Solvatochromic and lonochromic Effects of Iron(II)bis-(1,10-phenanthroline)dicyano: a Theoretical Study

Solvatochromic and ionochromic effects of the iron(II)bis(1,10-phenanthroline)dicyano (Fe(phen)(2)(CN)(2)) complex were investigated by means of combined DFT/TDDFT calculations using the PBE and B3LYP functionals. Extended solvation models of Fe(phen)(2)(CN)(2) in acetonitrile and aqueous solution, as well as including interaction with Mg(2+), were constructed. The calculated vertical excitation energies reproduce well the observed solvatochromism in acetonitrile and aqueous solutions, the ionochromism in acetonitrile in the presence of Mg(2+), and the absence of ionochromic effect in aqueous solution. The vertical excitation energies and the nature of the transitions were reliably predicted after inclusion of geometry relaxation upon aqueous micro- and global solvation and solvent polarization effect in the TDDFT calculations. The two intense UV-vis absorption bands occurring for all systems studied are interpreted as transitions from a hybrid Fe(II)(d)/cyano N(p) orbital to a phenanthroline pi* orbital rather than a pure metal-to-ligand-charge transfer (MLCT). The solvatochromic and ionochromic blue band shifts of Fe(phen)(2)(CN)(2) were explained with preferential stabilization of the highest occupied Fe(II)(d)/cyano N(p) orbitals as a result of specific interactions with water solvent molecules or Mg(2+) ions in solution. Such interactions occur through the CN(-) groups in the complex, and they have a decisive role for the observed blue shifts of UV-vis absorption bands.

Cytotoxic and genotoxic effects of tambjamine D, an alkaloid isolated from the nudibranch Tambja eliora, on Chinese hamster lung fibroblasts

Marine organisms have been shown to be potential sources of bioactive compounds with pharmaceutical applications. Previous chemical investigation of the nudibranch Tambja eliora led to the isolation of the alkaloid tambjamine D. Tambjamines have been isolated from marine sources and belong to the family of 4-methoxypyrrolic-derived natural products, which display promising immunosuppressive and cytotoxic properties. Their ability to intercalate DNA and their pro-oxidant activity may be related to some of the biological effects of the 4-methoxypyrrolic alkaloids. The aim of the present investigation was to determine the cytotoxic, pro-oxidant and genotoxic properties of tambjamine D in V79 Chinese hamster lung fibroblast cells. Tambjamine D displayed a potent cytotoxic effect in V79 cells (IC50 1.2 mu g/mL) evaluated by the MTT assay. Based on the MTT result, V79 cells were treated with different concentrations of tambjamine D (0.6. 1.2. 2.4 and 4.8 mu g/mL). After 24 h, tambjamine D reduced the number of viable cells in a concentration-dependent way at all concentrations tested. assessed by the trypan blue dye exclusion test. The hemolytic assay showed that the cytotoxic activity of tambjamine D was not related to membrane disruption (EC50 > 100 mu g/mL). Tambjamine D increased the number of apoptotic cells in a concentration-dependent manner at all concentrations tested according to acridine orange/ethidium bromide staining, showing that the alkaloid cytotoxic effect was related to the induction of apoptosis. MTT reduction was stimulated by tambjamine D, which may indicate the generation of reactive oxygen species. Accordingly, treatment of cells with tambjamine D increased nitrite/nitrate at all concentrations and TBARS production starting at the concentration corresponding to the IC50. Tambjamine D, also, induced DNA strand breaks and increased the micronucleus cell frequency as evaluated by comet and micronucleus tests, respectively, at all concentrations evaluated. showing a genotoxic risk induced by tambjamine D. (C) 2008 Elsevier Ireland Ltd. All rights reserved.

