Macro-scale assessment of demographic and environmental variation within genetically derived evolutionary lineages of eastern hemlock (<Emphasis Type="Italic">Tsuga canadensis</Emphasis>), an imperiled conifer of the eastern United States

Eastern hemlock (Tsuga canadensis) occupies a large swath of eastern North America and has historically undergone range expansion and contraction resulting in several genetically separate lineages. This conifer is currently experiencing mortality across most of its range following infestation of a non-native insect. With the goal of better understanding the current and future conservation potential of the species, we evaluate ecological differences among populations within these genetically defined clusters, which were previously inferred using nuclear microsatellite molecular markers from 58 eastern hemlock populations. We sub-divide these clusters into four genetic zones to differentiate putative north-central, north-east and southeast (SE) and southwest evolutionary lineages in eastern hemlock. We use demographic data (relative abundance, mortality, and seedling regeneration) from the Forest Inventory Analysis program in conjunction with environmental data to model how these lineages respond to current and future climatic gradients. Ecologically meaningful relationships are explored in the intraspecific context of hemlock abundance distribution and then related to genetic variation. We also assess hemlock’s colonization likelihood via a long distance dispersal model and explore its future genetic and ecological conservation potential by combining the future suitable habitats with colonization likelihoods. Results show that future habitats under climate change will markedly decline for eastern hemlock. The remaining areas with higher habitat quality and colonization potential are confined to the SE, the genetic zone nearest the species’ putative glacial refugia, pointing to the need to focus our conservation efforts on this ecologically and genetically important region.     

Synthesis and antimicrobial activity of novel 1,4,5-triphenyl-1<Emphasis Type="Italic">H</Emphasis>-imidazol-[1,2,3]-triazole derivatives

Novel 1-phenyl-4-((4-(1,4,5-triphenyl-1H-imidazol-2-yl)phenoxy)methyl)-1H-1,2,3-triazole derivatives were synthesized by click chemistry reaction and screened for antimicrobial activity against grampositive and gram-negative bacterial and fungal species. All the compounds were characterized by ¹H and ¹³C NMR, IR, and mass spectral data. The results of antibacterial study indicated that 1-(4-nitrophenyl)-4-((4-(1,4,5-triphenyl-1H-imidazol-2-yl)phenoxy)methyl)-1H-1,2,3-triazole, 1-(4-(4-((4-(1,4,5-triphenyl-1H-imidazol-2-yl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)phenyl)ethanone, 1-(2,6-dichloro-4-nitrophenyl)-4-((4-(1,4,5-triphenyl-1H-imidazol-2-yl)phenoxy)methyl)-1H-1,2,3-triazole, and 1-(2-methoxy-4-nitrophenyl)-4-((4-(1,4,5-triphenyl-1H-imidazol-2-yl)phenoxy)methyl)-1H-1,2,3-triazole showed appreciable antibacterial activity while 1-(4-fluorophenyl)-4-((4-(1,4,5-triphenyl-1H-imidazol-2-yl)phenoxy) methyl)-1H-1,2,3-triazole, 1-(2,6-dichloro-4-nitrophenyl)-4-((4-(1,4,5-triphenyl-1H-imidazol-2-yl)phenoxy)methyl)-1H-1,2,3-triazole, and 1-(4-methoxyphenyl)-4-((4-(1,4,5-triphenyl-1H-imidazol-2-yl)phenoxy)methyl)-1H-1,2,3-triazole emerged as the most potential antifungal agents.     

Exploring tree species colonization potentials using a spatially explicit simulation model: implications for four oaks under climate change

Climate change impacts tree species differentially by exerting unique pressures and altering their suitable habitats. We previously predicted these changes in suitable habitat for current and future climates using a species habitat model (DISTRIB) in the eastern United States. Based on the accuracy of the model, the species assemblages should eventually reflect the new quasi‐equilibrium suitable habitats (~2100) after accounting for the lag in colonization. However, it is an open question if and when these newly suitable habitats will be colonized under current fragmented landscapes and realistic migration rates. To evaluate this, we used a spatially explicit cell‐based model (SHIFT) that estimates colonization potentials under current fragmented habitats and several estimates of historical migration rates at a 1 km resolution. Computation time, which was previously the biggest constraint, was overcome by a novel application of convolution and Fast Fourier Transforms. SHIFT outputs, when intersected with future suitable habitats predicted by DISTRIB, allow assessment of colonization potential under future climates. In this article, we show how our approach can be used to screen multiple tree species for their colonization potentials under climate change. In particular, we use the DISTRIB and SHIFT models in combination to assess if the future dominant forest types in the north will really be dominated by oaks, as modelled via DISTRIB. Even under optimistic scenarios, we conclude that only a small fraction of the suitable habitats of oaks predicted by DISTRIB is likely to be occupied within 100 years, and this will be concentrated in the first 10–20 km from the current boundary. We also show how DISTRIB and SHIFT can be used to evaluate the potential for assisted migration of vulnerable tree species, and discuss the dynamics of colonization at range limits.     

