A growing produce bubble: United States produce tied to Mexico’s unsustainable agricultural water use by Sarah Hartman, Davide Danilo Chiarelli, Maria Cristina Rulli, Paolo D’Odorico

“…Using a global process-based crop water model, we find that between 1994 and 2015, rainwater (or ‘green’ water) and irrigation (or ‘blue’) water consumed in the production of crops increased by one fourth nationally, while water in crops exported to the US doubled. …”
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Handwashing and Ebola virus disease outbreaks: A randomized comparison of soap, hand sanitizer, and 0.05% chlorine solutions on the inactivation and removal of model organisms Phi6... by Marlene K Wolfe, Karin Gallandat, Kyle Daniels, Anne Marie Desmarais, Pamela Scheinman, Daniele Lantagne

“…We evaluated six handwashing protocols (soap and water, alcohol-based hand sanitizer (ABHS), and 0.05% sodium dichloroisocyanurate, high-test hypochlorite, and stabilized and non-stabilized sodium hypochlorite solutions) for 1) efficacy of handwashing on the removal and inactivation of non-pathogenic model organisms and, 2) persistence of organisms in rinse water. Model organisms E. coli and bacteriophage Phi6 were used to evaluate handwashing with and without organic load added to simulate bodily fluids. …”
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Hydrogeochemical Variability of the Acidic Springs in the Rio Tinto Headwaters by Christopher John Allman, David Gómez-Ortiz, Andrea Burke, Ricardo Amils, Nuria Rodriguez, David Fernández-Remolar

“…Fractionation patterns observed in δ²H and δ¹⁸O values predominantly reflected enrichment by intensive evaporation and depletion in δ¹⁸O as a result of the proposed sulfatic-water model for Rio Tinto’s hydrogeology. The analysis illustrates minimal hydrologic interconnectivity, evidenced by the extensive physical and chemical contrasts within such a small proximity.…”
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Soil water transformation regularity of farmland for typical crop in Beijing-Tianjin-Hebei region: Experimental and simulating analyses by Lu Chuiyu, Sun Qingyan, Cao Guoliang, Luan Qinghua, Yan Lingjia, Zhang Bo, Li Tianchen, Lai Bin

“…The experimental observation data were used to establish the soil water model, which is calibrated in many aspects, such as field water content change during the maize growth period, the soil profile water content distribution at different moments, maize leaf area index and plant height. …”
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Effect of Malus Domestica (Apple Peel) Extract on Peripheral Blood and Bone Marrow Cells of Prednisolone Treated Mice by Iram Kamal, Rizwan Faisal, Lubna Amer, Abdul Mudabbir Rehan, Sadia Chiragh

“…Normal control group was given distilled water. Model group was given prednisolone 4 mg/kg orally. …”
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Balanced Force Field ff03CMAP Improving the Dynamics Conformation Sampling of Phosphorylation Site by Bozitao Zhong, Ge Song, Hai-Feng Chen

“…For the solvent model, the results strongly suggest that the <i>ff03CMAP</i> force field with the <i>TIP4PD</i> water model is the best combination for the conformer sampling. …”
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Global-scale analysis of river flow alterations due to water withdrawals and reservoirs by P. Döll, K. Fiedler, J. Zhang

“…Six ecologically relevant flow indicators were quantified using an improved version of the global water model WaterGAP. WaterGAP simulated, with a spatial resolution of 0.5 degree, river discharge as affected by human water withdrawals and dams around the year 2000, as well as naturalized discharge without this type of human interference. …”
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Strength of Alkane–Fluid Attraction Determines the Interfacial Orientation of Liquid Alkanes and Their Crystallization through Heterogeneous or Homogeneous Mechanisms by Yuqing Qiu, Valeria Molinero

“…Here we use molecular simulations with the united-atom OPLS and PYS alkane models and the mW water model to determine what properties of the surface control the interfacial orientation of alkane molecules, and under which conditions interfacial ordering results in homogeneous or heterogeneous nucleation of alkane crystals, or surface freezing above the melting point. …”
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A weak-constraint 4DEnsembleVar. Part II: experiments with larger models by Michael Goodliff, Javier Amezcua, Peter Jan Van Leeuwen