Analysis of Optimum Location, Viability, and Potential Effects of Wind Farm Construction in Maine

Maine has the highest potential for wind energy in New England and falls within the top twenty states in the nation. It falls just behind Wisconsin and California with an estimate electrical output of 56 billion kWhs. The geological makeup of Maine’s mountains in the western part of the state, and the exposed coastline provide opportune areas to capture wind and convert it into energy. The information included in this poster will suggest the most likely areas for wind development based on a number of factors as recommended by the American Wind Energy Association.

Climate Change and its Effects on Polar Bears

Polar bears are key indicators of the effects of climate change on the arctic ecosystem, because their existence is directly related to the sea ice habitat, where they hunt. As the Arctic continues to warm, their habitat will be reduced further and local extinction is likely to occur, especially in southern populations.

On the economic and fiscal effects of infrastructure investment in Brazil

This article studies the productive impact of infrastructure investment in Brazil. Public-capital expenditures in the country have decreased continuously over the last two decades, and this paper shows the significant impact this has had on infrastructure stocks. Cointegration analysis is used to investigate the long-run association between output and infrastructure, the results being then used to study the short-run dynamic of these variables. Whether in the short or long run, the productive impact of infrastructure was found to be relevant. Other group of simulations studies the impact of expanding capital expenditures through debt finance on debt to GDP ratio as well as on public cash áow and net worth.

Property rights as a public policy tool: an empirical analysis of the social and economic effects

Secure property rights are considered a key determinant of economic development. However, the evaluation of the causal effects of land titling is a difficult task. The Brazilian government through a program called "Papel Passado" has issued titles, since 2004, to over 85,000 families and has the goal to reach 750,000. Furthermore, another topic in Public Policy that is crucial to developing economies is income generation and child labor force participation. Particularly, in Brazil, about 5.4 million children and teenagers between 5 and 17 years old are still working. This thesis examines the direct impact of securing a property title on income and child labor force participation. In order to isolate the causal role of ownership security, this study uses a comparison between two close and very similar communities in the City of Osasco case (a town with 650,000 people in the São Paulo metropolitan area). One of them, Jardim Canaã, was fortunated to receive the titles in 2007, the other, Jardim DR, given fiscal constraints, only will be part of the program schedule in 2012, and for that reason became the control group. Also, this thesis also aims to test if there is any relationship between land title and happiness. The estimates suggest that titling results in a substantial decrease of child labor force participation, increase of income and happiness for the families that received the title compared to the others.

Income and bargaining effects on education and health

In this paper, we examine the impacts of the reform in the rural pension system in Brazil in 1991 on schooling and health indicators. In addition, we use the reform to investigate the validity of the unitary model of household allocation by testing if there were uneven impacts on those indicators depending on the gender of the recipient. The main conclusion of the paper is that the reform had significantly positive effects on the outcomes of interest, especially on those co-residing with a male pensioner, indicating that the unitary model is not a well-specified framework to understand family allocation decisions. The highest impacts were on school attendance for boys, literacy for girls and illness for middle-age people. We explore a collective model as defined by Chiappori (1992) as one possible alternative representation for the decision-making process of the poor rural Brazilian families. In the cooperative Nash equilibrium, the reform effects can be divided into two pieces: a direct income effect and bargaining power effect. The data support the existence of these two different effects

Can a great resume hurt? Gender and contrast effects on recruiting

Recruiters make many inferences about applicants' abilities and interpersonal attributes on the basis of applicants' resumes. For example, every once in a while, a good resume leaves a strong positive impression and the recruiter creates a high expectation for the selection interview. What if a disappointing interview follows? Will the great resume help or hurt the candidate? The purpose of this study is to assess the impact of a good resume on the recruiter’s evaluation of a candidate when a non-enthusiastic interview follows as well as the interacting role of gender. The results of two online experiments (n=454) where participants played the role of the recruiter, showed that, on average, a very good resume (vs. no resume) before a non-enthusiastic interview did not affect the recruiter’s evaluation of the candidate. However, when the recruiter’s and the candidate’s gender were taken into consideration, a different picture emerged. While no effect was found for male recruiters, the candidate’s resume had a clear significant impact on female recruiter’s evaluations: when the candidate was also a female, the good resume shown before the non-enthusiastic interview performance tended to help, whereas when the candidate was a male, the good resume had a significant negative effect on female recruiters’ evaluation of the candidate. In sum, in situations where the resume had a strong impact on the recruiter’s evaluation (female recruiters), the direction of the effect was moderated by the candidate’s gender. Gender differences in information processing as well as in-group/out-group biases due to gender matching are used to hypothesize and explain the main findings.

