Monte-Carlo Simulations of Centrifugal Gas Separation

The use of a Monte–Carlo formalism in a centrifugal gas process separation simulation provides an efficient predictor of dew-pointing as a function of the imposed radial pressure gradient. Previously, this was done by simply calculating radial pressure and then resorting to a separate equation of state routine for evaluating whether condensation will occur or not. In our model, we incorporate the potential energy associated with rotation of a gas element into the simulation along with molecular interaction terms. This enables us to predict when sufficient nucleation has occurred that condensed material forms—an important limit for stable operation of a gas centrifuge.     

Psammaplysin F: A unique inhibitor of bacterial chromosomal partitioning

Described is the antibiotic activity of a marine natural product. Psammaplysin F (1) inhibited the growth of four Gram-positive strains by >80% at 50 μM, and the amine at position C-20 is responsible for the observed antibacterial activity. When tested against two strains of methicillin resistant Staphylococcus aureus (MRSA), the minimum inhibitory concentrations (MICs) for psammaplysin F (40–80 μM) were similar to the structurally-related alkaloid psammaplysin H (2). Psammaplysin F (1) increased membrane permeability by two to four-fold compared to psammaplysin H (2) or control-treated bacteria, respectively. Unlike psammaplysin H (2), we show that psammaplysin F (1) inhibits equal partitioning of DNA into each daughter cell, suggesting that this natural product is a unique prokaryotic cell division inhibitor.     

Assessing hydrologic alteration: Evaluation of different alternatives according to data availability

The natural flow regime of rivers across the world has been largely modified. Understanding the extent to which the flow regime deviates from natural conditions is necessary for designing sound management and restoration measures. In this regard, ‘Indicators of Hydrologic Alteration’ is currently considered one of the most effective approaches for assessing hydrologic alteration (HA). However, several generalized drawbacks such as the climatic variability between the pre- and post-impacted series and the scarcity of hydrological data in many impaired rivers should be addressed. In this study, a protocol with the following five alternative designs based on data availability is presented: (1) Paired-Before–After Control–Impact (BACIP), (2) Before–After (BA), (3) Control–Impact (CI), (4) Hydrological Classification (HC) and (5) Predicted Hydrological indices (HP). BACIP compares the status of the impacted gauge before and after the perturbation is started, in addition to controlling for natural climatic changes. Hence, it has been considered as the reference benchmark for all other designs. When this protocol was applied to 11 reservoirs situated in the northern third of the Iberian Peninsula, the BA design was able to correctly identify most of the non-significant HA but failed in almost one quarter of the significant alterations. Similarly, BACIP and CI showed an agreement of >80%. This suggests that the method is suitable when proper data are unavailable for BACIP or BA. In addition, our results indicated that the critical thresholds for HA varied depending on the hydrological index being considered. Significant HAs ranged from <5% for the number of days with increasing and decreasing flows to >64% for the duration of low-flow pulses. To delineate adequate thresholds, further research combining hydrological analyses with the biological response to the HA is warranted. Finally, the application of HC and HP designs revealed a significant degree of uncertainty related to the intra-class variability and the predictive error of the models. Therefore, 25% of the analysis could not be evaluated. However, in the evaluable cases, the HC and HP designs correctly assessed >75% of the HA, which highlighted the potential of this method in cases of scarce streamflow data.     

Incorporating spatial autocorrelation in rarefaction methods: Implications for ecologists and conservation biologists

Recently, methods for constructing Spatially Explicit Rarefaction (SER) curves have been introduced in the scientific literature to describe the relation between the recorded species richness and sampling effort and taking into account for the spatial autocorrelation in the data. Despite these methodological advances, the use of SERs has not become routine and ecologists continue to use rarefaction methods that are not spatially explicit. Using two study cases from Italian vegetation surveys, we demonstrate that classic rarefaction methods that do not account for spatial structure can produce inaccurate results. Furthermore, our goal in this paper is to demonstrate how SERs can overcome the problem of spatial autocorrelation in the analysis of plant or animal communities. Our analyses demonstrate that using a spatially-explicit method for constructing rarefaction curves can substantially alter estimates of relative species richness. For both analyzed data sets, we found that the rank ordering of standardized species richness estimates was reversed between the two methods. We strongly advise the use of Spatially Explicit Rarefaction methods when analyzing biodiversity: the inclusion of spatial autocorrelation into rarefaction analyses can substantially alter conclusions and change the way we might prioritize or manage nature reserves.     

