Abstract We describe the toxicity of multiwalled carbon nanotubes (MWCNTs) in two aquatic species: Danio rerio and Artemia salina. Fish were exposed to 25 mg L-1, 50 mg L-1, and 100 mg L-1 MWCNTs for 7 days. After exposure, the gills from D. rerio showed lamellar fusion and epithelial lifting in the secondary lamellae, and vasodilation in the primary lamellae. In the gills, heat shock protein 70 and Bax (pro apoptotic member) were stained more intensely in the treated groups than in the control group. The nauplii of A. salina were exposed to 25 µg L-1, 50 µg L-1, and 100 µg L-1 MWCNTs for 96 h. After exposure, the nauplii from the control group presented 20 % mortality, whereas the 25 µg mL-1, 50 µg mL-1, and 100 µg L-1 groups had 46.7 %, 70 %, and 100 % mortality, respectively. The nauplii exposed to 25 µg mL1 and 50 µg mL1 MWCNTs had black aggregates in the intestine because of the uptake of nanomaterials. In addition, the 25 µg mL-1 and 50 µg mL-1 MWCNT groups had black aggregates attached onto the body surface, appendages of the second pair, and mandibles.The results revealed the toxic effects of MWCNTs on the two aquatic organisms, and both species showed great potential for toxicological evaluation of MWCNTs in aquatic environments.

RESUMO Este artigo investiga o comportamento do desempenho de uma pequena estação de tratamento de águas residuais descentralizada, com capacidade de até 50 equivalentes de população alimentada por energia solar. O reator de bateladas sequenciais de dois estágios (SBR) consiste em um sistema fotovoltaico (PV) para fornecer energia, uma bateria de armazenamento para operação noturna e dois tanques de reação. No período experimental de 157 dias, a afluência de esgoto foi aumentada de 3 para 4,5 e 6 m3.d−1, com idades de lodo de 32 ± 2 d no início e 21 ± 2 d no fim. Os resultados correspondentes às diferentes fases indicaram alta eficiência e estabilidade do sistema com esgoto doméstico, que atingiu eficiências nos períodos de teste de 93 ± 2%, 86 ± 4% e 93 ± 6% para a remoção de demanda química de oxigênio (DQO), nitrogênio (N) e fósforo (P), respectivamente. Nos últimos 51 dias, a aeração noturna foi interrompida por três horas para economizar energia e estudar o comportamento das fases prolongadas sem aeração. A redução das fases de aeração pode ajudar a estender a vida útil das baterias e reduzir os custos operacionais, enquanto os valores limite na saída ainda são atendidos.

ABSTRACT This article investigates the performance behaviour of a small decentralized wastewater treatment plant with a capacity of up to 50 population equivalents powered by solar energy. The two-stage sequencing batch reactor (SBR) consists of a photovoltaic (PV) system to deliver energy, a battery storage for night operation and two reactor tanks. In the experimental period of 157 days, the wastewater inflow was increased from 3 to 4.5 and 6 m3.d−1, with sludge ages of 32 ± 2 d in the beginning and 21 ± 2 d in the end. The results corresponding to the different phases indicated high efficiency and stability of the system with domestic wastewater, reaching efficiencies of the test periods of 93 ± 2%, 86 ± 4% and 93 ± 6% for removal of chemical oxygen demand, nitrogen and phosphorus, respectively. In the last 51 days, aeration in the night was interrupted for three hours to save energy and study the behaviour of extended non-aerated phases. A shortening of the aeration phases can help to extend the lifetime of batteries and reduce operational costs, while limiting values in the outlet are still met.

ABSTRACTS An educational intervention program was proposed for the implementation of the sustainability dimensions in the academic education of Mining Engineering students at the University of Moa Dr. Antonio Núñez Jiménez. There were obtained activities that integrate the sustainability dimensions to the future professional performance of these students and methodological guidelines for its implementation. Its application should contribute to rasing awareness at work by reducing the negative impact that their activity causes on the environment, society and man.

RESUMEN El artículo propone un Programa de intervención educativa para la implementación de las dimensiones de la sostenibilidad en la formación del estudiante de Ingeniería en Minas en la Universidad de Moa “Dr. Antonio Núñez Jiménez”. Se obtuvieron actividades que integran las dimensiones de la sostenibilidad al futuro desempeño profesional de este estudiante y orientaciones metodológicas para su implementación. Su aplicación debe contribuir a lograr una concientización en el trabajo por disminuir los impactos negativos que su actividad provoca al medioambiente, a la sociedad y al hombre.

