Cartilage Reconstruction Using Self-anchoring Implant with Functional Gradient

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Dynamics of Dissolved Forms of Carbon and Inorganic Nitrogen in Small Watersheds of the Coastal Atlantic Forest in Southeast Brazil

Based on the fact that streamwater quality reflects landscape conditions, the objectives of this study were: to investigate nitrogen (N), carbon (C), and major ion concentrations in six streams crossing minimally disturbed Atlantic Forest areas, with similar geomorphological characteristics; to determine N and C fluxes in one of these pristine streams (Indaia); and assess the impact of human activity on the biogeochemistry of two other streams in the same region, crossing urbanized areas. The distribution pattern of carbon and inorganic nitrogen dissolved forms, as well as the major ion and biogenic gas concentrations in the streamwater, was similar in pristine streams, indicating that the C and N dynamics were determined by influence of some factors, such as climate, atmospheric deposition, geology, soil type, and land covering, which were analogous in the forested watersheds. The urban streams were significantly different from the pristine streams, showing low dissolved oxygen concentrations, high respiration rates, and high concentrations of carbon dioxide, dissolved inorganic nitrogen, dissolved inorganic carbon, and major ion. These differences were attributed to anthropogenic impact on water quality, especially domestic sewage discharge. Additionally, in the Indaia stream, it was possible to observe the importance of rainfall over temporal dynamics of dissolved carbon forms, and also, the obtained specific flux of dissolved inorganic nitrogen was relatively elevated (approximately 11 kg ha(-1) year(-1)). These results reveal the influence of human activity over the biogeochemistry of coastal streams and also indicate the importance N export of Atlantic Forest to the ocean.

Florística e fitossociologia em parcelas permanentes da Mata Atlântica do sudeste do Brasil ao longo de um gradiente altitudinal

This paper summarizes floristic and phytossociology data of 11, out of 14 plots of 1 ha, allocated along an altitudinal gradient in the Serra do Mar, Silo Paulo, Brazil. The study was conducted at Serra do Mar State Park and the plots start at the sea level (10 m - plot of Restinga Forest that occurs at Praia da Fazenda, Picinguaba, municipality of Ubatuba) up to 1100 m above sea level (the Montane Ombrophilous Dense occurs alongside the Itamambuca Trail, municipality of Silo Luis do Paraitinga). The Restinga Forest occurs in Pleistocenic Coastal Plain where the soil is classified as a sandy Quartzipsamment (Quartzenic Neosol), while along the slopes of the Serra do Mar, the Ombrophylus Dense Forest grows on the top of a pre-Cambrian crystalline basement with granitic rocks, where the soil is a sandy-loam Dystrophic Inceptisol (Cambisol/Latosol). In all 14 plots soils are acidic (pH 3 - 4), chemically poor, with high dilution of nutrients and high saturation of aluminum. In the Restinga and at the foot of the slope the climate is Tropical/Subtropical Humid (Af/Cfa), with no dry season, an average annual rainfall over 2,200 mm and an average annual temperature of 22 degrees C. Towards the top of the Serra do Mar there is a gradual cooling along the slope, but there is no reduction in rainfall, so at 1,100 m above sea level the climate is classified as Humid Subtropical (Cfa/Cfb), with no dry season and an average annual temperature of 17 degrees C. It is important to remark that, almost daily, from 400 m above sea level up to the top of slopes the mountains are covered by a dense fog. In the 14 plots 21,733 individuals with DBH >= 4.8 cm, including trees, palms and ferns, were marked, measured and sampled. The average number of individuals sampled in each plot was 1264 ind.ha(-1)(+/- 218 SE 95%). Within the parameters considered trees prevailed (71% in the Montane ODF to 90% in the Restinga Forest), followed by palms (10% in the RF and 25% in the Montane Ombrophilous Dense Forest/ODF) and ferns (0% % in the RF and 4% in the Montane ODF). Regarding these proportions the Exploited Lowlands ODF differs from the others with only 1.8% of palm trees and striking 10% of ferns. The forest canopy is irregular with heights ranging from 7 to 9 m, rarely emergent trees reach 18 m, and due to this irregularity of the canopy the amount of light that gets through sets conditions for the development of hundreds of epiphytic species. Aside from Montana ODF, where the number of dead trees was more than 5% of individuals sampled, in the other phytophysiognomies this value was below 2.5%. In the 11 plots where the floristic study was conducted we found 562 species in 195 genera and 68 families. Only seven species - Euterpe edulis Mart. (Arecaceae), Calyptranthes lucida Mart. ex DC. and Marlierea tomentosa Cambess (both Myrtaceae), Guapira opposita (Veil.) Reitz (Nyctaginaceae), Cupania oblongifolia Mart. (Sapindaceae), Cecropia glaziovii Snethl. and Coussapoa microcarpa (Schott) Rizzini (both Urticaceae) - occurred from Restinga to Montane ODF, while 12 other species did not occur only in the Restinga Forest. Families with the greatest number of species are Myrtaceae (133 spp), Fabaceae (47 spp), Rubiaceae (49) and Lauraceae (49) throughout the gradient and Monimiaceae (21) specifically in portions Montane ODF. Only in the F plot, where logging has occurred between 1950 and 1985, the abundance of palm trees has been replaced by Cyatheaceae. The study shows a peak of diversity and richness, Shannon-Weiner index (H') ranging from 3.96 to 4.48 nats.ind(-1), in the intermediate altitudes (300 to 400 m) along the slope. Several explanations for this result are raised here, including the fact that these elevations are within the limits expansions and retractions of the different phytophysiognomies of the Atlantic ODF due to climate fluctuations during the Pleistocene. The results presented in this paper demonstrate the extraordinary richness of tree species of the Atlantic Rainforest from the northeastern coast of the State of São Paulo, reinforcing the importance of its conservation throughout the altitudinal gradient. The richness of this forest justifies a long term commitment to study its dynamics and functioning through permanent plots, and monitor the impacts of climate change in this vegetation.

