32 research outputs found

    Studying Amphiphilic Self-assembly with Soft Coarse-Grained Models

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    A subdivision algorithm for phase equilibrium calculations at high pressures

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    Phase equilibrium calculations at high pressures have been a continuous challenge for scientists and engineers. Traditionally, this task has been performed by solving a system of nonlinear algebraic equations originating from isofugacity equations. The reliability and accuracy of the solutions are strongly dependent on the initial guess, especially due to the fact that the phase equilibrium problems frequently have multiple roots. This work is focused on the application of a subdivision algorithm for thermodynamic calculations at high pressures. The subdivision algorithm consists in the application of successive subdivisions at a given initial interval (rectangle) of variables and a systematic test to verify the existence of roots in each subinterval. If the interval checked passes in the test, then it is retained; otherwise it is discharged. The algorithm was applied for vapor-liquid, solid-fluid and solid-vapor-liquid equilibrium as well as for phase stability calculations for binary and multicomponent systems. The results show that the proposed algorithm was capable of finding all roots of all high-pressure thermodynamic problems investigated, independent of the initial guess used

    Land control and crop booms inside China: implications for how we think about the global land rush

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    This paper aims to broaden the scope of analysis of the contemporary global land rush by examining crop booms not only outside, but inside China; and investment flows not only from China, but also within and into China. It does so by examining the eucalyptus and sugarcane sectors in southern China, which have witnessed investment booms during the past decade, with capital being infused by both domestic capital and foreign capital, including Finnish, Indonesian, and Thai companies. Our argument addresses three key issues: (a) explaining why foreign and domestic companies enter into a multitude of lease and grower contracts involving holders of micro-plots, (b) revisiting the notion of extra-economic coercion, and (c) a critique of thinking about flows of large-scale investments centred primarily on nationality. These issues are central in current debates in the land grabs literature, and our study offers a different perspective from dominant narratives

    Nuisance compounds in cellular assays.

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    Compounds that exhibit assay interference or undesirable mechanisms of bioactivity (“nuisance compounds”) are routinely encountered in cellular assays, including phenotypic and high-content screening assays. Much is known regarding compound-dependent assay interferences in cell-free assays. However, despite the essential role of cellular assays in chemical biology and drug discovery, there is considerably less known about nuisance compounds in more complex cell-based assays. In our view, a major obstacle to realizing the full potential of chemical biology will not just be difficult-to-drug targets or even the sheer number of targets, but rather nuisance compounds, due to their ability to waste significant resources and erode scientific trust. In this review, we summarize our collective academic, government, and industry experiences regarding cellular nuisance compounds. We describe assay design strategies to mitigate the impact of nuisance compounds and suggest best practices to efficiently address these compounds in complex biological settings. Nuisance compounds can waste significant resources by producing promising bioactivities that are attributable to undesirable mechanisms of action. Addressing nuisance compounds is particularly challenging in cellular assays. Dahlin et al. summarize academic, government, and industry experiences with assay design and hit triage to specifically address cellular nuisance compounds
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