“…The second part of this paper deals with experiments on larger and more complicated models, namely the Lorenz 1996 model and a modified shallow-water model with simulated convection, both of them under the presence of model error. …”
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Atomistic Simulation of Lysozyme in Solutions Crowded by Tetraethylene Glycol: Force Field Dependence by Donglin Liu, Yejie Qiu, Qing Li, Haiyang Zhang

“…This is mainly attributed to the strong intramolecular interactions of the protein in the Amber14SB force field and to the large viscosity of the a99SB-<i>disp</i> water model. The results indicate that the protein force fields and the viscosity of crowder solutions affect the simulation of biomolecules under crowding conditions.…”
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The effect of different evapotranspiration methods on portraying soil water dynamics and ET partitioning in a semi-arid environment in Northwest China by L. Yu, Y. Zeng, Z. Su, H. Cai, Z. Zheng

“…In this study, a soil water model, considering the coupled transfer of water, vapor, and heat in the soil, was used to investigate how different ET methods could affect the calculation of the soil water dynamics and ET partitioning in a crop field. …”
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Computational Study of Protein-Ligand Unbinding for Enzyme Engineering by Sérgio M. Marques, Sérgio M. Marques, David Bednar, David Bednar, Jiri Damborsky, Jiri Damborsky

“…The metadynamics and adaptive sampling methods were used to predict the relative order of kinetic rates in the different systems, while the absolute values depended significantly on the conditions used (method, force field, and water model). Free energy calculations provided the energetic landscape of the unbinding process. …”
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A comprehensive quasi-3-D model for regional-scale unsaturated–saturated water flow by W. Mao, Y. Zhu, H. Dai, M. Ye, J. Yang, J. Wu

“…However, it is still practically challenging for regional-scale problems due to the highly nonlinear and intensive input data needed for soil water modeling and the reliability of the coupling scheme. …”
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Dual‐permeability modeling of preferential flow and snowmelt partitioning in frozen soils by Aaron A. Mohammed, Edwin E. Cey, Masaki Hayashi, Michael V. Callaghan, Young‐Jin Park, Killian L. Miller, Steven K. Frey

“…This formulation was incorporated into the fully integrated groundwater–surface water model HydroGeoSphere, to represent water–ice phase change in macropores such that porewater freezing is governed by macropore–matrix heat exchange. …”
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Three-Dimensional Evolution of Mesoscale Anticyclones in the Lee of Crete by Artemis Ioannou, Alexandre Stegner, Franck Dumas, Briac Le Vu

“…As shown in the dynamical process study of Ioannou et al. (2020) which uses a simplified shallow-water model, we confirm here, using the CROCO (Coastal and Regional Ocean COmmunity) model, that the main oceanic response to the Etesian wind forcing is the formation of mesoscale anticyclones. …”
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MCNP simulation of X-ray beam for a 15 MV medical linear accelerator by DENG Lei, ZHOU Ning, QU Shugen, WANG Zhe, WANG Jian, CHEN Yishui, TU Yu, LIU Yongquan

“…Comparisons of those results with that of measured results at the same conditions in the three-dimensional (3D) water model were performed. In addition, the effects of different components on the X-ray energy spectrum and penetration ability were analyzed.ResultsThe simulation results of the PDD curves and profile curves are in good agreement with the measured results of 3D water tank. …”
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Polar vortex formation in giant planet atmospheres under moist convection by Emanuel, Kerry Andrew, Flierl, Glenn Richard, O'Neill, Morgan E

“…Here we use simulations with a shallow-water model to show that storm generation, driven by moist convection, can create a strong polar cyclone throughout the depth of a planet’s troposphere. …”
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Insight into the molecular mechanism of water evaporation via the finite temperature string method by Musolino, Nicholas, Trout, Bernhardt L.

“…In this work, we simulated water's evaporation using the classical extended simple point charge model water model, and identified a minimum free energy path for this process in terms of 10 descriptive order parameters. …”
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A theory for polar cyclones on giant planets by O'Neill, Morgan E

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Kinetic modeling and energy efficiency of UV/H2O2 treatment of iodinated trihalomethanes by Zhang, Lifeng, Yue, Junqi, Lim, Teik-Thye, Webster, Richard David, Xiao, Yongjun

“…The optimal H2O2 doses in deionized (DI) water, model natural water, and surface water are estimated at 5, 12, and 16 mg L−1, respectively, which correspond to the lowest total energy consumption (EE/Ototal) of 0.2, 0.31, and 0.45 kWhm−3order−1.…”
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