Florística e fitossociologia em parcelas permanentes da Mata Atlântica do sudeste do Brasil ao longo de um gradiente altitudinal

Este trabalho resume os dados de florística e fitossociologia de 11, das 14 parcelas de 1 ha, alocadas ao longo do gradiente altitudinal da Serra do Mar, São Paulo, Brasil. As parcelas começam na cota 10 m (Floresta de Restinga da Praia da Fazenda, município de Ubatuba) e estão distribuídas até a cota 1100 m (Floresta Ombrófila Densa Montana da Trilha do rio Itamambuca, município de São Luis do Paraitinga) abrangendo os Núcleos Picinguaba e Santa Virgínia do Parque Estadual da Serra do Mar. Na Restinga o solo é Neossolo Quartzarênico francamente arenoso, enquanto que na encosta o solo é um Cambisolo Háplico Distrófico argilo-arenoso, sendo que todas as parcelas apresentaram solo ácido (pH 3 – 4) com alta diluição de nutrientes e alta saturação de alumínio. Na Restinga e no sopé da encosta o clima é Tropical/Subtropical Úmido (Af/Cfa), sem estação seca, com precipitação média anual superior a 2.200 mm e temperatura média anual de 22 °C. Subindo a encosta mantêm-se a média de precipitação, mas há um gradativo resfriamento, de forma que a 1.100 m o clima é Subtropical Úmido (Cfa/Cfb), sem estação seca, com temperatura média anual de 17 °C. Destaca-se ainda que, quase diariamente, a parte superior da encosta, geralmente acima de 400 m, é coberta por uma densa neblina. Nas 14 parcelas foram marcados, medidos e amostrados 21.733 indivíduos com DAP ≥ 4,8 cm, incluindo árvores, palmeiras e fetos arborescentes. O número médio de indivíduos amostrados nas 14 parcelas foi de 1.264 ind.ha–1 (± 218 EP de 95%). Dentro dos parâmetros considerados predominaram as árvores (71% FOD Montana a 90% na Restinga), seguidas de palmeiras (10% na Restinga a 25% na FOD Montana) e fetos arborescentes (0% na Restinga a 4% na FOD Montana). Neste aspecto destaca-se a FOD Terras Baixas Exploradas com apenas 1,8% de palmeiras e surpreendentes 10% de fetos arborescentes. O dossel é irregular, com altura variando de 7 a 9 m, raramente as árvores emergentes chegam a 18 m, e a irregularidade do dossel permite a entrada de luz suficiente para o desenvolvimento de centenas de espécies epífitas. Com exceção da FOD Montana, onde o número de mortos foi superior a 5% dos indivíduos amostrados, nas demais fitofisionomias este valor ficou abaixo de 2,5%. Nas 11 parcelas onde foi realizado o estudo florístico foram encontradas 562 espécies distribuídas em 195 gêneros e 68 famílias. Apenas sete espécies – Euterpe edulis Mart. (Arecaceae), Calyptranthes lucida Mart. ex DC. e Marlierea tomentosa Cambess (ambas Myrtaceae), Guapira opposita (Vell.) Reitz (Nyctaginaceae), Cupania oblongifolia Mart. (Sapindaceae) e as Urticaceae Cecropia glaziovii Snethl. e Coussapoa microcarpa (Schott) Rizzini – ocorreram da Floresta de Restinga à FOD Montana, enquanto outras 12 espécies só não ocorreram na Floresta de Restinga. As famílias com o maior número de espécies são Myrtaceae (133 spp), Fabaceae (47 spp), 125 Fitossociologia em parcelas permanentes de Mata Atlântica http://www.biotaneotropica.org.br/v12n1/pt/abstract?article+bn01812012012 http://www.biotaneotropica.org.br