Abstract Pesticides, as Temephos and Roundup, and surfactants, like Sodium Dodecyl Sulfate (SDS), when discharged into the environment, are harmful to non-target wildlife, especially fish. To evaluate the effects of those chemicals alone and their binary combinations, we assessed the histological alterations in Danio rerio gills after 15 days of exposure to Temephos (1ppm), Roundup (10ppm), SDS (2ppm), SDS plus Temephos (2ppm+1ppm), SDS plus Roundup (2ppm+10ppm) and Temephos plus Roundup (1ppm+10ppm). Hyperplasia, a regressive change, was significant in all exposed groups. The progressive change, complete fusion of lamellae, was significantly intensive in Roundup plus Temephos group. Regarding circulatory disturbances, vascular congestion was significant intensive in SDS group, while severe aneurysm was observed in Roundup group. Although xenobiotics in the blend are biologically complex, mainly for long periods, combinatorial exposure incremented only complete fusion of lamellae. Our results reinforce the rationalization of indiscriminate use of those compounds alone or in combination.

Gold compounds engage an important place in the field of medicinal chemistry due to their therapeutic properties. Since the last four decades, Au(I) and Au(III) complexes have attracted the attention of researchers due to their anti-tumor proprieties and the different mechanisms of action they display in comparison to conventional anticancer platinum compounds. Au(I/III) complexes can inhibit the activity of enzymes containing thiols including thioredoxin reductase; nevertheless, the affinity for several therapeutic targets has been confirmed in recent years. The properties conferred by auxiliary ligands such as phosphines (PR3) and N-heterocyclic carbenes (NHCs) to gold complexes have been key to the development of more promising anticancer compounds. In the same way, it has happened with the inclusion of some multidentate ligands in Au(III) complexes, increasing their stability and selectivity for tumor cells. In this review, we discuss the anticancer effects of Au(I) complexes containing PR3 and NHCs ligands as well as Au(III) complexes containing multidentate ligands especially those that have high cytotoxicity and information on the mechanism of action, as well as attempts to target identification and validation.

Abstract Herein we evaluated the histopathological alterations and expression patterns of multixenobiotic resistence (MXR) and autophagic proteins in liver samples of fish chronically exposed to anthropogenic contaminants in a highly polluted river, and then again after they had been transferred to good quality water. Two groups were established: euthanized on the day of capture (0 h), and maintained for 30 days in a tank (30 d). The fish of 0 h presented liver with vacuolated and hypertrophic hepatocytes. Also, it was observed strong immunostaining of cathepsin-D, LC3-II and P-gp. Necrosis and apoptosis were also observed throughout the liver. Conversely, the second group (30 d) showed recovery of the liver normal histology and weak immunoreaction of the studied proteins. So, our results indicated that there was a hepatic recovery in the fish kept in good quality water, as showed by the decreased expression of cathepsin-D, LC3-II, and the MXR (P-gp). Therefore, the alterations here observed could be proposed as potential biomarkers to be tested for following the impacts of remediation or mitigation measures to environmental impacts.

Poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) synthesis was monitored by resonance Raman (RR) and surface-enhanced resonance Raman scattering (SERRS) spectroscopies and both the oxidation of the polymer and the effects of chain length were assessed by vibrational analysis. It was supported by theoretical models of oligomers, with charge ranging from 0 to +6 and size varying from 2 to 16 3,4-ethylenedioxythiophene (EDOT) repeat units, described through density functional theory. The symmetric CαCβ stretching band observed at ca. 1426 cm-1 shifts to higher wavenumbers for reaction times varying from 2 to 9 hours and stabilizes at intermediate wavenumbers for longer times. The former behavior was ascribed to the increase of concentration of oxidized species, which was corroborated by calculated wavenumbers for oligomer models when their charges changed from neutral to +6. The behavior observed for longer reaction times was associated with the growth of chains. It was also observed through SERRS spectroscopy that small chains of the polymer, obtained in the early time of the synthesis, adsorbs on gold nanoparticle surfaces through interactions via oxidized residues. In this way, RR and SERRS spectroscopies were valuable tools to follow the synthetic procedures of PEDOT:PSS, allowing the determination of the structural evolution of the polymer.

New insights into the formation of azlactone heterocycles bearing different substituents are hereby presented. The sum of both kinetic and thermodynamic factors contributes for the formation of 2-alkyl or 2-aryl substituted azlactones, while the cyclization of 2-alcoxy azlactones is less favored. These results are in perfect accordance with experimental observations obtained by infrared (IR) and electrospray ionization mass spectrometry (ESI(+)-MS) of the crude reaction mixture.

