Density-functional study of LixMoS2 intercalates (0<=x<=1)

The stability of Lithium intercalated 2H- and 1T allotropes of Molybdenum disulfide (LixMoS2) is studied within a density-functional theory framework as function of the Li content (x) and the intercalation sites. Octahedral coordination of Li interstitials in the van der Waals gap is found as the most favorite for both allotropes. The critical content of Lithium, required for the initialization of a 2H->1T phase transition is estimated to x ~ 0.4. For smaller Li contents the hexagonal 2H crystal structure is not changed, while 1T-LixMoS2 compounds adopt a monoclinic lattice. All allotropic forms of LixMoS2 - excluding the monoclinic Li1.0MoS2 structure - show metallic-like character. The monoclinic Li1.0MoS2 is a semiconductor with a band gap of 1.1 eV. Finally, the influence of Li intercalation on the stability of multiwalled MoS2 nanotubes is discussed within a phenomenological model.Comment: submitted to Comput.Mater.Sc

The PELskin project: part II—investigating the physical coupling between flexible filaments in an oscillating flow

The fluid-structure interaction mechanisms of a coating composed of flexible flaps immersed in a periodically oscillating channel flow is here studied by means of numerical simulation, employing the Euler-Bernoulli equations to account for the flexibility of the structures. A set of passively actuated flaps have previously been demonstrated to deliver favourable aerodynamic impact when attached to a bluff body undergoing periodic vortex shedding. As such, the present configuration is identified to provide a useful test-bed to better understand this mechanism, thought to be linked to experimentally observed travelling waves. Having previously validated and elucidated the flow mechanism in Paper 1 of this series, we hereby undertake a more detailed analysis of spectra obtained for different natural frequency of structures and different configurations, in order to better characterize the mechanisms involved in the organized motion of the structures. Herein, this wave-like behaviour, observed at the tips of flexible structures via interaction with the fluid flow, is characterized by examining the time history of the filaments motion and the corresponding effects on the fluid flow, in terms of dynamics and frequency of the fluid velocity. Results indicate that the wave motion behaviour is associated with the formation of vortices in the gaps between the flaps, which itself are a function of the structural resistance to the cross flow. In addition, formation of vortices upstream of the leading and downstream of the trailing flap is seen, which interact with the formation of the shear-layer on top of the row. This leads to a phase shift in the wave-type motion along the row that resembles the observation in the cylinder case

Recent changes of water discharge and sediment load in the Yellow River basin, China

The Yellow River basin contributes approximately 6% of the sediment load from all river systems globally, and the annual runoff directly supports 12% of the Chinese population. As a result, describing and understanding recent variations of water discharge and sediment load under global change scenarios are of considerable importance. The present study considers the annual hydrologic series of the water discharge and sediment load of the Yellow River basin obtained from 15 gauging stations (10 mainstream, 5 tributaries). The Mann-Kendall test method was adopted to detect both gradual and abrupt change of hydrological series since the 1950s. With the exception of the area draining to the Upper Tangnaihai station, results indicate that both water discharge and sediment load have decreased significantly (p&lt;0.05). The declining trend is greater with distance downstream, and drainage area has a significant positive effect on the rate of decline. It is suggested that the abrupt change of the water discharge from the late 1980s to the early 1990s arose from human extraction, and that the abrupt change in sediment load was linked to disturbance from reservoir construction.Geography, PhysicalGeosciences, MultidisciplinarySCI(E)43ARTICLE4541-5613

Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics

Molybdenum disulfide (MoS2), a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS2 is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia

Diagnosing problems of fine sediment delivery and transfer in a lowland catchment

This paper is a product of research conducted within the REFORM collaborative project funded by the European Union Seventh Framework Programme under grant agreement 282656

Neuroprotective Effect of Inhaled Nitric Oxide on Excitotoxic-Induced Brain Damage in Neonatal Rat

BACKGROUND: Inhaled nitric oxide (iNO) is one of the most promising therapies used in neonates. However, little information is known about its impact on the developing brain submitted to excitotoxic challenge. METHODOLOGY/PRINCIPAL FINDINGS: We investigated here the effect of iNO in a neonatal model of excitotoxic brain lesions. Rat pups and their dams were placed in a chamber containing 20 ppm NO during the first week of life. At postnatal day (P)5, rat pups were submitted to intracranial injection of glutamate agonists. At P10, rat pups exposed to iNO exhibited a significant decrease of lesion size in both the white matter and cortical plate compared to controls. Microglia activation and astrogliosis were found significantly decreased in NO-exposed animals. This neuroprotective effect was associated with a significant decrease of several glutamate receptor subunits expression at P5. iNO was associated with an early (P1) downregulation of pCREB/pAkt expression and induced an increase in pAkt protein concentration in response to excitotoxic challenge (P7). CONCLUSION: This study is the first describe and investigate the neuroprotective effect of iNO in neonatal excitotoxic-induced brain damage. This effect may be mediated through CREB pathway and subsequent modulation of glutamate receptor subunits expression

How land use/land cover changes can affect water, flooding and sedimentation in a tropical watershed: a case study using distributed modeling in the Upper Citarum watershed, Indonesia