Biota Neotrop., vol. 12, no. 1 Introdução A Mata Atlântica sensu lato (Joly et al. 1999) é a segunda maior floresta tropical do continente americano (Tabarelli et al. 2005). A maior parte dos Sistemas de Classificação da vegetação brasileira reconhece que no Domínio Atlântico (sensu Ab’Saber 1977) esse bioma pode ser dividido em dois grandes grupos: a Floresta Ombrófila Densa, típica da região costeira e das escarpas serranas com alta pluviosidade (Mata Atlântica – MA – sensu stricto), e a Floresta Estacional Semidecidual, que ocorre no interior, onde a pluviosidade, além de menor, é sazonal. Na região costeira podem ocorrer também Manguezais (Schaeffer-Novelli 2000), ao longo da foz de rios de médio e grande porte, e as Restingas (Scarano 2009), crescendo sobre a planície costeira do quaternário. No topo das montanhas, geralmente acima de 1500 m, estão os Campos de Altitude (Ribeiro & Freitas 2010). Em 2002, a Fundação SOS Mata Atlântica em parceria com o INPE (Instituto..., 2002) realizaram um levantamento que indica que há apenas 7,6% da cobertura original da Mata Atlântica (s.l.). Mais recentemente Ribeiro et al. (2009) refinaram a estimativa incluindo fragmentos menores, que não haviam sido contabilizados, e concluíram que resta algo entre 11,4 e 16% da área original. Mesmo com esta fragmentação, o mosaico da Floresta Atlântica brasileira possui um dos maiores níveis de endemismos do mundo (Myers et al. 2000) e cerca da metade desses remanescentes de grande extensão estão protegidos na forma de Unidades de Conservação (Galindo & Câmara 2005). Entre os dois centros de endemismo reconhecidos para a MA (Fiaschi & Pirani 2009), o bloco das regiões sudeste/sul é o que conserva elementos da porção sul de Gondwana (Sanmartin & Ronquist 2004), tido como a formação florestal mais antiga do Brasil (Colombo & Joly 2010). Segundo Hirota (2003), parte dos remanescentes de MA está no estado de São Paulo, onde cerca de 80% de sua área era coberta por florestas (Victor 1977) genericamente enquadradas como Mata Atlântica “sensu lato” (Joly et al. 1999). Dados de Kronka et al. (2005) mostram que no estado restam apenas 12% de área de mata e menos do que 5% são efetivamente florestas nativas pouco antropizadas. Nos 500 anos de fragmentação e degradação das formações naturais, foram poupadas apenas as regiões serranas, principalmente a fachada da Serra do Mar, por serem impróprias para práticas agrícolas. Usando o sistema fisionômico-ecológico de classificação da vegetação brasileira adotado pelo IBGE (Veloso et al. 1991), a Floresta Ombrófila Densa, na área de domínio da Mata Atlântica, foi subdividida em quatro faciações ordenadas segundo a hierarquia topográfica, que refletem fisionomias de acordo com as variações das faixas altimétricas e latitudinais. No estado de São Paulo, na latitude entre 16 e 24 °S temos: 1) Floresta Ombrófila Densa das Terras Baixas - 5 a 50 m de altitude; 2) Floresta Ombrófila Densa Submontana – no sopé da Serra do Mar, com cotas de altitude variando entre 50 e 500 m; 3) Floresta Ombrófila Densa Montana – recobrindo a encosta da Serra do Mar propriamente dita, em altitudes que variam de 500 a 1.200 m; 