the Fermi level due to hybridization. For γ-GY/Si(111) transport junctions having a finite length trench underneath the γ-GY, substantial charge conduction can still occur through the γ-GY bridge. Nonequilibrium calculations suggest that the hybrid 2D γ-GY/Si(111) transport junction is highly controllable by external voltages.

Motivated by recent experimental research on the temperature-induced unfold of ${\mathrm{C}}_{60}$ molecules, carbon nanostructures are proposed based on the complex assemblies of molecules resulting from the hierarchical unzipping of fullerene cages. Such assemblies can result in either 1D ribbons or 2D porous membrane systems whose electronic structure is studied here using ab initio calculations. These ribbons and membranes show versatile electronic behaviors such as direct or indirect band gaps that can be fine tuned as a function of the details of the atomic structure, such as the type of assembly and ribbon width.

We investigate spin transport properties in a junction composed of a polyacetylene chain bridging two zigzag graphene nanoribbon (ZGNR) electrodes with antiferromagnetic (AF) and ferromagnetic (FM) ordering. The transport calculations are carried out using a nonequilibrium Green’s function (NEGF) technique combined with density functional theory (DFT). Previous studies have demonstrated that the ZGNRs exhibit a special AF ordering and half-metallicity at edge states, both of which can be destroyed by applying a strong external electric field. Moreover a stable FM state can be found in ZGNRs under an electric field. Here we demonstrate that the connection between the molecular bridge and nonequivalent carbon atoms (A/B) in the graphene sublattice of ZGNRs may occur in two bonding arrangements and can produce either metallic or semiconducting systems depending on the local coupling. By considering the carbon ring where the chain is attached, one connection resembles a para-linkage in benzene while the other...

Dissertação (mestrado)—Universidade de Brasília, Faculdade UnB Planaltina, Programa de Pós-Graduação em Gestão Pública, Mestrado Profissional em Gestão Pública, 2016. Os cidadãos estão cada vez mais conscientes da necessidade de reivindicar a qualidade no serviço público, o que faz com que a administração pública se preocupe em como atingir sua missão e melhorar seus procedimentos. Dessa forma, intensifica-se a busca pela excelência nos serviços ou produtos entregues, desse modo, a gestão de processos se torna fator imprescindível para alcance de resultados organizacionais. As dificuldades enfrentadas por uma instituição nova, que não traz consigo alguns procedimentos preestabelecidos, afunila na necessidade de normatização, monitoramento e controle de processos. A gestão de processos implica na instituição e no contínuo monitoramento de rotinas. O presente estudo, uma pesquisa qualitativa de caráter exploratória e descritiva, utilizando-se das técnicas de análise bibliográficas, entrevistas semiestruturadas e análise documental tendo como objetivo identificar os processos do IFB Campus Samambaia, bem como os críticos, evidenciar a ausência da gestão de processos, caracterizando as deficiências nessas execuções, identificar as necessidades que o Campus possui em relação a esse gerenciamento, e por fim, apresentar uma proposta de metodologia para gerenciamento de processos. Dentre as colaborações deste trabalho estão a possibilidade do IFB se estruturar na gestão de processos e o desenvolvimento e aplicação de novas práticas ligadas à maneira da organização enxergar as interfaces entre eles, dentre os principais resultados dessa pesquisa pode-se elencar, elucidação do modo mecanicista de condução dos processos; percepção de deficiências em normatização de rotinas, visão sistêmica dos processos identificados, e as contribuições gerenciais que um modelo de gerenciamento de processos pode trazer. Percebe-se que cada vez mais, as organizações fazem uso de metodologias para execução e gestão dessas rotinas, porém, a verificação de aderência desses modelos é fator relevante para sucesso da implementação, desse modo, a pesquisa finaliza com a proposição de um modelo piloto de gerenciamento de processos para o Campus Samambaia que tem por objetivo contribuir para a eficácia organizacional. Citizens are increasingly aware of the need to claim the quality in the public service, which makes the government worry about how to achieve their mission and improve its procedures. Thus, it intensifies the search for excellence in the services or products delivered, thus the process management becomes essential factor for achieving organizational results. The difficulties faced by a new institution, which does not bring some pre-established procedures, tapers on the need for regulation, monitoring and control processes. Process management involves the establishment and ongoing monitoring routines. This study was a qualitative research of exploratory and descriptive character, using the bibliographical analysis techniques, semi-structured interviews and document analysis aiming to identify the processes of IFB Campus Fern and critics, noted the absence of process management, featuring the deficiencies in these executions, to identify the needs of the campus has in relation to this management, and finally present a proposed methodology for process management. Among the contributions of this work is the possibility of IFB to structure the management processes and the development and application of new practices related to the way the organization see the interfaces between them, among the main results of this research can be to list, elucidation of mechanistically processes driving; perceived shortcomings in standardization routines, systemic view of the identified processes and managerial contributions to a process management model can bring. It is noticed that more and more organizations make use of methodologies for implementation and management of these routines, however, compliance verification of these models is a relevant factor for successful implementation, therefore, the research concludes with the proposal of a pilot model management processes for Campus Fern which aims to contribute to organizational effectiveness.

The investigation of nanodevices with specific capacitive effects is one of the issues that must be addressed to develop the nanotechnology subject. In this paper we present by quantum mechanics calculations, the design of these properties of an organic three-terminal nanodevice, the controlled molecular rectifier (CMR). Our results are consistent with: (a) The capacitance shows increase for values lower and greater than a specific value (from −1.5 V and 0.9 V) provoking on switch state in the device without gate current; (b) diffusion [depletion] capacitance is present under forward and reverse [only reverse] bias; (c) a rectifier with asymmetric bi-directional bias is acquired; (d) also the CMR device has the same capacitive properties of usual thyristor family and Schottky diode integrated in a single device. The CMR could be utilized as a device that works at low potency level and high operational frequencies as PHz, e.g., 10 12 times higher than typical devices and it could be useful for applications in switches that demand high-speed static pulse signals.

Este trabalho foi conduzido com o objetivo de avaliar o efeito da adição de vagens de algaroba ao capim-elefante sobre a composição química e a microbiota fúngica das silagens. Os tratamentos constaram de silagens formadas pela associação de capim-elefante e vagens de algaroba nas seguintes proporções: 100:0; 67:33; 34:66 e 0:100. O delineamento experimental foi o inteiramente casualizado, com quatro tratamentos e quatro repetições. As silagens foram confeccionadas em mini-silos de PVC, mantidos lacrados por 120 dias. Após abertura dos silos, foram coletadas amostras das silagens para isolamento e identificação dos fungos e avaliação da composição química das silagens. A adição de vagens ao capim-elefante reduziu linearmente os teores de FDN, FDA e cinzas (MM) e aumentou o de MS. Um total de 490 unidades formadoras de colônias (UFC) foi isolado por g de material e apresentou a seguinte distribuição: 68; 101; 261 e 58 UFC/g de silagens, respectivamente, nos tratamentos 100:0; 67:33; 34:66 e 0:100. A adição de vagens aos silos alterou a microbiota fúngica das silagens. No tratamento contendo somente silagem de algaroba, houve maior diversidade de espécies fúngicas, apesar da menor contagem de UFC/g de amostra, enquanto, no tratamento com 66% de algaroba, observaram-se maior crescimento de fungos e menor diversidade de espécies fúngicas.