[EN] Human activity has produced severe LULC changes within the Upper Citarum watershed and these changes are predicted to continue in the future. With an increase in population parallel to a 141% increment in urban areas, a reduction of rice fields and the replacement of forests with cultivations have been found in the past. Accordingly, LCM model was used to forecast the LULC in 2029. A distributed model called TETIS was implemented in the Upper Citarum watershed to assess the impact of the different historical and future LULC scenarios on its water and sediment cycles. This model was calibrated and validated with different LULCs. For the implementation of the sediment sub-model, it was crucial to use the bathymetric information of the reservoir located at the catchment's outlet. Deforestation and urbanization have been shown to be the most influential factors affecting the alteration of the hydrological and sedimentological processes in the Upper Citarum watershed. The change of LULC decreases evapotranspiration and as a direct consequence, the water yield increased by 15% and 40% during the periods 1994-2014 and 2014-2029, respectively. These increments are caused by the rise of three components in the runoff: overland flow, interflow and base flow. Apart from that, these changes in LULC increased the area of non-tolerable erosion from 412 km(2) in 1994 to 499 km(2) in 2029. The mean sediment yield increased from 3.1 Mton -yr(-1) in the 1994 LULC scenario to 6.7 Mton-yr(-1) in the 2029 LULC scenario. An increment of this magnitude will be catastrophic for the operation of the Saguling Dam.This study was partially funded by the Spanish Ministry of Economy and Competitiveness through the research projects TETISMED (CGL2014-58,127-C3-3-R) and TETISCHANGE (RTI2018-093717-B-I00). The authors are also thankful to the Directorate General of Higher Education of Indonesia (DIKTI) for the Ph.D. funding of the first author.Siswanto, SY.; Francés, F. (2019). How land use/land cover changes can affect water, flooding and sedimentation in a tropical watershed: a case study using distributed modeling in the Upper Citarum watershed, Indonesia. Environmental Earth Sciences. 78(17):1-15. https://doi.org/10.1007/s12665-019-8561-0S115781

Early cellular signaling responses to axonal injury

<p>Abstract</p> <p>Background</p> <p>We have used optic nerve injury as a model to study early signaling events in neuronal tissue following axonal injury. Optic nerve injury results in the selective death of retinal ganglion cells (RGCs). The time course of cell death takes place over a period of days with the earliest detection of RGC death at about 48 hr post injury. We hypothesized that in the period immediately following axonal injury, there are changes in the soma that signal surrounding glia and neurons and that start programmed cell death. In the current study, we investigated early changes in cellular signaling and gene expression that occur within the first 6 hrs post optic nerve injury.</p> <p>Results</p> <p>We found evidence of cell to cell signaling within 30 min of axonal injury. We detected differences in phosphoproteins and gene expression within the 6 hrs time period. Activation of TNFα and glutamate receptors, two pathways that can initiate cell death, begins in RGCs within 6 hrs following axonal injury. Differential gene expression at 6 hrs post injury included genes involved in cytokine, neurotrophic factor signaling (Socs3) and apoptosis (Bax).</p> <p>Conclusion</p> <p>We interpret our studies to indicate that both neurons and glia in the retina have been signaled within 30 min after optic nerve injury. The signals are probably initiated by the RGC soma. In addition, signals activating cellular death pathways occur within 6 hrs of injury, which likely lead to RGC degeneration.</p

A national cross-sectional study among drug-users in France: epidemiology of HCV and highlight on practical and statistical aspects of the design

<p>Abstract</p> <p>Background</p> <p>Epidemiology of HCV infection among drug users (DUs) has been widely studied. Prevalence and sociobehavioural data among DUs are therefore available in most countries but no study has taken into account in the sampling weights one important aspect of the way of life of DUs, namely that they can use one or more specialized services during the study period. In 2004–2005, we conducted a national seroepidemiologic survey of DUs, based on a random sampling design using the Generalised Weight Share Method (GWSM) and on blood testing.</p> <p>Methods</p> <p>A cross-sectional multicenter survey was done among DUs having injected or snorted drugs at least once in their life. We conducted a two stage random survey of DUs selected to represent the diversity of drug use. The fact that DUs can use more than one structure during the study period has an impact on their inclusion probabilities. To calculate a correct sampling weight, we used the GWSM. A sociobehavioral questionnaire was administered by interviewers. Selected DUs were asked to self-collect a fingerprick blood sample on blotting paper.</p> <p>Results</p> <p>Of all DUs selected, 1462 (75%) accepted to participate. HCV seroprevalence was 59.8% [95% CI: 50.7–68.3]. Of DUs under 30 years, 28% were HCV seropositive. Of HCV-infected DUs, 27% were unaware of their status. In the month prior to interview, 13% of DUs shared a syringe, 38% other injection parapharnelia and 81% shared a crack pipe. In multivariate analysis, factors independently associated with HCV seropositivity were age over 30, HIV seropositivity, having ever injected drugs, opiate substitution treatment (OST), crack use, and precarious housing.</p> <p>Conclusion</p> <p>This is the first time that blood testing combined to GWSM is applied to a DUs population, which improve the estimate of HCV prevalence. HCV seroprevalence is high, indeed by the youngest DUs. And a large proportion of DUs are not aware of their status. Our multivariate analysis identifies risk factors such as crack consumption and unstable housing.</p