4) Floresta Ombrófila Densa Altimontana – ocorrendo no topo da Serra do Mar, acima dos limites estabelecidos para a formação montana, onde a vegetação praticamente deixa de ser arbórea, pois predominam os campos de altitude. Nas últimas três décadas muita informação vem sendo acumulada sobre a composição florística e a estrutura do estrato arbóreo dos remanescentes florestais do estado, conforme mostram as revisões de Oliveira-Filho & Fontes (2000) e Scudeller et al. (2001). Em florestas tropicais este tipo de informação, assim como dados sobre a riqueza de espécies, reflete não só fatores evolutivos e biogeográficos, como também o histórico de perturbação, natural ou antrópica, das respectivas áreas (Gentry 1992, Hubbell & Foster 1986). A síntese dessas informações tem permitido a definição de unidades fitogeográficas com diferentes padrões de riqueza de espécies e apontam para uma diferenciação, entre as florestas paulistas, no sentido leste/oeste (Salis et al. 1995, Torres et al. 1997, Santos et al. 1998). Segundo Bakker et al. (1996) um método adequado para acompanhar e avaliar as mudanças na composição das espécies e dinâmica da floresta ao longo do tempo é por meio de parcelas permanentes (em inglês Permanent Sample Plots –PSPs). Essa metodologia tem sido amplamente utilizada em estudos de longa duração em florestas tropicais, pois permite avaliar a composição e a estrutura florestal e monitorar sua mudança no tempo (Dallmeier 1992, Condit 1995, Sheil 1995, Malhi et al. 2002, Lewis et al. 2004). Permite avaliar também as consequências para a floresta de problemas como o aquecimento global e a poluição atmosférica (Bakker et al. 1996). No Brasil os projetos/programas que utilizam a metodologia de Parcelas Permanentes tiveram origem, praticamente, com o Projeto Rubiaceae (49) e Lauraceae (49) ao longo de todo gradiente da FOD e Monimiaceae (21) especificamente nas parcelas da FOD Montana. Em termos de número de indivíduos as famílias mais importantes foram Arecaceae, Rubiaceae, Myrtaceae, Sapotaceae, Lauraceae e na FOD Montana, Monimiaceae. Somente na parcela F, onde ocorreu exploração de madeira entre 1960 e 1985, a abundância de palmeiras foi substituída pelas Cyatheaceae. O gradiente estudado apresenta um pico da diversidade e riqueza nas altitudes intermediárias (300 a 400 m) ao longo da encosta (índice de Shannon-Weiner - H’ - variando de 3,96 a 4,48 nats.indivíduo–1). Diversas explicações para este resultado são apresentadas neste trabalho, incluindo o fato dessas altitudes estarem nos limites das expansões e retrações das diferentes fitofisionomias da FOD Atlântica durante as flutuações climáticas do Pleistoceno. Os dados aqui apresentados demonstram a extraordinária riqueza de espécies arbóreas da Floresta Ombrófila Densa Atlântica dos Núcleos Picinguaba e Santa Virgínia do Parque Estadual da Serra do Mar, reforçando a importância de sua conservação ao longo de todo o gradiente altitudinal. A diversidade desta floresta justifica também o investimento de longo prazo, através de parcelas permanentes, para compreender sua dinâmica e funcionamento, bem como monitorar o impacto das mudanças climáticas nessa vegetação.

