I. Site effects and exciton structure in molecular crystals - Benzene. II. The first and second triplet states of solid benzene

The effect of intermolecular coupling in molecular energy levels (electronic and vibrational) has been investigated in neat and isotopic mixed crystals of benzene. In the isotopic mixed crystals of C₆H₆, C₆H₅D, m-C₆H₄D₂, p-C₆H₄D₂, sym-C₆H₃D₃, C₆D₅H, and C₆D₆ in either a C₆H₆ or C₆D₆ host, the following phenomena have been observed and interpreted in terms of a refined Frenkel exciton theory: a) Site shifts; b) site group splittings of the degenerate ground state vibrations of C₆H₆, C₆D₆, and sym-C₆H₃D₃; c) the orientational effect for the isotopes without a trigonal axis in both the ¹B_2u electronic state and the ground state vibrations; d) intrasite Fermi resonance between molecular fundamentals due to the reduced symmetry of the crystal site; and e) intermolecular or intersite Fermi resonance between nearly degenerate states of the host and guest molecules. In the neat crystal experiments on the ground state vibrations it was possible to observe many of these phenomena in conjunction with and in addition to the exciton structure.

To theoretically interpret these diverse experimental data, the concepts of interchange symmetry, the ideal mixed crystal, and site wave functions have been developed and are presented in detail. In the interpretation of the exciton data the relative signs of the intermolecular coupling constants have been emphasized, and in the limit of the ideal mixed crystal a technique is discussed for locating the exciton band center or unobserved exciton components. A differentiation between static and dynamic interactions is made in the Frenkel limit which enables the concepts of site effects and exciton coupling to be sharpened. It is thus possible to treat the crystal induced effects in such a fashion as to make their similarities and differences quite apparent.

A calculation of the ground state vibrational phenomena (site shifts and splittings, orientational effects, and exciton structure) and of the crystal lattice modes has been carried out for these systems. This calculation serves as a test of the approximations of first order Frenkel theory and the atom-atom, pair wise interaction model for the intermolecular potentials. The general form of the potential employed was V(r) = Be^-Cr - A/r⁶ ; the force constants were obtained from the potential by assuming the atoms were undergoing simple harmonic motion.

In part II the location and identification of the benzene first and second triplet states (³B_1u and ³E_1u) is given.

The connection between single species and ecosystems

Ecosystem level models are motivated by some combination of scientific and practical concerns. Those models motivated by practical concerns are likely to bear little historical relation to previous models. Mechanisms of interaction between particular species and their ecosystems vary enormously. Some species literally construct their own ecosystems. Others have more or less complex and important interactions with other species so that their presence or absence may alter the ecosystem. Prior information about the natural history of particular species can make ecosystem investigations quicker, cheaper, and more effective. The optimal resource for preparing to deal with the unlimited diversity of questions asked of ecologists would be a large' computerized databank of natural history observations for as many species as possible.

Uptake and intracytoplasmic storage of pigmented particles by human CD34+stromal cells/telocytes: endocytic property of telocytes

We studied the phagocytic-like capacity of human CD34+ stromal cells/telocytes (TCs). For this, we examined segments of the colon after injection of India ink to help surgeons localize lesions identified at endoscopy. Our results demonstrate that CD34+ TCs have endocytic properties (phagocytic-like TCs: phTCs), with the capacity to uptake and store India ink particles. phTCs conserve the characteristics of TCs (long, thin, bipolar or multipolar, moniliform cytoplasmic processes/telopodes, with linear distribution of the pigment) and maintain their typical distribution. Likewise, they are easily distinguished from pigment-loaded macrophages (CD68+ macrophages, with oval morphology and coarse granules of pigment clustered in their cytoplasm). A few c-kit/CD117+ interstitial cells of Cajal also incorporate pigment and may conserve the phagocytic-like property of their probable TC precursors. CD34+ stromal cells in other locations (skin and periodontal tissues) also have the phagocytic-like capacity to uptake and store pigments (hemosiderin, some components of dental amalgam and melanin). This suggests a function of TCs in general, which may be related to the transfer of macromolecules in these cells. Our ultrastructural observation of melanin-storing stromal cells with characteristics of TCs (telopodes with dichotomous branching pattern) favours this possibility. In conclusion, intestinal TCs have a phagocytic-like property, a function that may be generalized to TCs in other locations. This function (the ability to internalize small particles), together with the capacity of these cells to release extracellular vesicles with macromolecules, could close the cellular bidirectional cooperative circle of informative exchange and intercellular interactions.

