Water, 1. Properties, Analysis, and Hydrological Cycle

Weingärtner, Hermann; Teermann, Ilka; Borchers, Ulrich; Balsaa, Peter; Lutze, Holger V.; Schmidt, Torsten; Franck, E. U.; Wiegand, G.; Dahmen, Nicolaus; Schwedt, Georg; Frimmel, Fritz H.; Gordalla, Birgit C.

doi:10.1002/14356007.a28_001.pub3

Cited by 6 publications

(1 citation statement)

References 75 publications

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“…Phase-behavior involving aqueous systems is of particular importance. For example, practically all biochemical reactions take place in an aqueous phase, which may require additional processing, purification, and formulation for a particular application . Water is an inexpensive, eco-friendly solvent capable of solvating a range of ionic, polar inorganic, and organic compounds, causing it to be a popular solvent in industrial processes …”

Section: Introductionmentioning

confidence: 99%

Assessment and Revision of the MOSCED Parameters for Water: Application to Limiting Activity Coefficients and Binary Liquid–Liquid Equilibrium

Dhakal

Paluch

2018

Ind. Eng. Chem. Res.

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Modified Separation of Cohesive Energy Density (MOSCED) is an attractive method for modeling phase-equilibria because it both can make quantitative predictions and give insight into the system’s underlying molecular-level interactions. While MOSCED predicts satisfactory values of limiting activity coefficients of organics in water, we find that predicted limiting activity coefficients for water (here the solute) in organic solvents shows a much greater disparity with reference data. Moreover, the error is systematic and increases as the value of the limiting activity coefficient increases. After detailed assessment of the MOSCED parameters for water, we find this is not a limitation of the model but results from how the parameters were regressed. As a consequence, in the present study we reregress MOSCED parameters for water which greatly improves the accuracy with which MOSCED may predict limiting activity coefficients of water in organic solvents, with the average absolute error decreasing from 3056.2% to 63.2%. The improvement is systematic, increasing as the value of the limiting activity coefficient increases. We additionally demonstrate the ability of the revised parameters to make improved binary liquid–liquid equilibrium calculations in aqueous systems.

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Section: Introductionmentioning

confidence: 99%

Assessment and Revision of the MOSCED Parameters for Water: Application to Limiting Activity Coefficients and Binary Liquid–Liquid Equilibrium

Dhakal

Paluch

2018

Ind. Eng. Chem. Res.

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The Climate of the Earth

2019

Climate Change Demystified

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Water and Life: The Medium is the Message

et al. 2021

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Water, the most abundant compound on the surface of the Earth and probably in the universe, is the medium of biology, but is much more than that. Water is the most frequent actor in the chemistry of metabolism. Our quantitation here reveals that water accounts for 99.4% of metabolites in Escherichia coli by molar concentration. Between a third and a half of known biochemical reactions involve consumption or production of water. We calculated the chemical flux of water and observed that in the life of a cell, a given water molecule frequently and repeatedly serves as a reaction substrate, intermediate, cofactor, and product. Our results show that as an E. coli cell replicates in the presence of molecular oxygen, an average in vivo water molecule is chemically transformed or is mechanistically involved in catalysis ~ 3.7 times. We conclude that, for biological water, there is no distinction between medium and chemical participant. Chemical transformations of water provide a basis for understanding not only extant biochemistry, but the origins of life. Because the chemistry of water dominates metabolism and also drives biological synthesis and degradation, it seems likely that metabolism co-evolved with biopolymers, which helps to reconcile polymer-first versus metabolism-first theories for the origins of life.

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Water, 1. Properties, Analysis, and Hydrological Cycle

Cited by 6 publications

References 75 publications

Assessment and Revision of the MOSCED Parameters for Water: Application to Limiting Activity Coefficients and Binary Liquid–Liquid Equilibrium

Assessment and Revision of the MOSCED Parameters for Water: Application to Limiting Activity Coefficients and Binary Liquid–Liquid Equilibrium

The Climate of the Earth

Water and Life: The Medium is the Message

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