Height-diameter relationships of tropical Atlantic moist forest trees in southeastern Brazil

Site-specific height-diameter models may be used to improve biomass estimates for forest inventories where only diameter at breast height (DBH) measurements are available. In this study, we fit height-diameter models for vegetation types of a tropical Atlantic forest using field measurements of height across plots along an altitudinal gradient. To fit height-diameter models, we sampled trees by DBH class and measured tree height within 13 one-hectare permanent plots established at four altitude classes. To select the best model we tested the performance of 11 height-diameter models using the Akaike Information Criterion (AIC). The Weibull and Chapman-Richards height-diameter models performed better than other models, and regional site-specific models performed better than the general model. In addition, there is a slight variation of height-diameter relationships across the altitudinal gradient and an extensive difference in the stature between the Atlantic and Amazon forests. The results showed the effect of altitude on tree height estimates and emphasize the need for altitude-specific models that produce more accurate results than a general model that encompasses all altitudes. To improve biomass estimation, the development of regional height-diameter models that estimate tree height using a subset of randomly sampled trees presents an approach to supplement surveys where only diameter has been measured.

Relative influence of gaze and static arm position in the Superior Parietal Lobule of the macaque monkey during reaching

The superior parietal lobule (SPL) of macaques is classically described as an associative cortex implicated in visuospatial perception, planning and control of reaching and grasping movements (De Vitis et al., 2019; Galletti et al., 2003, 2018, 2022; Fattori et al., 2017; Hadjidimitrakis et al., 2015). These processes are the result of the integration of signals related to different sensory modalities. During a goal-directed action, eye and limb information are combined to ensure that the hand is transported at the gazed target location and the arm is maintained steady in the final position. The SPL areas V6A, PEc and PE contain cells sensitive to the direction of gaze and limb position but less is known about the degree of independent encoding of these signals. In this thesis, we evaluated the influence of eye and arm position information upon single neuron activity of areas V6A, PEc and PE during the holding period after the execution of arm reaching movement, when the gaze and hand are both still at the reach target. Two male macaques (Macaca fascicularis) performed a reaching task while single unit activity was recorded from areas V6A, PEc and PE. We found that neurons in all these areas were modulated by eye and static arm positions with a joint encoding of gaze and somatosensory signals in V6A and PEc and a mostly separate processing of the two signals in PE. The elaboration of this information reflects the functional gradient found in the SPL with the caudal sector characterized by visuo-somatic properties in comparison to the rostral sector dominated by somatosensory signals. This evidence well agree also with the recent reallocation of areas V6A and PEc in Brodmann’s area 7 depending on their similar structural and functional features with respect to PE belonging to Brodmann’s area 5 (Gamberini et al., 2020).

Bacterial functional redundancy along a soil reclamation gradient

A strategy to measure bacterial functional redundancy was developed and tested with soils collected along a soil reclamation gradient by determining the richness and diversity of bacterial groups capable of in situ growth on selected carbon substrates. Soil cores were collected from four sites along a transect from the Jamari tin mine site in the Jamari National Forest, Rondonia, RO, Brazil: denuded mine spoil, soil from below the canopy of invading pioneer trees, revegetated soil under new growth on the forest edge, and the forest floor of an adjacent preserved forest. Bacterial population responses were analyzed by amending these soil samples with individual carbon substrates in the presence of bromodeoxyuridine (BrdU), BrdU-labeled DNA was then subjected to a 16S-23S rRNA intergenic analysis to depict the actively growing bacteria from each site, the number and diversity of bacterial groups responding to four carbon substrates (L-serine, L-threonine, sodium citrate, and or-lactose hydrate) increased along the reclamation-vegetation gradient such that the preserved forest soil samples contained the highest functional redundancy for each substrate. These data suggest that bacterial functional redundancy increases in relation to the regrowth of plant communities and may therefore represent an important aspect of the restoration of soil biological functionality to reclaimed mine spoils. They also suggest that bacterial functional redundancy may be a useful indicator of soil quality and ecosystem functioning.

