Molecular simulations of metal adsorption to bacterial surfaces

The atomic-scale interactions that occur between cations and the metal-binding cell wall components common to many gram-positive bacteria were investigated using molecular simulations techniques. We examined the adsorption of Cd and Pb onto peptidoglycan and teichoic acid components of the bacterial cell wall using classical energy force field methods. Within the framework of molecular mechanics and the Cerius² modeling software, we used energy minimization, conformational analysis, and molecular dynamics to examine the different components of the cell wall and to determine relative binding energies and structural configurations of the cell wall components, both with and without the metals present. Electronic structure calculations of representative metal-organic complexes validate the more practical classical methods required in simulating the large number of atoms associated with the cell wall components. The classical force field simulations were conducted in both gas phase and solvated periodic cells. Force field-based simulation techniques can adequately describe the interactions of Cd with the cell wall, defining both metal ion coordinations and binding distances. However, the classical force field approach is inconsistent in describing the observed Pb-cell wall interactions due to possible limitations in the force field parameters, the propensity for Pb to form hydroxides at circumneutral pH, or the dominance of other adsorption mechanisms.     

Experimental determination of REE partition coefficients between zircon,garnet and melt: a key to understanding high‐T crustal processes

The partitioning of rare earth elements (REE) between zircon, garnet and silicate melt was determined using synthetic compositions designed to represent partial melts formed in the lower crust during anatexis. The experiments, performed using internally heated gas pressure vessels at 7 kbar and 900–1000 °C, represent equilibrium partitioning of the middle to heavy REE between zircon and garnet during high‐grade metamorphism in the mid to lower crust. The D_REE (zircon/garnet) values show a clear partitioning signature close to unity from Gd to Lu. Because the light REE have low concentrations in both minerals, values are calculated from strain modelling of the middle to heavy REE experimental data; these results show that zircon is favoured over garnet by up to two orders of magnitude. The resulting general concave‐up shape to the partitioning pattern across the REE reflects the preferential incorporation of middle REE into garnet, with D_Gd (zircon/garnet) ranging from 0.7 to 1.1, D_Ho (zircon/garnet) from 0.4 to 0.7 and D_Lu (zircon/garnet) from 0.6 to 1.3. There is no significant temperature dependence in the zircon–garnet REE partitioning at 7 kbar and 900–1000 °C, suggesting that these values can be applied to the interpretation of zircon–garnet equilibrium and timing relationships in the ultrahigh‐T metamorphism of low‐Ca pelitic and aluminous granulites.     

Results of concentration and mobility measurements of positively and negatively charged particles taken by a rocket-borne parachuted aspiration (Gerdien) probe in the height region from 72 to 39 km

Summary With a self-neutralizing, rocket-borne parachute aspiration probe concentration and mobility measurements of positively and negatively charged carriers were made between 72 and 40 km over Sardinia. Between 72 km and 60 km a heavy and a light group of positively charged particles were found. The heavy group was more abundant than the hight group in the greater heights. For the negatively charged particles only one mobility group was found which roughly corresponded to the mobility of the light group of the positively charged carriers. The probe was designed so that no electrons could enter the analyzer section of the aspiration system. By this the electron concentration was given by the difference in concentration between the positively and negatively charged particles.This paper was read byH. Dolezalek, in an abbreviated form supplied by the authors.     

