Which mechanism underlies the water-like anomalies in core-softened potentials?

Using molecular dynamics simulations we investigate the thermodynamic of particles interacting with a continuous and a discrete versions of a core-softened (CS) intermolecular potential composed by a repulsive shoulder. Dynamic and structural properties are also analyzed by the simulations. We show that in the continuous version of the CS potential the density at constant pressure has a maximum for a certain temperature. Similarly the diffusion constant, $D$, at a constant temperature has a maximum at a density $\rho_{\mathrm{max}}$ and a minimum at a density $\rho_{\mathrm{min}}<\rho_{\mathrm{max}}$, and structural properties are also anomalous. For the discrete CS potential none of these anomalies are observed. The absence of anomalies in the discrete case and its presence in the continuous CS potential are discussed in the framework of the excess entropy.Comment: 8 page

Carcass Characteristics Of Purebred And Crossbred Nellore Females Fed Solely Pasture

This research aimed to compare carcasses of purebred and crossbred Nellore females reared uniquely on pasture (Brachiaria decumbens and Brachiaria brizantha cv. Marandu). Breeds assessed consisted of purebred Nellore (16) and Nellore x Santa Gertrudis crossbred (16), being 32 ± 1.5 months old. All animals were slaughtered as they reached 450 kg. Crossbred females showed higher slaughter, hot and cold carcass weights and longer lengths (P < 0.05). Conversely, purebred animals attained greater carcass yields (P < 0.05). Nonetheless, crossbred females had higher primal cut weights and plate/ flank percentage (P < 0.05). Also, non-carcass components as kidneys, liver, kidney-pelvic-heart fat showed higher weights for crossbred females (P < 0.05). Thus, regarding beef cattle reared and finished exclusively on grazing areas, crossbred females (Nellore x Santa Gertrudis) may be the most profitable ones for cattle raisers, since they produce heavier slaughtering carcasses. Notwithstanding, they might be interesting for meat industry, for yielding more in prime cuts than purebreds, even if raised at the same conditions and slaughtered at same age.3764213422

Metodologia Teclim Para Uso Racional De água Na Indústria: O Banco De Ideias No Contexto Da Metodologia Front-end Loading

The bank of ideas (BI) is a TECLIM tool for environmental optimization of industrial processes. It is conceptually associated with the front-end loading (FEL) methodology, which pays particular attention to the initial stage of identification and selection of alternatives of water use, increasing the chances of a project´s success, avoiding wasted or badly allocated resources. The BI covers FEL 1 stage, in which the ideas are invited, followed by stage FEL 2, in which the opportunities selected are developed into conceptual projects. The method of giving priorities to the opportunities in the BI is presented, showing the synergy with FEL. The application of the BI enabled the register and process of 500 ideas with the potential to reduce water consumption by 1.4 × 103 t.h- 1 and effluents by at least 0.5 × 103 t.h- 1. The BI tool helps to identify the most attractive and sustainable conceptual projects. © 2016, ABES - Associacao Brasileira de Engenharia Sanitaria e Ambiental. All rights reserved.21475376

Nonlinear stability of solitons against strong external perturbations

We study soliton stability under the action of strong external perturbations. Limits on the weak perturbation approach are established with the help of average Lagrangian methods and full simulations. We found that for the same relative perturbation, larger amplitude solitons develop instability earlier than weaker amplitude solitons.F. B. Rizzato, G. I. de Oliveira, and A. C.-L. Chia

Green manure in coffee systems in the region of Zona da Mata, Minas Gerais: characteristics and kinetics of carbon and nitrogen mineralization.

The use of green manure may contribute to reduce soil erosion and increase the soil organic matter content and N availability in coffee plantations in the Zona da Mata, State of Minas Gerais, in Southeastern Brazil. The potential of four legumes (A. pintoi, C. mucunoides, S. aterrimum and S. guianensis)to produce above-ground biomass, accumulate nutrients and mineralize N was studied in two coffee plantations of subsistence farmers under different climate conditions. The biomass production of C. mucunoides was influenced by the shade of the coffee plantation.C. mucunoides tended to mineralize more N than the other legumes due to the low polyphenol content and polyphenol/N ratio. In the first year, the crop establishment of A. pintoi in the area took longer than of the other legumes, resulting in lower biomass production and N2 fixation. In the long term, cellulose was the main factor controlling N mineralization. The biochemical characteristics, nutrient accumulation and biomass production of the legumes were greatly influenced by the altitude and position of the area relative to the sun

Atrial Natriuretic Factor: Is It Responsible For Hyponatremia And Natriuresis In Neurosurgery?

To evaluate the presence of hyponatremia and natriuresis and their association with atrial natriuretic factor in neurosurgery patients. Methods: The study included 30 patients who had been submitted to intracranial tumor resection and cerebral aneurism clipping. Both plasma and urinary sodium and plasma atrial natriuretic factor were measured during the preoperative and postoperative time periods. Results: Hyponatremia was present in 63.33% of the patients, particularly on the first postoperative day. Natriuresis was present in 93.33% of the patients, particularly on the second postoperative day. Plasma atrial natriuretic factor was increased in 92.60% of the patients in at least one of the postoperative days; however, there was no statistically significant association between the atrial natriuretic factor and plasma sodium and between the atrial natriuretic factor and urinary sodium. Conclusion: Hyponatremia and natriuresis were present in most patients after neurosurgery; however, the atrial natriuretic factor cannot be considered to be directly responsible for these alterations in neurosurgery patients. Other natriuretic factors are likely to be involved.28215416