Welfare and growth effects of alternative fiscal rules for infrastructure investment in Brazil

This article studies the interplay between fiscal rules, public investment and growth in Brazil. It is investigated if it would make sense to raise public investment and, if so, under which fiscal rule it is best to do it — whether through tax financing, debt financing, or a reduction of public consumption. We construct and simulate a competitive general equilibrium model, calibrated to Brazilian economy, in which public capital is a component of the production function and public consumption directly affects individuals’ well-being. After assessing the impacts of alternative fiscal rules, the paper concludes that the most desirable financing scheme is the reduction of public consumption, which dominates the others in terms of output and welfare gains. The model replicates the observed growth slowdown of the Brazilian economy when we increase taxes and reduce public capital formation to the levels observed after 1980 and shows that the growth impact of the expansion of tax collection in Brazil was much larger than that of public investment compression.

Feasible multilateralism and the effects of regionalism

Recent research has underlined the efficiency of the GATT/WTO rules from the standpoint of politically motivated governments, emphasizing that the current multilateral rules are capable of delivering a politically efficient equilibrium. Such an equilibrium is, however, economically inef- ficient. Global free trade, in particular, is generally unattainable even in a fully cooperative world, provided that governments have distributive motivations. In such a context, we show that regional trade agreements can help move the world towards a welfare superior equilibrium. The reason is that, as members of regional trade agreements lower trade barriers against one another, they are induced to reduce their multilateral tariffs as well. Once we account for these endogenous changes–and only then–we find that regionalism can raise world welfare even in a fully cooperative (but political) world. We also find, however, that members are likely to gain "too much" from regional integration, thereby harming outsiders.

Bias and size effects of price-comparison search engines : theory and experimental evidence

We analyze the impact on consumer prices of the size and bias of price comparison search engines. In the context of a model related to Burdett and Judd (1983) and Varian (1980), we develop and test experimentally several theoretical predictions. The experimental results confirm the model’s predictions regarding the impact of the number of firms, and the type of bias of the search engine, but reject the model’s predictions regarding changes in the size of the index. The explanatory power of an econometric model for the price distributions is significantly improved when variables accounting for risk attitudes are introduced.

Fiscal interactions and spillover effects of a federal grant to brazilian municipalities

Qual o impacto de uma transferência incondicional a um município quando seu vizinho também recebe a transferência? Nesse artigo n os testamos se uma transferência do governo federal, o Fundo de Participação dos Municípios (FPM), afeta os gastos municipais de forma diferente dependendo dos municípios vizinhos. Nos utilizamos municípios próximos a um dos quatro pontos de descontinuidade no repasse do FPM de acordo com faixas de população e que possuíam vizinhos próximos a pontos de descontinuidade diferentes. Nós estimamos o impacto do FPM recebido pelo próprio municípios e pelo vizinho usando o método de Regressões em Descontinuidade (RDD). Os resultados indicam que parte do efeito flypaper do FPM sobre a economia local estimado na literatura pode ser explicado pelo aumento de gastos nos municípios vizinhos. O spillover e em geral positivo, com exceção dos gastos em saúde e saneamento em algumas faixas populacionais. Nós também consideramos uma amostra de vizinhos mais distantes dos pontos de descontinuidade, e mostramos que nesse caso as diferenças nas estimativas quando controlamos pelo FPM do vizinho não são substanciais.