HSP60/10 chaperonin systems are inhibited by a variety of approved drugs,natural products,and known bioactive molecules

All living organisms contain a unique class of molecular chaperones called 60?kDa heat shock proteins (HSP60 – also known as GroEL in bacteria). While some organisms contain more than one HSP60 or GroEL isoform, at least one isoform has always proven to be essential. Because of this, we have been investigating targeting HSP60 and GroEL chaperonin systems as an antibiotic strategy. Our initial studies focused on applying this antibiotic strategy for treating African sleeping sickness (caused by Trypanosoma brucei parasites) and drug-resistant bacterial infections (in particular Methicillin-resistant Staphylococcus aureus – MRSA). Intriguingly, during our studies we found that three known antibiotics – suramin, closantel, and rafoxanide – were potent inhibitors of bacterial GroEL and human HSP60 chaperonin systems. These findings prompted us to explore what other approved drugs, natural products, and known bioactive molecules might also inhibit HSP60 and GroEL chaperonin systems. Initial high-throughput screening of 3680 approved drugs, natural products, and known bioactives identified 161 hit inhibitors of the Escherichia coli GroEL chaperonin system (4.3% hit rate). From a purchased subset of 60 hits, 29 compounds (48%) re-confirmed as selective GroEL inhibitors in our assays, all of which were nearly equipotent against human HSP60. These findings illuminate the notion that targeting chaperonin systems might be a more common occurrence than we previously appreciated. Future studies are needed to determine if the in vivo modes of action of these approved drugs, natural products, and known bioactive molecules are related to GroEL and HSP60 inhibition.     

Current capacity,bottlenecks, and future projections for offsetting habitat loss using Mitigation and Conservation banking in the United States

Habitat banking in its many iterations is an established and popular mechanism to deliver environmental offsets. The United States can look back at over 30 years of banking experience with the underlying framework and policies being consistently updated and improved. Given the increased demand in habitat banking, we provide insights into how bank area capacity is distributed across the United States for four different bank targets (wetlands, streams, multiple ecosystems, species) based on information extracted from the Regulatory In-lieu Fee and Bank Information Tracking System, as well as, estimating future capacities and area reserves through a predictive modeling approach based on data from the past 26 years. Future predictions indicate a decrease in available reserves for banks targeting wetlands or multiple ecosystems, with potential bottlenecks relating to large reserves being limited to the southeast and release schedules not catching up to the current and anticipated demand. Banks targeting species or streams are predicted to meet future demand, with species banks (conservation banks) following a different legislative and operational approach based on the listing of endangered species and pro-active approaches with anticipated future demand. Most current reserves for all four bank types are restricted to very few service areas with around one-third of all bank areas still awaiting release, limiting their availability on a broader scale. Strategic planning networks are necessary to meet future demand on a national scale and to identify areas suitable for banking or likely to experience future environmental or developmental stress.     

Theoretical studies of biliverdin: energetics of the reduction pathways to bilirubin

Geometries and energies of formation of bilirubin formed by reduction of biliverdin via three meso carbon sites, the , and positions, have been calculated using semiempirical methods. It has been shown that -bilirubin with a ridge-tile conformation forms six intramolecular hydrogen bonds and is the most stable of the three above mentioned positions by at least 22 kcal mol^–1. Reduction pathways for -, - and -bilirubin formations from biliverdin are studied in detail. The roles of loss of conjugation and hydrogen bond formations in stability of different conformers have been discussed. -Bilirubin was fully optimized by using ab initio methods. Fine refinements of calculated results show excellent agreement with experimental results. Electronic supplementary material to this paper can be obtained by using the Springer LINK server located at http://dx.doi.org/10.1007/s00894-002-0078-9.Electronic Supplementary Material available.     