Early and Middle Pleistocene landscapes of eastern England

This paper reviews the pattern of climate and environmental change in eastern England over the period of the Early and Middle Pleistocene, focussing especially upon northern East Anglia. Particular attention is given to the climate and tectonics that have brought about these changes and the distinctive geology, topography and biology that has developed. Throughout, an attempt is made to describe the new models that have been proposed for the Early and Middle Pleistocene of eastern England, and explain the reasons for these changes. The Early Pleistocene experienced relatively high insulation and relatively low magnitude climatic change and is represented primarily by non-climatically forced processes in the form of tidal current- and wave-activity which formed shallow marine deposits. It is possible to recognise a tectonic control in the distribution of deposits of this age because the surface processes do not have the power to remove this signature. The early Middle Pleistocene was dominated by higher magnitude climatic change involving, occasionally, climatic extremes that ranged from permafrost to mediterranean. The landscape at this time was dominated by the behaviour of major rivers (Thames, Bytham, Ancaster) and extensive coastal activity. In the latter part of the early Middle Pleistocene and the Late Middle Pleistocene the climate experienced major changes which resulted in periods of lowland glaciation and short intervals when the climate was warmer than the present. Details of tectonic activity are difficult to identify because they are removed by powerful surface processes, but it is possible to infer uplift focussed on the major interfluves of central England and subsidence in the North Seas basin. In the areas of glaciation the landscape changed radically from an organised terrain dominated by large rivers and extensive shallow coastal zones to complex, with small valleys, disrupted drainage and often discontinuous river, slope and coastal deposits. Likewise the switching off of the North Sea Delta and the opening of the Strait of Dover, separating Britain from continental Europe can be attributed to the onset of lowland glaciation. The case is made that eastern England was glaciated four times during the Middle Pleistocene: during MIS 16, 12, 10 and 6, and attention is given to recent evidence contradicting this model. Over the period of the Middle Pleistocene there is evidence for high biomass production occurring over short intervals coinciding with the climatic optima of MIS 19, 17, 15, 13, 11, and 7c, 7a and during most of these warmer periods, extending back to c. 750 ka (MIS 19/17), there is evidence in the region for the brief appearance of humans.     

El Chichón volcano, April 4, 1982: volcanic cloud history and fine ash fallout

This retrospective study focuses on the fine silicate particles (<62 µm in diameter) produced in a large eruption that was otherwise well studied. Fine particles represent a potential hazard to aircraft, because as simple particles they have very low terminal velocities and could potentially stay aloft for weeks. New data were collected to describe the fine particle size distributions of distal fallout samples collected soon after eruption. Although, about half of the mass of silicate particles produced in this eruption of ~1 km³ dense rock equivalent magma were finer than 62 µm in diameter, and although these particles were in a stratospheric cloud after eruption, almost all of these fine particles fell to the ground near (<300 km) the volcano in a day or two. Particles falling out from 70 to 300 km from the volcano are mostly <62 µm in diameter. The most plausible explanation for rapid fallout is that the fine ash nucleates ice in the convective cloud and initiates a process of meteorological precipitation that efficiently removes fine silicates. These observations are similar to other eruptions and we conclude that ice formation in convective volcanic clouds is part of an effective fine ash removal process that affects all or most volcanic clouds. The existence of pyroclastic flows and surges in the El Chichón eruption increased the overall proportion of fine silicates, probably by milling larger glassy pyroclasts.     

Improved barometric and loading efficiency estimates using packers in monitoring wells

Measurement of barometric efficiency (BE) from open monitoring wells or loading efficiency (LE) from formation pore pressures provides valuable information about the hydraulic properties and confinement of a formation. Drained compressibility (α) can be calculated from LE (or BE) in confined and semi-confined formations and used to calculate specific storage (S _s). S _s and α are important for predicting the effects of groundwater extraction and therefore for sustainable extraction management. However, in low hydraulic conductivity (K) formations or large diameter monitoring wells, time lags caused by well storage may be so long that BE cannot be properly assessed in open monitoring wells in confined or unconfined settings. This study demonstrates the use of packers to reduce monitoring-well time lags and enable reliable assessments of LE. In one example from a confined, high-K formation, estimates of BE in the open monitoring well were in good agreement with shut-in LE estimates. In a second example, from a low-K confining clay layer, BE could not be adequately assessed in the open monitoring well due to time lag. Sealing the monitoring well with a packer reduced the time lag sufficiently that a reliable assessment of LE could be made from a 24-day monitoring period. The shut-in response confirmed confined conditions at the well screen and provided confidence in the assessment of hydraulic parameters. A short (time-lag-dependent) period of high-frequency shut-in monitoring can therefore enhance understanding of hydrogeological systems and potentially provide hydraulic parameters to improve conceptual/numerical groundwater models.     

