Structure of Supercritical Fluid Krypton at Small Scattering Angle Using Parallel Molecular Dynamics Simulation

Abstract

We present a parallel algorithm for molecular dynamics involving short-range two- and three-body potentials and the pair-correlation function, g(r). The method is based on a spatial decomposition of the simulation box that takes advantage of a linked-cell list, and allows a load balanced partition of the computations of both the forces and g(r) over the processors. The tests of the program is conducted by evaluating the efficiency for both the thermalization phase and the production phase of the simulation. This method is successfully applied to the calculation of the direct correlation function of fluid krypton at small scattering angle along the T = 297 K supercritical isotherm.     

Using the Ecological Risk Index Based on Combined Watershed and Administrative Boundaries to Assess Human Disturbances on River Ecosystems

Efforts at the restoration of river ecosystems are needed not only in local habitats but are also important in terrestrial regions. Large-scale assessment of human activities can be useful in integrated watershed management. In this study, we modified the Ecological Risk Index (ERI) by considering the spatial distribution of human activities in China's Haihe River Basin (HRB). The stressor factors of human activities included population, impervious surface, cattle, agricultural land use, industry, fertilizers, pesticides, water conservation facilities, and roads. A total of 423 assessment units in the HRB were created by combining watershed and administrative boundaries to analyze the spatial distribution of human activities. Two index options, the ERI (including all stressors) and the ERI-D (excluding reservoirs and sluices), were examined for different management objectives. All the stressors and both ecological risk indices (ERI and ERI-D) were ranked in four levels: low, moderate, high, and very high. Our study demonstrated that the ERI and ERI-D can provide an overview of the spatial pattern of human stressors related to river ecosystems across a large geographic region. The approach developed in this study is useful for prioritizing management actions in targeted areas.     

科尔沁沙地典型固沙人工林地土壤水分时空特征及其对环境因子的响应

土壤水分时空动态特征对于干旱地区人工林的可持续经营与管理起着至关重要的作用。以位于科尔沁沙地南缘的樟子松和柠条固沙人工林为对象，于2018年11月-2019年11月连续观测了林地0-200 cm土壤剖面的含水量、温度及微气象因子，系统分析了土壤水分的时空变化特征及其对环境因子的响应。研究期内，两种林地土壤水分的季节变化可分为冻结期、补充期、消耗期和稳定期；依据土壤剖面的水分特征可分为易变层、活跃层和稳定层，但两种林地的分层深度有一定差异。在生长季内（5-10月），土壤含水量对大气降雨的响应随着土层深度的增加而减弱；降雨对樟子松人工林0-20 cm层土壤水分的影响极显著（P<0.01），对柠条人工林0-10 cm层的影响极显著（P<0.01）、20-60 cm层显著（P<0.05）。在土壤冻融周期内（2018年11月-2019年4月），两种林地的土壤均表现为"单向冻结"和"双向融化"的特点；土壤温度是影响冻融期内土壤含水量的关键因素，两者呈极显著的指数函数关系；樟子松和柠条人工林土壤的最大冻结深度分别为170 cm和190 cm，前者10 cm土层解冻时间要比后者晚11 d，可能与乔木树冠的遮阴作用有关。潜在蒸散与柠条林0-60 cm层、樟子松林0-20 cm和200 cm层的土壤水分呈极显著相关（P<0.01），而与樟子松林60 cm和160 cm层呈显著相关（P<0.05），这与树木蒸腾和土壤蒸发等综合作用有关。研究表明，由于两种人工林的树种组成、树冠大小、郁闭程度和根系分布等结构特征不同会导致林地土壤水分时空特征的异质性及其对环境因素响应的差异。     

The Pyrexia transient receptor potential channel mediates circadian clock synchronization to low temperature cycles in Drosophila melanogaster

Circadian clocks are endogenous approximately 24 h oscillators that temporally regulate many physiological and behavioural processes. In order to be beneficial for the organism, these clocks must be synchronized with the environmental cycles on a daily basis. Both light : dark and the concomitant daily temperature cycles (TCs) function as Zeitgeber (‘time giver’) and efficiently entrain circadian clocks. The temperature receptors mediating this synchronization have not been identified. Transient receptor potential (TRP) channels function as thermo-receptors in animals, and here we show that the Pyrexia (Pyx) TRP channel mediates temperature synchronization in Drosophila melanogaster. Pyx is expressed in peripheral sensory organs (chordotonal organs), which previously have been implicated in temperature synchronization. Flies deficient for Pyx function fail to synchronize their behaviour to TCs in the lower range (16–20°C), and this deficit can be partially rescued by introducing a wild-type copy of the pyx gene. Synchronization to higher TCs is not affected, demonstrating a specific role for Pyx at lower temperatures. In addition, pyx mutants speed up their clock after being exposed to TCs. Our results identify the first TRP channel involved in temperature synchronization of circadian clocks.     

Circular Thin-layer Chromatography of Oligosaccharides

The physicochemical properties and chemical constituents of the blue protein from rice bran were investigated. The blue protein was a copper-containing glycoprotein, the molecular weight of which was found to be 18,300 Daltons by the sedimentation equilibrium method assuming the partial specific volume 0.72 cm³ g^?1. The hexose and pentose contents were 5.49 and 4.01 g per 100 g protein respectively. The copper content was 0.38% which corresponded to 1.09 atoms per one molecule of the protein. The electron spin resonance spectrum showed that the copper was in a cupric state. The standard oxidation-reduction potential of the copper was found to be +275 mV at 20°C and at pH 7.39. The visible and near infrared absorption maxima were found at 450, 600 and 890 mμ, and the 450 mμ band was optically active in the optical rotatory dispersion exhibiting a large Cotton effect.     