Evidence for plant exploitation and vegetation history from three Early Neolithic pre-pottery sites on the Euphrates (Syria)

Archaeobotanical results based on a limited number of samples from three aceramic sites dating from 9800 to 7800 B.P., which are under excavation in the valley of the Middle Euphrates, are discussed. The finds are presented simply by presence, and are compared to the contemporary vegetation and finds from similar sites. Carbonised plant remains recovered by flotation from levels dated to between 9800 and 9200 B.P. (Dja'de and Jerf al Ahmar) indicate that wild cereals (einkorn wheat, rye and barley) and pulses (lentils, pea and bitter vetch) were exploited. Other plants such as wild grasses, Pistacia, wild almond and oak, suggest that the local vegetation provided a rich diversity of resources. A study of possible weed taxa is being carried out in order to see whether this assemblage could be used to identify the cultivation of morphologically wild cereals for this period. Ninth millennium B.P. levels at Halula see the appearance of domestic crops such as emmer, naked wheat and barley, but wild-type cereals persist. The cultivars appear to have been introduced from elsewhere and later ninth millennium B.P. species include olive and flax. Ash, vine, maple, plane, alder and elm from the gallery forest, wild rye, wild einkorn, deciduous oak, wild almond, Pistacia, and Pyrus, from the hinterland, indicate cooler conditions.     

Meroditerpenoids from the southern Australian marine brown alga Sargassum fallax

Chemical investigation of the southern Australian marine brown alga Sargassum fallax resulted in the isolation of three meroditerpenoids fallahydroquinone, fallaquinone and fallachromenoic acid together with the previously reported compounds sargaquinone [isolated and identified in a mixture with sargaquinoic acid], sargahydroquinoic acid, sargaquinoic acid and sargachromenol. As a result of this study the complete 2D NMR characterisation for sargaquinoic acid and sargahydroquinoic acid can now be reported for the first time. All structures were elucidated by detailed spectrometric analysis. Sargaquinoic acid and sargahydroquinoic acid displayed moderate antitumour activity.     

Nutrient fluxes via litterfall and leaf litter decomposition vary across a gradient of soil nutrient supply in a lowland tropical rain forest

The extent to which plant communities are determined by resource availability is a central theme in ecosystem science, but patterns of small-scale variation in resource availability are poorly known. Studies of carbon (C) and nutrient cycling provide insights into factors limiting tree growth and forest productivity. To investigate rates of tropical forest litter production and decomposition in relation to nutrient availability and topography in the absence of confounding large-scale variation in climate and altitude we quantified nutrient fluxes via litterfall and leaf litter decomposition within three distinct floristic associations of tropical rain forest growing along a soil fertility gradient at the Sepilok Forest Reserve (SFR), Sabah, Malaysia. The quantity and nutrient content of small litter decreased along a gradient of soil nutrient availability from alluvial forest (most fertile) through sandstone forest to heath forest (least fertile). Temporal variation in litterfall was greatest in the sandstone forest, where the amount of litter was correlated negatively with rainfall in the previous month. Mass loss and N and P release were fastest from alluvial forest litter, and slowest from heath forest litter. All litter types decomposed most rapidly in the alluvial forest. Stand-level N and P use efficiencies (ratios of litter dry mass to nutrient content) were greatest for the heath forest followed by the sandstone ridge, sandstone valley and alluvial forests, respectively. We conclude that nutrient supply limits productivity most in the heath forest and least in the alluvial forest. Nutrient supply limited productivity in sandstone forest, especially on ridge and hill top sites where nutrient limitation may be exacerbated by reduced rates of litter decomposition during dry periods. The fluxes of N and P varied significantly between the different floristic communities at SFR and these differences may contribute to small-scale variation in species composition.