Identification of type I and type II inhibitors of c-Yes kinase using in silico and experimental techniques

c-Yes kinase is considered as one of the attractive targets for anti-cancer drug design. The DFG (Asp-Phe-Gly) motif present in most of the kinases will adopt active and inactive conformations, known as DFG-in and DFG-out and their inhibitors are classified into type I and type II, respectively. In the present study, two screening protocols were followed for identification of c-Yes kinase inhibitors. (i) Structure-based virtual screening (SBVS) and (ii) Structure-based (SB) and Pharmacophore-based (PB) tandem screening. In SBVS, the c-Yes kinase structure was obtained from homology modeling and seven ensembles with different active site scaffolds through molecular dynamics (MD) simulations. For SB-PB tandem screening, we modeled ligand bound active and inactive conformations. Physicochemical properties of inhibitors of Src kinase family and c-Yes kinase were used to prepare target focused libraries for screenings. Our screening procedure along with docking showed 520 probable hits in SBVS and tandem screening (120 and 400, respectively). Out of 5000 compounds identified from different computational methods, 2410 were examined using kinase inhibition assays. It includes 266 compounds (5.32%) identified from our method. We observed that 14 compounds (12%) are identified by the present method out of 168 that showed > 30% inhibition. Among them, three compounds are novel, unique, and showed good inhibition. Further, we have studied the binding of these compounds at the DFG-in and DFG-out conformations and reported the probable class (type I or type II). Hence, we suggest that these compounds could be novel drug leads for regulation of colorectal cancer.     

The Economic and Environmental Impact of Wastepaper Trade and Recycling in India

There have been increasing pressures by governments and nongovernmental organizations to restrict international trade in waste in the conviction that each nation has to take care of its own waste. We develop a sectoral flow model to investigate if free trade in nontoxic waste can support economic development and simultaneously reduce environmental degradation. The model is formulated as a nonlinear programming model with an objective function that minimizes environmental and economic costs. The model in principle describes the life cycle of Indian paper: Preliminary results suggest that trade in wastepaper is both economically and environmentally advantageous. The results also show that domestic and imported waste-paper are complementary and that import of wastepaper does not "crowd out" the domestic waste paper sector. This implies that the current trend of increasing trade of wastepaper does contribute to a more sustainable paper cycle in India.     

Lessons Learned While Integrating Habitat,Dispersal, Disturbance,and Life-History Traits into Species Habitat Models Under Climate Change

We present an approach to modeling potential climate-driven changes in habitat for tree and bird species in the eastern United States. First, we took an empirical-statistical modeling approach, using randomForest, with species abundance data from national inventories combined with soil, climate, and landscape variables, to build abundance-based habitat models for 134 tree and 147 bird species. We produced lists of species for which suitable habitat tends to increase, decrease, or stay the same for any region. Independent assessments of trends of large trees versus seedlings across the eastern U.S. show that 37 of 40 species in common under both studies are currently trending as modeled. We developed a framework, ModFacs, in which we used the literature to assign default modification factor scores for species characteristics that cannot be readily assessed in such models, including 12 disturbance factors (for example, drought, fire, insect pests), nine biological factors (for example, dispersal, shade tolerance), and assessment scores of novel climates, long-distance extrapolations, and output variability by climate model and emission scenario. We also used a spatially explicit cellular model, SHIFT, to calculate colonization potentials for some species, based on their abundance, historic dispersal distances, and the fragmented nature of the landscape. By combining results from the three efforts, we can create projections of potential climate change impacts over the next 100 years or so. Here we emphasize some of the lessons we have learned over 16 years in hopes that they may help guide future experiments, modeling efforts, and management.     

Mitotic crisis: The unmasking of a novel role for RPA

Mitotic DNA damage is a constant threat to genomic integrity, yet understanding of the cellular responses to this stress remain incomplete. Recent work by Anantha et al. (PNAS 2008; 105:12903–8) has found surprising evidence that RPA, the primary eukaryotic single-stranded DNA-binding protein, can stimulate the ability of cells to exit mitosis into a 2N G₁ phase. Along with providing additional discussion of this study, we review evidence suggesting that DNA replication and repair factors can modulate mitotic transit by acting through Polo-like kinase-1 (Plk1) and the centrosome. “A crisis unmasks everyone.”—Mason Cooley, US aphorist.