Single-walled carbon nanotubes are oxidized in the presence of H2SO4/HNO3 mixtures containing distinct concentrations of the nitronium ion, [NO2+]. The spectroscopic analyses of the final samples suggest a higher structural disorder in the oxidized systems with increasing [NO2+]. This is due to a considerable oxygen amount on the tube surface, reaching up to 30%, depending on the reaction time and [NO2+]. Interestingly, if long reaction time is considered, the oxygen amount on the tube surface is maximum for low [NO2+] and reduces slightly for larger [NO2+]. On the other hand, the oxidation process occurs gradually at 4 h, allowing a fine control of the oxidation process. Therefore, if fine tuning of the oxidation degree is desirable, the reaction must be conducted during short time (4 h) using increasing [NO2+] as those obtained from 2:1, 2.5:1 and 3:1 H2SO4/HNO3 acid mixtures to produce increasing content of functionalization.

Resumo Objetivo O objetivo deste estudo foi avaliar a performance do coagulante cloreto de polialumínio (PAC) na melhoria da qualidade da água de seis lagos rasos eutróficos na região semiárida brasileira. Métodos Nós avaliamos o efeito do PAC na turbidez, substâncias húmicas (UV254) e concentrações de fósforo total e clorofila- a. Resultados Os resultados mostraram que PAC possui uma boa performance em reduzir as concentrações de fósforo total e turbidez, com uma eficiência reduzida em remover clorofila-a e substâncias húmicas, através da sedimentação dos flocos formados. Conclusões A adição de PAC se apresenta como uma potencial estratégia para melhoria da qualidade da água de lagos rasos eutrófico na região semiárida brasileira, porém sua eficiência é dependente do pH e da concent da matéria orgânica particulada e dissolvida na água do reservatório ou lago.

Abstract Aim The aim of this study was to evaluate the performance of the coagulant Polyaluminium chloride (PAC) in water quality improvement of six eutrophic shallow lakes in Brazilian semiarid region. Methods We evaluated the effect of PAC in turbidity, humic substances (UV254), total phosphorus and chlorophyll-a concentration through laboratory jar tests. Results The results showed that PAC had a good performance in reducing total phosphorus concentrations and turbidity, with a reduced efficiency in removing chlorophyll-a and humic substances by sedimentation of flocks formed. Conclusions Addition of PAC is a potential tool for water quality improvement of eutrophic shallow lakes in Brazilian semiarid region but its efficiency depends on the pH and particulate and dissolved organic matter concentration in the lake or reservoir water.

S-states at oxygen evolving complex (OEC) are widely studied due to its large importance in photo-oxidation water process. The structural aspects involving S0, S1, S2, S3 and S4 states are still not solved theoretically. Particularly, spin states have been analyzed as an important aspect in S-state models. Seeking to obtain a relevant and simple model to cover high-spin (HS) S0-S4 states we develop a 55-57 atoms model. Through quantum chemical calculations we figured out that our interatomic distance parameters are in agreement with experimental and other theoretical reference values by ca. 10.0 and 3.5%, respectively, being also in good agreement with other theoretical models containing a large number of atoms. Our HS models presented expected oxidation states according to other data on literature for small theoretical models.

RESUMO Nós descrevemos e comparamos a histologia do fígado e do baço de Geophagus brasiliensis (Perciformes), Hypostomus francisci (Siluriformes) e Hoplias aff. malabaricus (Characiformes), peixes neotropicais de água doce. Em G. brasiliensis e H. aff. malabaricus os hepatócitos organizaram-se na forma tubular enquanto que em H. francisci eles apresentaram-se como cordões celulares. Em todas as espécies, os hepatócitos apresentaram glicogênio, mas em G. brasiliensis e H. aff. malabaricus, eles mostraram forte marcação para hemossiderina no citoplasma. Em G. brasiliensis e H. aff. malabaricus, centros melanomacrofágicos (CMMs) foram associados a estruturas hepáticas e somente em G. brasiliensis foi observado pâncreas exócrino intrahepático. O baço, em todas as espécies, foi caracterizado pela polpa vermelha e branca sem limites entre as duas regiões, mas somente em H. francisci foi registrado uma organização nodular no parênquima esplênico. G. brasiliensiseH. aff. malabaricusapresentaram na polpa branca CMMs associados principalmente a elipsoides. Além disso, nós observamos CMMs grandes no baço em relação ao fígado de G. brasiliensis e de H. aff. malabaricus. No fígado, valores altos de fibras reticulares e colágeno foram observado em G. brasiliensis. No baço, valores altos de fibras reticulares e colágeno foram registrados em H. aff. malabaricuseH. francisci, respectivamente. Diferenças histológicas confirmam a hipótese que a distância filogenética está refletida no fígado e no baço.