Quantum ricochets: surface capture, release and energy loss of fast ions hitting a polar surface at grazing incidence

A diffraction mechanism is proposed for the capture, multiple bouncing and final escape of a fast ion (keV) impinging on the surface of a polarizable material at grazing incidence. Capture and escape are effected by elastic quantum diffraction consisting of the exchange of a parallel surface wave vector G= 2p/ a between the ion parallel momentum and the surface periodic potential of period a. Diffraction- assisted capture becomes possible for glancing angles F smaller than a critical value given by Fc 2- 2./ a-| Vim|/ E, where E is the kinetic energy of the ion,. = h/ Mv its de Broglie wavelength and Vim its average electronic image potential at the distance from the surface where diffraction takes place. For F< Fc, the ion can fall into a selected capture state in the quasi- continuous spectrum of its image potential and execute one or several ricochets before being released by the time reversed diffraction process. The capture, ricochet and escape are accompanied by a large, periodic energy loss of several tens of eV in the forward motion caused by the coherent emission of a giant number of quanta h. of Fuchs- Kliewer surface phonons characteristic of the polar material. An analytical calculation of the energy loss spectrum, based on the proposed diffraction process and using a model ion-phonon coupling developed earlier (Lucas et al 2013 J. Phys.: Condens. Matter 25 355009), is presented, which fully explains the experimental spectrum of Villette et al (2000 Phys. Rev. Lett. 85 3137) for Ne+ ions ricocheting on a LiF(001) surface.

Natural mortality rate, annual fecundity, and maturity at length for Greenland halibut (Reinhardtius hippoglossoides) from the northeastern Pacific Ocean

Mortality, fecundity, and size at maturity are important life history traits, and their interactions determine the evolution of life history strategies (Roff, 1992; Stearns, 1992; Charnov, 2002). These same traits are also important for population dynamics models (Hunter et al., 1992; Clark, 1999). It is increasingly important to accurately determine Greenland halibut (Reinhardtius hippoglossoides) life history traits and to correctly assess the status of its stocks because low recruitment or low biomass estimates have led to catch restrictions in the Bering Sea and Aleutian Islands (Ianelli et al.1), the Northeastern Arctic (Ådlandsvik et al., 2004), and the Northwest Atlantic (Bowering and Nedreaas, 2000).

A gramática da quietude: um estudo sobre hábito e confiança na formação da identidade

Esse trabalho tem por objetivo investigar o papel do hábito e da confiança na formação da identidade. Ainda que inspirada em estudos que revelam a centralidade da confiança para a constituição das sociedades e examinam sua condição no contexto sócio-cultural contemporâneo, a discussão focaliza essencialmente o domínio do desenvolvimento infantil. Constatando o destaque conferido à confiança pela escola psicanalítica das relações de objeto, a análise do conceito incide prioritariamente na obra de D. W. Winnicott. Partindo do pressuposto que a confiança ocupa um lugar central na metapsicologia do autor, que contrasta com a limitada conceituação teórica que cerca seus diferentes significados e funções, propõe-se estudá-la em dois tempos: os da gênese e da reprodução da confiança. O estudo do conceito de hábito constitui uma etapa prévia e associada ao exame da confiança. Permitindo relevar os aportes corporais e a importância das interações regulares e previsíveis com o ambiente para a gênese da confiança, o hábito é investigado a partir de autores da filosofia e da sociologia. Ressaltam-se os pressupostos comuns e os elementos de convergência entre diferentes teorias do hábito cujas descrições enfatizam sua base corpórea e contornam discussões tradicionais que reduzem sua definição às idéias de repetição e automatismo. Associando-se ao estabelecimento de um contexto seguro pela antecipação das conseqüências da ação, o hábito contribui para a adaptação flexível ao meio e se apresenta como o fundamento inicial da construção da confiança. Em seguida, a investigação se orienta para os mecanismos de reprodução e do exercício da confiança. Submetida às novas configurações funcionais do ambiente que acompanham o desenvolvimento da criança . a redução da segurança, o aumento da autonomia e a liberdade para correr riscos ., a reprodução da confiança reflete a incidência das ações agressivo-criativas no espaço transicional. Além da referência a psicanalistas que partilham os pressupostos centrais da teoria de Winnicott, a análise da confiança é enriquecida a partir das contribuições da psicologia do desenvolvimento atual. O trabalho explora ainda três conquistas no desenvolvimento descritas por Winnicott como relacionadas à confiança: estar só, não-integrar-se e a capacidade de doar.