Analysis of fish assemblages in sectors along a salinity gradient based on species, families and functional groups

Neste trabalho foi testado o efeito do gradiente de salinidade do eixo-leste oeste do sistema subtropical Complexo Estuarino da Baía de Paranaguá na estrutura dos peixes de águas rasas, determinado de acordo com as métricas taxonômica (famílias e espécies) e de composição funcional. Um total de 152 espécies foi registrado. As famílias com maior número de espécies foram Sciaenidae, Carangidae, Haemulidae e Gobiidae. As espécies mais abundantes foram A. brasiliensis, H. clupeola, A. januaria e A. tricolor. Os visitantes marinhos dominaram em número de espécies, seguidos pelos migrantes marinhos e estuarinos. A maioria das espécies são zoobentívoras, seguidas pelas piscívoras e zooplanctívoras. As famílias e espécies mais relacionadas com condições estuarinas dominaram no setor mesohalino e aquelas mais relacionadas com condições marinhas dominaram no setor euhalino. A métrica taxonômica foi mais eficiente na caracterização das assembleias de peixes ao longo do gradiente estuarino de salinidade do que a funcional. Isso ocorreu principalmente porque indivíduos de todos os grupos funcionais estiveram presentes ao longo de todos os setores de salinidade, invalidando o emprego dessa métrica na diferenciação das assembleias nos diversos setores. Nosso resultado foi diferente do encontrado em outros estuários tropicais e subtropicais, que enfatizaram a importância dos grupos funcionais na estruturação das assembleias de peixes ao longo de um gradiente de salinidade.

Leaf Functional Traits and Forest Structure of Tropical Dry Forest Species Along a Rainfall Gradient in Florida and Puerto Rico

This study examined how different rainfall regimes affect a set of leaf functional traits related to plant stress and forest structure in tropical dry forest (TDF) species on limestone substrate. One hundred fifty eight individuals of four tree species were sampled in six ecological sites in south Florida and Puerto Rico, ranging in mean annual rainfall from 858 to 1933 mm yr-1. Leaf nitrogen content, specific leaf area (SLA), and N:P ratio of evergreen species, but not deciduous species, responded positively to increasing rainfall. Phosphorus content was unaffected in both groups. Canopy height and basal area reached maxima of 10.3 m and 31.4 m2 ha-1, respectively, at 1168 mm annual rainfall. Leaf traits reflected soil properties only to a small extent. This led us to the conclusion that water is a major limiting factor in TDF and some species that comprise TDF ecosystems are limited by nitrogen in limestone sites with less than ~1012 mm rainfall, but organismal, biological and/or abiotic forces other than rainfall control forest structure in moister sites.

Systematic investigation of a family of gradient-dependent functionals for solids

Eleven density functionals are compared with regard to their performance for the lattice constants of solids. We consider standard functionals, such as the local-density approximation and the Perdew-Burke-Ernzerhof (PBE) generalized-gradient approximation (GGA), as well as variations of PBE GGA, such as PBEsol and similar functionals, PBE-type functionals employing a tighter Lieb-Oxford bound, and combinations thereof. On a test set of 60 solids, we perform a system-by-system analysis for selected functionals and a full statistical analysis for all of them. The impact of restoring the gradient expansion and of tightening the Lieb-Oxford bound is discussed, and confronted with previous results obtained from other codes, functionals or test sets. No functional is uniformly good for all investigated systems, but surprisingly, and pleasingly, the simplest possible modifications to PBE turn out to have the most beneficial effect on its performance. The atomization energy of molecules was also considered and on a testing set of six molecules, we found that the PBE functional is clearly the best, the others leading to strong overbinding.

Gradient-dependent density functionals of the Perdew-Burke-Ernzerhof type for atoms, molecules, and solids

One of the standard generalized-gradient approximations (GGAs) in use in modern electronic-structure theory [Perdew-Burke-Ernzerhof (PBE) GGA] and a recently proposed modification designed specifically for solids (PBEsol) are identified as particular members of a family of functionals taking their parameters from different properties of homogeneous or inhomogeneous electron liquids. Three further members of this family are constructed and tested, together with the original PBE and PBEsol, for atoms, molecules, and solids. We find that PBE, in spite of its popularity in solid-state physics and quantum chemistry, is not always the best performing member of the family and that PBEsol, in spite of having been constructed specifically for solids, is not the best for solids. The performance of GGAs for finite systems is found to sensitively depend on the choice of constraints stemming from infinite systems. Guidelines both for users and for developers of density functionals emerge from this work.