Spatial and Temporal Patterns in <Emphasis Type="Italic">Thalassia testudinum</Emphasis> Leaf Tissue Nutrients at the Chandeleur Islands,Louisiana, USA

Seagrasses are submerged marine plants that are anchored to the substrate and are therefore limited to assimilating nutrients from the surrounding water column or sediment, or by translocating nutrients from adjacent shoots through the belowground rhizome. As a result, seagrasses have been used as reliable ecosystem indicators of surrounding nutrient conditions. The Chandeleur Islands are a chain of barrier islands in the northern Gulf of Mexico that support the only marine seagrass beds in Louisiana, USA, and are the sole location of the seagrass Thalassia testudinum across nearly 1000 km of the coastline from west Florida to central Texas. Over the past 150 years, the land area of the Chandeleur Islands has decreased by over half, resulting in a decline of seagrass cover. The goals of this study were to characterize the status of a climax seagrass species at the Chandeleur Islands, T. testudinum, in terms of leaf nutrient (nitrogen [N] and phosphorus [P]) changes over time, from 1998 to 2015, and to assess potential drivers of leaf nutrient content. Thalassia testudinum leaf nutrients displayed considerable interannual variability in N and P content and molar ratios, which broadly mimicked patterns in annual average dissolved nutrient concentrations in the lower Mississippi River. Hydrological modeling demonstrated the potential for multiple scenarios that would deliver Mississippi River water, and thus nutrients, to T. testudinum at the Chandeleur Islands. Although coastal eutrophication is generally accepted as the proximate cause for seagrass loss globally, there is little evidence that nutrient input from the Mississippi River has driven the dramatic declines observed in seagrasses at the Chandeleur Islands. Rather, seagrass cover along the Chandeleur Islands appears to be strongly influenced by island geomorphological processes. Although variable over time, the often elevated nutrient levels of the climax seagrass species, T. testudinum, which are potentially driven by river-derived nutrient inputs, raises an important consideration of the potential loss of the ecosystem functions and services associated with these declining seagrass meadows.     

Observations of Thin Layers in Coastal Hawaiian Waters

Thin layers of plankton have been documented in a wide variety of environments. The growing body of observations indicates that these features are a critical component of marine ecosystem dynamics and functioning. In the past two decades, much of the research on thin layers was undertaken in temperate coastal waters. Here, we report the first known observations of thin layers of phytoplankton in tropical Hawaiian waters. We conducted an overnight shipboard study during which time we made high-resolution observations of physical and optical structure in the water column. During the overnight cruise, we observed the greatest number of thin layers in the early evening hours when thermal stratification was strongest and most persistent due to a combination of warm air and surface water, as well as light winds. A comparison of these observations with those from temperate regions leads us to hypothesize that the nature and persistence of the physical structure is very important in determining the persistence of thin layered structures. Because plankton biomass is generally lower in tropical regions, the heterogeneous aggregation of food in thin subsurface layers may be more critical to the marine ecosystem than it is in temperate regions where plankton are generally more abundant.     

Paleowind velocity and paleocurrents of pluvial Lake Manly,Death Valley,USA

Pluvial lake deposits are found throughout western North America and are frequently used to reconstruct regional paleoclimate. In Death Valley, California, USA, we apply the beach particle technique (BPT) of Adams (2003), Sedimentology, 50, 565–577 and Adams (2004), Sedimentology, 51, 671–673 to Lake Manly deposits at the Beatty Junction Bar Complex (BJBC), Desolation Canyon, and Manly Terraces and calculate paleowind velocities of 14–27 m/s. These wind velocities are within the range of present-day wind velocities recorded in the surrounding area. Sedimentary structures and clast provenance at Desolation Canyon and the Manly Terraces indicate sediment transport from north to south. Lake level, based on the elevation of constructional features, indicates that the hill west of the BJBC was an island and that the BJBC spits formed during simple lake regression. The data are consistent with the hypothesis that the present wind regime (velocity and direction) formed the pluvial Lake Manly features.