PGPRs and nitrogen-fixing legumes: a perfect team for efficient Cd phytoremediation?

Cadmium (Cd) is a toxic, biologically non-essential and highly mobile metal that has become an increasingly important environmental hazard to both wildlife and humans. In contrast to conventional remediation technologies, phytoremediation based on legume rhizobia symbiosis has emerged as an inexpensive decontamination alternative which also revitalize contaminated soils due to the role of legumes in nitrogen cycling. In recent years, there is a growing interest in understanding symbiotic legume rhizobia relationship and its interactions with Cd. The aim of the present review is to provide a comprehensive picture of the main effects of Cd in N-2-fixing leguminous plants and the benefits of exploiting this symbiosis together with plant growth promoting rhizobacteria to boost an efficient reclamation of Cd-contaminated soils.

A Brief Interpretation of Summer Flounder, Paralichthys dentatus, Movements and Stock Structure with New Tagging Data on Juveniles

Summer flounder, Paralichthys dentatus, are managed as a single stock along the Atlantic coast from the U.S.– Canada border to the southern border of North Carolina. Justification of the single-stock approach is based on lack of genetic evidence for multiple stocks and the difficulty presented by managing the species from Cape Hatteras to the U.S.–Canada border. In this review, we present an interpretation of various morphometric, meristic, biochemical, and tagging studies, published and unpublished, that indicate the presence of two, or possibly three, distinct stocks in the management area. In addition, we have included new data from a tagging study that was conducted on juveniles from Virginia that aids in defining the stock(s) north of Cape Hatteras. Summer flounder, overfished for the past two decades, is recovering, and reconsideration of proposed stock structure could have direct implications for management policy decisions.

Holistic fisheries management: combining macroecology, ecology, and evolutionary biology

Ecosystem-based management is one of many indispensable components of objective, holistic management of human impacts on nonhuman systems. By itself, however, ecosystem-based management carries the same risks we face with other forms of current management; holism requires more. Combining single-species and ecosystem approaches represents progress. However, it is now recognized that management also needs to be evosystem-based. In other words, management needs to account for all coevolutionary and evolutionary interactions among all species; otherwise we fall far short of holism. Fully holistic practices are quite distinct from the approaches to the management of fisheries that are applied today. In this paper, we show how macroecological patterns can guide management consistently, objectively, and holistically. We present one particular macroecological pattern with two applications. The first application is a case study of fisheries from the Baltic Sea involving historical data for two species; the second involves a sample of 44 species of primarily marine fish worldwide. In both cases we evaluate historical fishing rates and determine holistic/systemic sustainable single-species fishing rates to illustrate that conventional fisheries management leads to much more extensive and pervasive overfishing than currently realized; harvests are, on average, over twenty-fold too large to be fully sustainable. In general, our approach involves not only the sustainability of fisheries and related resources but also the sustainability of the ecosystems and evosystems in which they occur. Using macroecological patterns accomplishes four important goals: 1) Macroecology becomes one of the interdisciplinary components of management. 2) Sustainability becomes an option for harvests from populations of individual species, species groups, ecosystems, and the entire marine environment. 3) Policies and goals are reality-based, holistic, or fully systemic; they account for ecological as well as evolutionary factors and dynamics (including management itself). 4) Numerous management questions can be addressed.

The design, construction, operation, and maintenance of the Replicated Modular Estuarine Mesocosm

Perhaps the most difficult job of the ecotoxicologist is extrapolating data calculated from laboratory experiments with high precision and accuracy into the real world of highly-dynamics aquatic environments. The establishment of baseline laboratory toxicity testing data for individual compounds and ecologically important and field studies serve as a precursor to ecosystem level studies needed for ecological risk assessment. The first stage in the field portion of risk assessment is the determination of actual environmental concentrations of the contaminant being studied and matching those concentrations with laboratory toxicity tests. Risk estimates can be produced via risk quotients that would determine the probability that adverse effects may occur. In this first stage of risk assessment, environmental realism is often not achieved. This is due, in part, to the fact that single-species laboratory toxicity tests, while highly controlled, do not account for the complex interactions (Chemical, physical, and biological) that take place in the natural environment. By controlling as many variables in the laboratory as possible, an experiment can be produced in such a fashion that real effects from a compound can be determined for a particular test organism. This type of approach obviously makes comparison with real world data most difficult. Conversely, field oriented studies fall short in the interpretation of ecological risk assessment because of low statistical power, lack of adequate replicaiton, and the enormous amount of time and money needed to perform such studies. Unlike a controlled laboratory bioassay, many other stressors other than the chemical compound in question affect organisms in the environment. These stressors range from natural occurrences (such as changes in temperature, salinity, and community interactions) to other confounding anthropogenic inputs. Therefore, an improved aquatic toxicity test that will enhance environmental realism and increase the accuracy of future ecotoxicological risk assessments is needed.