ABSTRACT We describe and compare the histology of liver and spleen ofGeophagus brasiliensis (Perciformes), Hypostomus francisci (Siluriformes) and Hoplias aff. malabaricus (Characiformes), tropical freshwater fishes. InG. brasiliensisandH. aff. malabaricusthe hepatocytes were arranged in tubular form whereas in H. franciscithey cord-like. In all species, hepatocytes presented glycogen, but in G. brasiliensis and H. aff. malabaricus they showed strong stained for hemossiderin in the cytoplasm. InG. brasiliensis and H. aff. malabaricus, melanomacrophage centres (MMCs) were associated to hepatic structures and only in G. brasiliensis was observed intrahepatic exocrine pancreas. The spleen, in all species, was characterized by red and white pulp without boundary between the two regions, but only in H. francisci was recorded nodular organization in splenic parenchyma. The G. brasiliensisandH. aff. malabaricuspresented in the white pulp MMCs linked mainly to ellipsoids. Besides, we observed large MMCs in the spleen in relation to liver of G. brasiliensis and H. aff. malabaricus. In liver, highest values of reticular fibers and collagen were observed inG. brasiliensis. In spleen, highest values of reticular fibers and collagen were recorded inH. aff. malabaricusandH. francisci, respectively. Histological differences confirm the hypothesis that the phylogenetic distance is reflected in liver and spleen.

O aumento da entrada de metais pesados nos ambientes aquáticos pode resultar em altos níveis de acumulação destes contaminantes nos peixes e seus consumidores, representando um risco para os ecossistemas e para a saúde humana. Investigamos as concentrações de mercúrio (Hg), cádmio (Cd), zinco (Zn), cromo (Cr) e chumbo (Pb) nos tecidos do músculo, fígado e baço de Pseudoplatystoma corruscans, coletado em dois trechos do rio Paraopeba, Brasil. Nossos resultados mostraram que as concentrações dos metais pesados foram mais elevadas nas vísceras, isto é fígado e baço, indicando que as vísceras deP. corruscans não devem ser utilizadas para consumo humano. As correlações entre as concentrações de metais pesados e o tamanho dos peixes não foram estatisticamente significativas. Embora os níveis de Hg, Cd, Zn, Cr e Pb no músculo geralmente não tenham ultrapassado os limites seguros para o consumo humano, a presença constante desses metais em concentrações próximas a estes limites é motivo de alerta para as populações que consomem regularmente peixes de rios poluídos como o rio Paraopeba. Nossos resultados também indicaram que em uma rede fluvial, onde existam áreas poluídas conectadas a ambientes de boa qualidade, o consumo regular de peixes, mesmo quando estes são capturados em trechos onde os níveis de contaminação forem considerados baixos, pode oferecer risco à saúde, uma vez que muitos peixes de água doce com alto valor comercial como P. corruscans são migradores.

The increasing amounts of heavy metals entering aquatic environments can result in high accumulation levels of these contaminants in fish and their consumers, which pose a serious risk to ecosystems and human health. We investigated the concentrations of mercury (Hg), cadmium (Cd), zinc (Zn), chromium (Cr), and lead (Pb) in muscle, liver, and spleen tissues of Pseudoplatystoma corruscans specimens collected from two sites on the Paraopeba River, Brazil. The level of heavy metals concentrations in the tissues was often higher in viscera (i.e. liver and spleen) than in muscle, and thus, the viscera should not be considered for human consumption. Correlations between metal concentrations and fish size were not significant. Although the levels of muscle bioaccumulation of Hg, Cd, Zn, Cr, and Pb, generally do not exceed the safe levels for human consumption, the constant presence of heavy metals in concentrations near those limits considered safe for human consumption, is a reason for concern, and populations who constantly consume fish from polluted rivers should be warned. Our findings also indicate that in a river network where certain areas are connected to other areas with high rates of environmental pollutants, people should be cautious about the regular consumption of fish, even when the fish consumed are caught in stretches of the basin where contamination levels are considered low, since many of the freshwater fish with high commercial value, such as the catfish surubim, are migratory.

