A habitat quality indicator for common birds in Europe based on species distribution models

The EU 2020 Biodiversity Strategy requires the gathering of information on biodiversity to aid in monitoring progress towards its main targets. Common species are good proxies for the diversity and integrity of ecosystems, since they are key elements of the biomass, structure, functioning of ecosystems, and therefore of the supply of ecosystem services. In this sense, we aimed to develop a spatially-explicit indicator of habitat quality (HQI) at European level based on the species included in the European Common Bird Index, also grouped into their major habitat types (farmland and forest). Using species occurrences from the European Breeding Birds Atlas (at 50 km × 50 km) and the maximum entropy algorithm, we derived species distribution maps using refined occurrence data based on species ecology. This allowed us to cope with the limitations arising from modelling common and widespread species, obtaining habitat suitability maps for each species at finer spatial resolution (10 km × 10 km grid), which provided higher model accuracy. Analysis of the spatial patterns of local and relative species richness (defined as the ratio between species richness in a given location and the average richness in the regional context) for the common birds analysed demonstrated that the development of a HQI based on species richness needs to account for the regional species pool in order to make objective comparisons between regions. In this way, we proved that relative species richness compensated for the bias caused by the inherent heterogeneous patterns of the species distributions that was yielding larger local species richness in areas where most of the target species have the core of their distribution range. The method presented in this study provides a robust and innovative indicator of habitat quality which can be used to make comparisons between regions at the European scale, and therefore potentially applied to measure progress towards the EU Biodiversity Strategy targets. Finally, since species distribution models are based on breeding birds, the HQI can be also interpreted as a measure of the capacity of ecosystems to provide and maintain nursery/reproductive habitats for terrestrial species, a key maintenance and regulation ecosystem service.     

Long-term monitoring data meet freshwater species distribution models: Lessons from an LTER-site

Long-term monitoring datasets provide a solid framework for ecological research. Such a dataset from the German long-term ecological research (LTER) site Rhine-Main-Observatory was used to set up a species distribution model (SDM) for the Kinzig catchment. The extensive knowledge on the monitoring data provided by the LTER-site framework allowed to calibrate a robust model for 175 taxa of stream macroinvertebrates and to project their distributions on the Kinzig River stream network using bioclimatic, topographical, hydrological, land use and geological predictors. On average, model performance was good, with a TSS of 0.83 (±0.09 SD) and a ROC of 0.95 (±0.03 SD). The model delivered valuable insights on three sources of bias that plague SDMs in general: (a) level of taxonomic identification of the modeled organisms, (b) the spatial arrangement of sampling sites, and (c) the sampling intensity at each sampling site. Taxonomic resolution did not affect SDM performance. The distribution of high predicted probabilities of occurrence in the stream network coincided with those segments in the stream network most densely and frequently sampled, indicating both a spatial and temporal sampling bias. Species richness curves confirmed the temporal sampling bias. Next to spatial bias, sampling frequency also plays an important role in data collection, affecting further analysis and modeling procedures. Results indicate an underrepresentation of low order streams, an important aspect that should be addressed by both monitoring schemes and modeling approaches.     

A test of traditional diversity measures and taxonomic distinctness indices on benthic diatoms of soda pans in the Carpathian basin

Saline lakes are threatened all over the world and their conservation has been a key issue. Various diversity indices are available for ecological status assessments, however, with poorly explored relevance and applicability in saline, alkaline pans. Therefore, traditional diversity measures (species richness and Shannon diversity) and taxonomic distinctness indices (Average [AvTD] and Variance of Taxonomic Distinctness [VarTD]) were tested in more than 100 sampling sites of 39 soda pans in Central-Europe to find sufficient indicators of the ecological condition and simultaneously to facilitate their preservation according to the modern conservation practices. Results of the analyses showed that healthy soda pan ecosystems with high level of natural stress and reduced habitat heterogeneity are characterized by low diversity diatom assemblages. In soda pans where the stress can be extremely high from natural reasons, oligopoly of closely related species can develop: the average taxonomic distinctness appeared between genus and family level. The non-DNA-sequence based phylogenetic diversity measures (AvTD and VarTD), were generally sensitive to the trophic state of the lakes, in contrast to traditional diversity metrics, which were unequivocally indicative for the special physical and chemical parameters (e.g. conductivity, pH) of the soda pans. In some cases, when the response of the diversity measures for a given environmental variable (pH, temperature) overlapped, the AvTD was found to be a more precise indicator of the environmental changes (pH) than traditional ones. The decreasing tendency of the AvTD along the intensified natural impact may be explained by the long available time for the species to adapt to these special environments.     