Fish movement patterns in Virgin Islands National Park, Virgin Islands Coral Reef National Monument and adjacent waters

NOAA’s National Centers for Coastal Ocean Science (NCCOS)-Center for Coastal Monitoring and Assessment’s (CCMA) Biogeography Branch, National Park Service (NPS), US Geological Survey, and the University of Hawaii used acoustic telemetry to quantify spatial patterns and habitat affinities of reef fishes around the island of St. John, US Virgin Islands. The objective of the study was to define the movements of reef fishes among habitats within and between the Virgin Islands Coral Reef National Monument (VICRNM), the Virgin Islands National Park (VIIS), and Territorial waters surrounding St. John. In order to better understand species’ habitat utilization patterns among management regimes, we deployed an array of hydroacoustic receivers and acoustically tagged reef fishes. Thirty six receivers were deployed in shallow near-shore bays and across the shelf to depths of approximately 30 m. One hundred eighty four individual fishes were tagged representing 19 species from 10 different families with VEMCO V9-2L-R64K transmitters. The array provides fish movement information at fine (e.g., day-night and 100s meters within a bay) to broad spatial and temporal scales (multiple years and 1000s meters across the shelf). The long term multi-year tracking project provides direct evidence of connectivity across habitat types in the seascape and among management units. An important finding for management was that a number of individuals moved among management units (VICRNM, VINP, Territorial waters) and several snapper moved from near-shore protected areas to offshore shelf-edge spawning aggregations. However, most individuals spent the majority of their time with VIIS and VICRNM, with only a few wide-ranging species moving outside the management units. Five species of snappers (Lutjanidae) accounted for 31% of all individuals tagged, followed by three species of grunts (Haemulidae) accounting for an additional 23% of the total. No other family had more than a single species represented in the study. Bluestripe grunt (Haemulon sciurus) comprised 22% of all individuals tagged, followed by lane snappers (Lutjanus synagris) at 21%, bar jack (Carangoides ruber) at 11%, and saucereye porgy (Calamus calamus) at 10%. The largest individual tagged was a 70 cm TL nurse shark (Ginglymostoma cirratum), followed by a 65 cm mutton snapper (Lutjanus analis), a 47 cm bar jack, and a 41 cm dog snapper (Lutjanus jocu). The smallest individuals tagged were a 19 cm blue tang (Acanthurus coeruleus) and a 19.2 cm doctorfish (Acanthurus chirurgus). Of the 40 bluestriped grunt acoustically tagged, 73% were detected on the receiver array. The average days at large (DAL) was 249 (just over 8 months), with one individual detected for 930 days (over two and a half years). Lane snapper were the next most abundant species tagged (N = 38) with 89% detected on the array. The average days at large (DAL) was 221 with one individual detected for 351 days. Seventy-one percent of the bar jacks (N = 21) were detected on the array with the average DALs at 47 days. All of the mutton snapper (N = 12) were detected on the array with an average DAL of 273 and the longest at 784. The average maximum distance travelled (MDT) was ca. 2 km with large variations among species. Grunts, snappers, jacks, and porgies showed the greatest movements. Among all individuals across species, there was a positive and significant correlation between size of individuals and MDT and between DAL and MDT.

A biogeographic asssessment of seabirds, deep sea corals and ocean habitats of the New York Bight: science to support offshore spatial planning

This report provides a compilation of new maps and spatial assessments for seabirds, bathymetry, surficial sediments, deep sea corals, and oceanographic habitats in support of offshore spatial planning led by the New York Department of State Ocean and Great Lakes Program. These diverse ecological themes represent priority information gaps left by past assessments and were requested by New York to better understand and balance ocean uses and environmental conservation in the Atlantic. The main goal of this report is to translate raw ecological, geomorphological and oceanographic data into maps and assessments that can be easily used and understood by coastal managers involved in offshore spatial planning. New York plans to integrate information in this report with other ecological, geophysical and human use data to obtain a broad perspective on the ocean environment, human uses and their interactions. New York will then use this information in an ecosystem-based framework to coordinate and support decisions balancing competing demands in their offshore environment, and ultimately develop a series of amendments to New York’s federally approved Coastal Management Program. The targeted users of this report and the compiled spatial information are New York coastal managers, but other State and federal decision-makers, offshore renewable energy development interests and environmental advocates will also find the information useful. In addition, the data and approaches will be useful to regional spatial planning initiatives set up by the Mid-Atlantic Regional Council on the Ocean (MARCO) and federal regional planning bodies for coastal and marine spatial planning.

