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When adsorbing guest molecules, the porous metal-organic framework MIL-53(Cr) may vary its cell parameters drastically while retaining its crystallinity. A first approach to the thermodynamic analysis of this "framework breathing" consists of comparing the ...
Many chemical and biochemical industries utilize chemical reaction processes to get desired products from raw materials. Common examples include reaction systems used to manufacture pharmaceutical drugs, vaccines and other chemicals. A chemical reaction sy ...
We have developed a consistently reduced core model for HeLa based on the genome scale human reconstruction. This reduced model includes the central carbon pathways, the electron transport chains, all the necessary transport and exchange reactions and the ...
This article is an adapted version of the introductory chapter of a book whose publication is imminent. It bears the title "Biothermodynamics - The role of thermodynamics in biochemical engineering." The aim of the paper is to give a very short overview of ...
The enthalpically favoured hydration of hydrophobic entities, termed hydrophobic hydration, impacts the phase behaviour of numerous amphiphiles in water. Here, we show experimental evidence that hydrophobic hydration is strongly determined by the mean ener ...
The increasing availability of large metabolomics datasets enhances the need for computational methodologies that can organize the data in a way that can lead to the inference of meaningful relationships. Metabolic models comprising the entirety of reactio ...
The thermodynamics and dynamics of supercooled liquids correlate with their elasticity. In particular for covalent networks, the jump of specific heat is small and the liquid is strong near the threshold valence where the network acquires rigidity. By cont ...
70-kDa Heat shock proteins are ATP-driven molecular chaperones that perform a myriad of essential cellular tasks. Although structural and biochemical studies have shed some light on their functional mechanism, the fundamental issue of the role of energy co ...
In this paper, a detailed density functional theory analysis of oxygen binding to Mg(0001) and subsequent clustering is presented. Oxygen monomer adsorption to Mg(0001) is demonstrated to be subsurface. It is shown that magnesium mediates an attractive oxy ...
The Second Law of thermodynamics is known to be an essential guide for the improvement of energy conversion systems. Throughout the years it has been applied to various engineering methods in particular in methods based on exergy [1] including the 2nd Law, ...