RESUMO Nós determinamos pela primeira vez os parâmetros reprodutivos e a estrutura populacional de Hypostomus francisci no rio Itapecerica, bacia do São Francisco. Um total de 250 espécimes foi capturado trimestralmente entre março de 2010 e fevereiro de 2012. O peso corporal, comprimento total e peso das gônadas foram obtidos em laboratório. Amostras de gônadas foram submetidas à técnicas histológicas e histoquímicas. Fêmeas com ovários capazes de desovar foram utilizadas para determinar a fecundidade e a fecundidade relativa. Observou-se uma proporção sexual de 1:1,01 (Machos:Fêmeas). Os machos foram mais numerosos do que fêmeas na classe de indivíduos menores que 170 mm, no entanto, o número de fêmeas foi significativamente maior para os espécimes acima de 330 mm. A relação peso comprimento estimada para H. francisci indica crescimento alométrico negativo. Fêmeas capazes de desovar foram registradas principalmente em Novembro-Dezembro-Janeiro. Duas populações de ovócitos em um momento determinado do ciclo comprovam desenvolvimento ovocitário do tipo grupo-sincrônico. Os ovos atingiram 3,4 mm e a fecundidade variou de 312-1,460 ovócitos com uma média de 585,81 ± 337,43 ovócitos por fêmea. Os parâmetros reprodutivos e a estrutura populacional de H. francisci do rio Itapecerica sugerem que esta espécie possui táticas reprodutivas singulares entre congêneres.

ABSTRACT Herein we determine for the first time the reproduction parameters and population structure of Hypostomus francisci in the Itapecerica River, São Francisco Basin. A total of 250 specimens was captured quarterly between March 2010 and February 2012. Body weight, total length and weight of the gonads were obtained in the laboratory. Gonad samples were submitted to histological and histochemical techniques. Females with spawning capable ovaries were used to determine the fecundity and relative fecundity. Sex ratio with 1:1.01 (female:male) was observed. Males were more numerous than females for individuals smaller than 170 mm, however the number of females was significantly greater for specimens larger than 330 mm. The length-weight relationship estimated for H. francisci indicates negative-allometric growth. Females spawning capable were observed mostly in November-December-January. Two cohorts of oocytes at a determined time evidencing the development type group-synchronic. The eggs reaching 3.4 mm and the fecundity ranged from 312-1,460 oocytes with an average of 585.81 ± 337.43 oocytes per female. The reproductive parameters and population structure of H. francisci from Itapecerica River suggested that this species showed singular reproductive tactics among congeners.

As pesquisas na área de Química Medicinal têm envolvido diversos aspectos focando o tratamento de doenças tais como câncer, em especial, a combinação de potenciais terapêuticos apresentados por moléculas distintas. Visando isso, realizou-se um estudo computacional combinando a pirazinamida (PZA), um imprescindível tuberculostático com a cisplatina, importante antitumoral, para obter as melhores características de ambas. Foi feita a busca por uma estrutura mais estável para o complexo de estequiometria PZA:platina(II) 2:1 cis-[PtCl2(PZA)2], ou cis-diclorobis(pirazinamido)-platina(II), utilizando para isso a teoria do funcional densidade (DFT) associada ao uso de um planejamento fatorial misto de dois fatores do tipo 5 × 3, para um total de 15 experimentos. Através da avaliação da superfície de resposta e da realização de sete experimentos para validação do modelo, inferiu-se que a estrutura de maior estabilidade refere-se àquela com o diedro 2Cl/1Pt/5O/7C sob um ângulo de 18,9°.

Research in Medicinal Chemistry has involved numerous aspects focusing on the treatment of several kinds of diseases, such as cancer, especially by the combination of therapeutic potentials by using different molecules. With this aim, a computational study combining pyrazinamide (PZA), an indispensable tuberculostatic drug, and cisplatin, an important antitumoral agent, was conducted to combine the best features of both compounds. A search for the most stable structure of the platinum(II)-PZA complex at a 2:1 stoichiometry: diclorodi(pyrazinamido)platinum(II), or cis-[PtCl2(PZA)2], was performed, using functional theory (DFT) associated to a mixed-level factorial design of two factors type 5 × 3, totaling 15 experiments. After evaluating the response surface and following the performance of seven experiments to validate the area identified as optimal, the most stable structure is that in which the dihedral 2Cl/1Pt/5O/7C is at an 18.9° angle.