Chlorination of a Zeolitic-Imidazolate Framework Tunes Packing and van der Waals Interaction of Carbon Dioxide for Optimized Adsorptive Separation

The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/jacs.0c08942.L.H.W. acknowledges the Fonds Wetenschappelijk Onderzoek (FWO) - Vlaanderen for a senior postdoctoral research fellowship and International Mobility fellowship under contract numbers of 12M1418N and V402319N, respectively. S.V.D.B., S.M.J.R., and J.W. acknowledge Fonds Wetenschappelijk Onderzoek (FWO) - Vlaanderen for Grants 11U1914N, 12T3519N, and 1103618N as well as the Research Board of Ghent University (BOF). J.A.R.N. acknowledges generous funding from the Spanish Ministry of Economy (CTQ2014- 53486-R) and FEDER from the European Union. Funding was also received from the European Union’s Horizon 2020 Research and Innovation Programme [ERC Consolidator Grant Agreement 647755 - DYNPOR (2015−2020)]. J.A.M. and C.E.A.K. gratefully acknowledge financial support from the Flemish Government (Long-term structural funding Methusalem and FWO support). Collaboration among universities was supported by the Belgian Government (IAP-PAI network).Molecular separation of carbon dioxide (CO2) and methane (CH4) is of growing interest for biogas upgrading, carbon capture and utilization, methane synthesis and for purification of natural gas. Here, we report a new zeolitic-imidazolate framework (ZIF), coined COK-17, with exceptionally high affinity for the adsorption of CO2 by London dispersion forces, mediated by chlorine substituents of the imidazolate linkers. COK-17 is a new type of flexible zeolitic-imidazolate framework Zn(4,5-dichloroimidazolate)(2) with the SOD framework topology. Below 200 K it displays a metastable closed-pore phase next to its stable open-pore phase. At temperatures above 200 K, COK-17 always adopts its open-pore structure, providing unique adsorption sites for selective CO2 adsorption and packing through van der Waals interactions with the chlorine groups, lining the walls of the micropores. Localization of the adsorbed CO2 molecules by Rietveld refinement of X-ray diffraction data and periodic density functional theory calculations revealed the presence and nature of different adsorption sites. In agreement with experimental data, grand canonical Monte Carlo simulations of adsorption isotherms of CO2 and CH4 in COK-17 confirmed the role of the chlorine functions of the linkers and demonstrated the superiority of COK-17 compared to other adsorbents such as ZIF-8 and ZIF-71.FWO 12M1418N V402319N 11U1914N 12T3519N 1103618NSpanish Ministry of Economy CTQ201453486-RFEDER from the European UnionEuropean Union's Horizon 2020 Research and Innovation Programme [ERC] 647755 - DYNPORFlemish Government (Long-term structural funding Methusalem)FWOBelgian Government (IAP-PAI network

Isotope tracing of submarine groundwater discharge offshore Ubatuba, Brazil : results of the IAEA–UNESCO SGD project

Author Posting. © Elsevier B.V., 2008. This is the author's version of the work. It is posted here by permission of Elsevier B.V. for personal use, not for redistribution. The definitive version was published in Journal of Environmental Radioactivity 99 (2008): 1596-1610, doi:10.1016/j.jenvrad.2008.06.010.Results of groundwater and seawater analyses for radioactive (3H, 222Rn, 223Ra, 224Ra, 226Ra, 228Ra) and stable (2H, 18O) isotopes are presented together with in situ spatial mapping and time-series 222Rn measurements in seawater, direct seepage measurements using manual and automated seepage meters, pore water investigations using different tracers and piezometric techniques, and geoelectric surveys probing the coast. This study represents first time that such a new complex arsenal of radioactive and non-radioactive tracer techniques and geophysical methods have been used for simultaneous submarine groundwater discharge (SGD) investigations. Large fluctuations of SGD fluxes were observed at sites situated only a few meters apart (from 0 cm d-1 to 360 cm d-1; the unit represents cm3/cm2/day), as well as during a few hours (from 0 cm d-1 to 110 cm d-1), strongly depending on the tidal fluctuations. The average SGD flux estimated from continuous 222Rn measurements is 17±10 cm d-1. Integrated coastal SGD flux estimated for the Ubatuba coast using radium isotopes is about 7x103 m3 d-1 per km of the coast. The isotopic composition (δ2H and δ18O) of submarine waters was characterised by significant variability and heavy isotope enrichment, indicating that the contribution of groundwater in submarine waters varied from a small percentage to 20%. However, this contribution with increasing offshore distance became negligible. Automated seepage meters and time-series measurements of 222Rn activity concentration showed a negative correlation between the SGD rates and tidal stage. This is likely caused by sea level changes as tidal effects induce variations of hydraulic gradients. The geoelectric probing and piezometric measurements contributed to better understanding of the spatial distribution of different water masses present along the coast. The radium isotope data showed scattered distributions with offshore distance, which imply that seawater in a complex coast with many small bays and islands was influenced by local currents and groundwater/seawater mixing. This has also been confirmed by a relatively short residence time of 1-2 weeks for water within 25 km offshore, as obtained by short-lived radium isotopes. The irregular distribution of SGD seen at Ubatuba is a characteristic of fractured rock aquifers, fed by coastal groundwater and recirculated seawater with small admixtures of groundwater, which is of potential environmental concern and has implications on the management of freshwater resources in the region.This research was supported by IAEA and UNESCO (IOC and IHP) in the framework of the joint SGD project. Science support for some U.S. investigators was provided by grants from the National Science Foundation (OCE03-50514 to WCB and OCE02-33657 to WSM)