A comprehensive approach to the molecular determinants of lifespan using a Boolean model of geroconversion

Altered molecular responses to insulin and growth factors (GF) are responsible for late‐life shortening diseases such as type‐2 diabetes mellitus (T2DM) and cancers. We have built a network of the signaling pathways that control S‐phase entry and a specific type of senescence called geroconversion. We have translated this network into a Boolean model to study possible cell phenotype outcomes under diverse molecular signaling conditions. In the context of insulin resistance, the model was able to reproduce the variations of the senescence level observed in tissues related to T2DM's main morbidity and mortality. Furthermore, by calibrating the pharmacodynamics of mTOR inhibitors, we have been able to reproduce the dose‐dependent effect of rapamycin on liver degeneration and lifespan expansion in wild‐type and HER2–neu mice. Using the model, we have finally performed an in silico prospective screen of the risk–benefit ratio of rapamycin dosage for healthy lifespan expansion strategies. We present here a comprehensive prognostic and predictive systems biology tool for human aging.     

In silico investigation of PARP-1 catalytic domains in holo and apo states for the design of high-affinity PARP-1 inhibitors

The rational design of high-affinity inhibitors of poly-ADP-ribose polymerase-1 (PARP-1) is at the heart of modern anti-cancer drug design. While relevance of enzyme to DNA repair processes in cellular environment is firmly established, the structural and functional understanding of the main determinants for high-affinity ligands controlling PARP-1 activity is still lacking. The conserved active site of PARP-1 represents an ideal target for inhibitors and may offer a novel target at the treatment of breast cancer. To fill the gap in the structural knowledge, we report on the combination of molecular dynamics (MD) simulations, principal component analysis (PCA), and conformational analysis that analyzes in great details novel binding mode for a number of inhibitors at the PARP-1. While optimization of the binding affinity for original target is an important goal in the drug design, many of the promising molecules for treatment of the breast cancer are plagued by significant cardiotoxicity. One of the most common side-effects reported for a number of polymerase inhibitors is its off-target interactions with cardiac ion channels and hERG1 channel, in particular. Thus, selected candidate PARP-1 inhibitors were also screened in silico at the central cavities of hERG1 potassium ion channel.     

Pyrazolo[1,5-a]quinazoline scaffold as 5-deaza analogue of pyrazolo[5,1-c][1,2,4]benzotriazine system: synthesis of new derivatives,biological activity on GABAA receptor subtype and molecular dynamic study

To investigate the binding affinity of GABA_A receptor subtype, new pyrazolo [1,5-a]quinazolines were designed, synthesized, and in vitro evaluated. These compounds, 5-deaza analogues of pyrazolo[5,1-c][1,2,4]benzotriazine derivatives which were already studied in our research group, permit us to evaluate the relevance of the nitrogen or the oxygen atom at 5-position of the tricyclic scaffold. Molecular dynamic study was done on a set of the new and known ligands to rationalize and to explain the lack of affinity on the 4- or 5-substituted new derivative. In fact, from biological results, it can be found that the only 5-unsubstituted new derivative, compound 15, has receptor recognition (K_i?=?834.7?nM).     

