Water resource security is an important condition for socio-economic development. Recently, the process of urbanization brings increasing pressures on water resources. Thus, a good understanding of harmonious development of urbanization and water resource security (WRS) systems is necessary. This paper examined the coordination state between urbanization and WRS and its obstacle factors in Beijing city, utilizing the improved coupling coordination degree (ICCD) model, obstacle degree model, and indicator data from 2008 to 2017. Results indicated that: (1) The coupling coordination degree between WRS and urbanization displayed an overall upward tendency during the 2008–2017 period; the coupling coordination state has changed from an imbalanced state into a good coordination state, experiencing from a high-speed development stage (2008–2010), through a steady growth stage (2010–2014), towards a low-speed growth (2014–2017). (2) In urbanization system, both the social and spatial urbanizations have the greatest obstruction to the development of urbanization-WRS system. The subsystems of pressure and state are the domain obstacle subsystems in WRS system. These results can provide important support for urban planning and water resource protection in the future, and hold great significance for urban sustainable development.

Molecular simulation methods, such as molecular docking, molecular dynamic (MD) simulation, and quantum chemical (QC) calculation, have become popular as characterization and/or virtual screening tools because they can visually display interaction details that in vitro experiments can not capture and quickly screen bioactive compounds from large databases with millions of molecules. Currently, interdisciplinary research has expanded molecular simulation technology from computer aided drug design (CADD) to food science. More food scientists are supporting their hypotheses/results with this technology. To understand better the use of molecular simulation methods, it is necessary to systematically summarize the latest applications and usage trends of molecular simulation methods in the research field of food science. However, this type of review article is rare. To bridge this gap, we have comprehensively summarized the principle, combination usage, and application of molecular simulation methods in food science. We also analyzed the limitations and future trends and offered valuable strategies with the latest technologies to help food scientists use molecular simulation methods.

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The performance of the regional water environment integrated governance is affected by many factors. This study took place in Henan Province, China, as the research area, and constructed an index system through the comprehensive consideration of three target layers based on the Ecological-Social-Economic (ESE) framework. Due to advantages such as strong objectivity and operability, the improved entropy-weight technique for the order of preference by similarity to the ideal solution (TOPSIS) model can greatly overcome subjective human interference and render the evaluation results more reliable. Therefore, it was introduced to evaluate the water environment integrated governance in Henan from 2007 to 2016. By applying the obstacle degree model, the obstacle factors were then diagnosed. The results of this study show that the overall performance of the integrated governance was generally improved in Henan from 2007 to 2016. Performance levels of the three target layers exhibited different trends, of which the social and economic benefits presented a linear increase year by year, but the ecological benefits presented a fluctuating downward trend. The obstacle on the Henan water environment integrated governance mainly comes from the ecological and economic benefits index. Therefore, a series of countermeasures have been proposed as a means of improving the governance performance in Henan.the new era. To promote the construction of ecological civilization, the governance of environmental pollution must be accelerated as soon as possible. In this study, research into the issue of water environment integrated governance has gradually become a focal point. The formulation of a scientific and reasonable mechanism to evaluate the performance of water environment integrated governance is currently a significant issue in both the theory and practice of water environment improvement.The shortage and serious pollution of water resources are severe obstacles to meeting the demand for clean water [5,6]. Academic research on the water environment governance from different perspectives has been emerging in an endless stream [7]. At present, the research mainly includes the vulnerability of water resources [8], evaluation of water quality [9], and methods of urban water governance [10]. The construction of evaluation indexes has gradually changed from the traditional viewpoint of 'water ecological' to the more comprehensive evaluation of ecology, society and economics [11,12]. For example, Fekete and Stakhiv studied the establishment of such indicators for a performance evaluation index system, and outlined a conceptual framework for indicators suitable to guiding both the water management planning as well as implementation evaluation [13]. On the basis of the ILBM (Lake Basin Management Initiative), Chidammodzi and Muhandiki built an indicator system from two aspects, namely the water resource subsystems and socioeconomic subsystems for the evaluation of water environment governance in the Lake Malawi Basin [14].The existing rese...

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