Quantifying the relative importance of natural variables,human disturbance and spatial processes in ecological status indicators of boreal lakes

Spatial processes are increasingly associated with species distributions in freshwaters. However, these processes are usually neglected in bioassessment techniques, which may introduce uncontrolled variation in ecological indicators used to express human disturbance. We used partial linear regression to quantify the relative importance of natural variables, human disturbance and spatial variables in structuring variation in boreal lake status indicators based on six biological indicator groups (phytoplankton, macrophytes, diatoms, littoral and profundal macroinvertebrates and fish). We found that, of the pure fractions, human disturbance explained most variation (7–32%) of the ecological quality ratios (EQRs) for all groups, with the exception of littoral macroinvertebrate metric, which was most controlled by natural and spatial variables (15% and 16%, respectively). In addition, pure fractions of natural and spatial variables and joint fractions of different explanatory variable groups structured all biological metrics to various degrees. Phytoplankton, diatom and profundal macroinvertebrate EQRs responded purest to human disturbance but only weakly to pure natural or spatial variation. Our work demonstrates that spatial processes and spatial structuring of the environment can bias bioassessment techniques and hinder the detection of human impact. Thus, it is important to acknowledge spatial autocorrelation, context of metacommunity dynamics, species dispersal traits and variable spatial extent when defining reference conditions and bioassessment techniques for different biological groups. More research is needed to better understand the relative role of spatial processes on ecological metrics originated from different freshwater ecosystems. To this end, our work provides an example of how sources of variation can be identified to increase accuracy in freshwater bioassessment.     

Habitat ecological integrity and environmental impact assessment of anthropic activities: A GIS-based fuzzy logic model for sites of high biodiversity conservation interest

In literature, an effective method enabling the classification, based on a single indicator, of habitats that need a priority protection intervention has not been identified yet. Moreover, the excessive number of landscape metrics, used to quantify integrity of habitats, can cause confusion, often providing redundant and inconsistent results.The aim of this work is to develop a method for evaluating the ecological vulnerability of the habitats in sites of high biodiversity conservation interest. In the first phase, we selected and analyzed, by using principal component analysis (PCA) and fuzzy logic, the landscape metrics, in order to obtain the map of the intrinsic ecological vulnerability index. In the second step, the result of this intrinsic vulnerability was connected, through another fuzzy model, to anthropogenic impacts, obtaining the integrated ecological vulnerability index. We developed specific spatial indicators (landscape metrics), which can examine the mutual position and morphology of the habitats present, along with indicators of human pressure, related to the type and intensity of use of the anthropic territory, with reference to the habitat itself as well as to the areas immediately adjacent. The developed fuzzy models are innovative, compared to the current ecological studies, and examine landscape metrics as well as the impact of human activities.The case study is the “Val Basento-Ferrandina Scalo” Site of Community Importance, Ferrandina-SCI (Basilicata Region, Southern Italy). The results allowed us to build a rank of the habitats based on their intrinsic and integrated ecological vulnerability. Moreover, the results show that, in the Ferrandina-SCI, the most important source of concern is not human activities, but rather the inherent risk of ecological fragility caused by geographical and landscape features of the different patches of habitats themselves.This model aims to be a tool for decision support in sustainable landscape management. It is easy to use and to apply on other regions, although it should always be accompanied by a sensitivity analysis to reduce the subjectivity.     

Capturing ecological complexity: OCI,a novel combination of ecological indices as applied to benthic marine habitats

The novel Overall Complexity Index (OCI) is proposed to measure ecological complexity, incorporating four complexity indices: (1) exergy and (2) throughput as extensive metrics, (3) specific exergy and (4) information as intensive metrics. Exergy and specific exergy estimate structural complexity while throughput and information functional complexity. OCI was applied to benthic habitats in a coastal marine tract encompassing a Marine Protected Area (MPA) in north-western Italy. The four individual indices did not always show homogeneous results in assigning complexity to different habitats. On the contrary, the additive measure provided by OCI showed that seagrass meadows and coralligenous reefs are in all the most complex habitats. Applying OCI provided results consistent with traditional approaches based on expert judgement, which usually attach more interest to seagrass meadows and hard bottoms with respect to soft bottoms, but expressed a synthetic, objective and quantitative approach. OCI can be mapped for management purposes, resolving the discordances evidenced by the individual indices. Ecological complexity in the study area is concentrated in some hot spots, as mapped by OCI, while the greatest part of the seafloor is occupied by low complexity habitats. Only some of these complexity hotspots are included within the Marine Protected Area, while this study suggests that high complexity areas, adjacent to the existing MPA, should be considered for protection possibly reshaping MPA's limits.     

Indices of water deficit in susceptible and resistant cucumbers in response to infection by cucumber mosaic virus

Indices of water deficit were determined under conditions of non-limited water supply in cucumber mosaic virus (CMV)-infected seedlings of the susceptible cv. Bet Alpha. An increase in the concentration of soluble solids, decrease of water and osmotic potentials, and increase of proline concentration were found in the CMV-infected cotyledons. In the cv. Shimshon, which is resistant to CMV, virus infection caused only a slight change in the concentration of the soluble solids and in the osmotic potential; water potential and proline content were not affected. Concomitantly, infectivity of cotyledons by CMV was much lower in the tolerant cv. Shimshon than in the susceptible cv. Bet Alpha. The possible association of water deficit with virus-induced growth retardation is discussed.