Nonempirical hyper-generalized-gradient functionals constructed from the Lieb-Oxford bound

A simple and completely general representation of the exact exchange-correlation functional of density-functional theory is derived from the universal Lieb-Oxford bound, which holds for any Coulomb-interacting system. This representation leads to an alternative point of view on popular hybrid functionals, providing a rationale for why they work and how they can be constructed. A similar representation of the exact correlation functional allows to construct fully nonempirical hyper-generalized-gradient approximations (HGGAs), radically departing from established paradigms of functional construction. Numerical tests of these HGGAs for atomic and molecular correlation energies and molecular atomization energies show that even simple HGGAs match or outperform state-of-the-art correlation functionals currently used in solid-state physics and quantum chemistry.

Density functional theory investigation of 3d, 4d, and 5d 13-atom metal clusters

The knowledge of the atomic structure of clusters composed by few atoms is a basic prerequisite to obtain insights into the mechanisms that determine their chemical and physical properties as a function of diameter, shape, surface termination, as well as to understand the mechanism of bulk formation. Due to the wide use of metal systems in our modern life, the accurate determination of the properties of 3d, 4d, and 5d metal clusters poses a huge problem for nanoscience. In this work, we report a density functional theory study of the atomic structure, binding energies, effective coordination numbers, average bond lengths, and magnetic properties of the 3d, 4d, and 5d metal (30 elements) clusters containing 13 atoms, M(13). First, a set of lowest-energy local minimum structures (as supported by vibrational analysis) were obtained by combining high-temperature first- principles molecular-dynamics simulation, structure crossover, and the selection of five well-known M(13) structures. Several new lower energy configurations were identified, e. g., Pd(13), W(13), Pt(13), etc., and previous known structures were confirmed by our calculations. Furthermore, the following trends were identified: (i) compact icosahedral-like forms at the beginning of each metal series, more opened structures such as hexagonal bilayerlike and double simple-cubic layers at the middle of each metal series, and structures with an increasing effective coordination number occur for large d states occupation. (ii) For Au(13), we found that spin-orbit coupling favors the three-dimensional (3D) structures, i.e., a 3D structure is about 0.10 eV lower in energy than the lowest energy known two-dimensional configuration. (iii) The magnetic exchange interactions play an important role for particular systems such as Fe, Cr, and Mn. (iv) The analysis of the binding energy and average bond lengths show a paraboliclike shape as a function of the occupation of the d states and hence, most of the properties can be explained by the chemistry picture of occupation of the bonding and antibonding states.

Abundance of sedentary consumers and sessile organisms along the wave exposure gradient of subtropical rocky shores of the south-west Atlantic

Sedentary consumers play an important role on populations of prey and, hence, their patterns of abundance, distribution and coexistence on shores are important to evaluate their potential influence on ecosystem dynamics. Here, we aimed to describe their spatio-temporal distribution and abundance in relation to wave exposure in the intertidal rocky shores of the south-west Atlantic to provide a basis for further understanding of ecological processes in this system. The abundance and composition of the functional groups of sessile organisms and sedentary consumers were taken by sampling the intertidal of sheltered and moderately exposed shores during a period of one year. The sublittoral fringe of sheltered areas was dominated by macroalgae, while the low midlittoral was dominated by bare rock and barnacles. In contrast, filter-feeding animals prevailed at exposed shores, probably explaining the higher abundance of the predator Stramonita haemastoma at these locations. Limpets were more abundant at the midlittoral zone of all shores while sea urchins were exclusively found at the sublittoral fringe of moderately exposed shores, therefore, adding grazing pressure on these areas. The results showed patterns of coexistence, distribution and abundance of those organisms in this subtropical area, presumably as a result of wave action, competition and prey availability. It also brought insights on the influence of top-down and bottom-up processes in this area.