A GIS analysis of coastal development and trends in bottlenose dolphin strandings in Charleston, SC: implications for coastal marine spatial planning

Bottlenose dolphins (Tursiops truncatus) inhabit estuarine waters near Charleston, South Carolina (SC) feeding, nursing and socializing. While in these waters, dolphins are exposed to multiple direct and indirect threats such as anthropogenic impacts (egs. harassment with boat traffic and entanglements in fishing gear) and environmental degradation. Bottlenose dolphins are protected under the Marine Mammal Protection Act of 1972. Over the years, the percentage of strandings in the estuaries has increased in South Carolina and, specifically, recent stranding data shows an increase in strandings occurring in Charleston, SC near areas of residential development. During the same timeframe, Charleston experienced a shift in human population towards the coastline. These two trends, rise in estuarine dolphin strandings and shift in human population, have raised questions on whether the increase in strandings is a result of more detectable strandings being reported, or a true increase in stranding events. Using GIS, the trends in strandings were compared to residential growth, boat permits, fishing permits, and dock permits in Charleston County from 1994-2009. A simple linear regression analysis was performed to determine if there were any significant relationships between strandings, boat permits, commercial fishing permits, and crabpot permits. The results of this analysis show the stranding trend moves toward Charleston Harbor and adjacent rivers over time which suggests the increase in strandings is related to the strandings becoming more detectable. The statistical analysis shows that the factors that cause human interaction strandings such as boats, commercial fishing, and crabpot line entanglements are not significantly related to strandings further supporting the hypothesis that the increase in strandings are due to increased observations on the water as human coastal population increases and are not a natural phenomenon. This study has local and potentially regional marine spatial planning implications to protect coastal natural resources, such as the bottlenose dolphin, while balancing coastal development.

The biology and ecology of the invasive Indo-Pacific lionfish

The Indo-Pacific lionfishes, Pterois miles and P. volitans, are now established along the Southeast U.S. and Caribbean and are expected to expand into the Gulf of Mexico and Central and South America. Prior to this invasion little was known regarding the biology and ecology of these lionfishes. I provide a synopsis of chronology, taxonomy, local abundance, reproduction, early life history and dispersal, venomology, feeding ecology, parasitology, potential impacts, and possible control and management strategies for the lionfish invasion. This information was collected by review of the literature and by direct field and experimental study. I confirm the existence of an unusual supraocular tentacle phenotype and suggest that the high prevalence of this phenotype in the Atlantic is not the result of selection, but likely ontogenetic change. To describe the trophic impacts of lionfish, I report a comprehensive assessment of diet that describes lionfish as a generalist piscivore that preys on over 40 species of teleost comprising more than 20 families. Next, I use the histology of gonads to describe both oogenesis and reproductive dynamics of lionfish. Lionfish mature relatively early and reproduce several times per month throughout the entire calendar year off North Carolina and the Bahamas. To investigate predation, an important component of natural mortality, I assessed the vulnerability of juvenile lionfish to predation by native serranids. Juvenile lionfish are not readily consumed by serranids, even after extreme periods of starvation. Last, I used a stage-based, matrix population model to estimate the scale of control that would be needed to reduce an invading population of lionfish. Together, this research provides the first comprehensive assessment on lionfish biology and ecology and explains a number of life history and ecological interactions that have facilitated the unprecedented and rapid establishment of this invasive finfish. Future research is needed to understand the scale of impacts that lionfish could cause, especially in coral reef ecosystems, which are already heavily stressed. This research further demonstrates the need for lionfish control strategies and more rigorous prevention and early detection and rapid response programs for marine non-native introductions.

Near and distant connection of atmospheric systems to ocean temperature change in the coastal California Current region

In studying hydrosphere, atmosphere, and biosphere interactions, it is useful to focus on specific subsystem processes and energy exchanges (forcing). Since subsystem scales range over ten orders of magnitude, it may be difficult to focus research on scales that will yield useful results in terms of establishing causal and predictive connections between more easily and less easily observed subsystems. In an effort to find pertinent scales, we have begun empirical investigations into relationships between atmospheric, oceanic, and biological systems having spatial scales exceeding 10^3 kilometers and temporal scales of six months or more.