Insect distribution in response to climate change based on a model: Review of function and use of CLIMEX

The significant dependence of agricultural productivity on pest control requires pest distribution predictions at an early stage of pest invasion. Because pest cycles are critically affected by climate, climate is one of the most important factors for predicting an invasive pest. CLIMEX is a highly effective tool that can predict potential geographical species distributions, and test the regional suitability for a target species' habitat based on data including climate change scenarios. CLIMEX has been recently used in Europe, North America, China and Australia, among others. However, for modeling species distributions in Korea, the use of the model has been limited to date. This study aimed to first introduce the function and application of CLIMEX by reviewing important studies using this model. Second, we investigated previous studies using the model simulation to demonstrate the practical applicability of CLIMEX for the agricultural sector, and its use in forecasting.     

Study on the interaction between pelargonidin‐3‐O‐glucoside and bovine serum albumin using spectroscopic,transmission electron microscopy and molecular modeling techniques

The aim of this study is to evaluate the binding behavior between pelargonidin‐3‐O‐glucoside (P3G) and bovine serum albumin (BSA) using multi‐spectroscopic, transmission electron microscopy (TEM) and molecular docking methods under physiological conditions. Fluorescence spectroscopy and time‐resolved fluorescence showed that the fluorescence of BSA could be quenched remarkably by P3G via a static quenching mechanism, and there is a single class of binding site on BSA. In addition, the thermodynamic functions ΔH and ΔS were –21.69 kJ/mol and 24.46 J/mol/K, indicating that an electrostatic interaction was a main acting force. The distance between BSA and P3G was 2.74 nm according to Förster's theory, illustrating that energy transfer occurred. In addition, the secondary structure of BSA changed with a decrease in the α‐helix content from 66.2% to 64.0% as seen using synchronous fluorescence, UV/vis, circular dichroism and Fourier transform infrared spectroscopies, whereas TEM images showed that P3G led to BSA aggregation and fibrillation. Furthermore, site marker competitive experiments and molecular docking indicated that P3G could bind with subdomain IIA of BSA. The calculated results of the equilibrium fraction showed that the concentration of free P3G in plasma was high enough to be stored and transported from the circulatory system to its target sites to provide therapeutic effects. Copyright © 2015 John Wiley & Sons, Ltd.     

Phytomass change in natural phytocenosis as an indicator of technogenic pollution of soils with heavy metals

This study considered the possibility of using plant community phytomass for the assessment of soil pollution with heavy metals (HM) from industrial wastes. The three-year-long field experiment was run under the regional natural meadow vegetation; the polymetallic galvanic slime was used as an industrial waste contaminant. It is shown that soil contamination primarily causes decrease of phytomass in the growing phytocenosis. The vegetation experiments determined nonlinear dependence of cultivated and wild plant biomass on the level of soil contamination; it is described by the equations of logistic and Gaussian regression. In the absence of permanent contaminants, the soil is self-cleaned over time. It reproduces phytomass mainly due to the productivity increase of the most pollution-tolerant species in the remaining phytocenosis. This phenomenon is defined as environmental hysteresis. Soil pollution by industrial waste leads to the loss of plant biodiversity. The research shows that the study of the HM impact on ecosystems is expedient given the consideration of the “soil–phytocenosis–pollutant” complex in the “dose–response” aspect. The reaction of phytocenosis on HM showing decline in phytomass leads to serious limitations in the choice of accumulating plants, because the adsorbed HM are rejected through phytomass.     

糖尿病血管平滑肌细胞增殖与线粒体关系的研究进展

糖尿病(diabetes mellitus,DM)是严重危害人类健康的全身性代谢疾病,常发生血液流变学、微循环和细胞代谢的紊乱,导致缺血、缺氧和组织水肿,进而引起血管和神经病变。血管病变常常是糖尿病病人致死、致残的主要原因。血管平滑肌细胞的增殖及表型改变是糖尿病引发动脉粥样硬化性疾病的显著特征,而线粒体在血管平滑肌细胞的增殖过程中起重要作用。因此,探讨糖尿病血管平滑肌细胞与线粒体的关系及机制为糖尿病血管性疾病的治疗提供重要的理论基础,有利于基础研究向临床试用药物研究的转化。