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Significant changes in pre-dialytic partial pressure of CO (pCO) during a week-long cycle of hemodialysis (HD) can be an effect of the intermittent supplementation of bicarbonate to correct chronic acidosis in patients. Mathematical modeling efforts carried out using the same parameters before each HD session might fail to produce accurate predictions of pCO and plasma bicarbonate concentration (C) because of this variability. A numerical model describing acid-base equilibrium changes during HD was applied to predict pCO, pH, and C in 24 chronic HD patients, using both fixed parameters for the whole week and estimating a new value of minute ventilation (V) and net acid generation rate (G) for each interdialytic interval.

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How To Correct Erroneous Symmetry-Breaking in Coarse-Grained Constant-pH Simulations.

J Chem Theory Comput

January 2025

Institute for Computational Physics, University of Stuttgart, Allmandring 3, Stuttgart 70569, Germany.

The constant-pH Monte Carlo method is a popular algorithm to study acid-base equilibria in coarse-grained simulations of charge regulating soft matter systems including weak polyelectrolytes and proteins. However, the method suffers from systematic errors in simulations with explicit ions, which lead to a symmetry-breaking between chemically equivalent implementations of the acid-base equilibrium. Here, we show that this artifact of the algorithm can be corrected a-posteriori by simply shifting the pH-scale.

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The endoplasmic reticulum (ER) is a vital organelle responsible for protein quality control, including the folding, modification, and transport of proteins. When misfolded or unfolded proteins accumulate in the ER, it triggers endoplasmic reticulum stress (ERS) and activates the unfolded protein response (UPR) to restore ER homeostasis. However, prolonged or excessive ERS can lead to apoptosis.

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Adsorption and immobilization of phosphorus in eutrophic lake water and sediments by a novel red soil based porous aerogel.

Water Res

December 2024

Key Laboratory of Poyang Lake Environment and Resource Utilization, Engineering Research Center of Watershed Carbon Neutralization, Ministry of Education, School of Resource and Environment, Nanchang University, Nanchang 330031, China. Electronic address:

To effectively mitigate global eutrophication in lakes, regulating sedimentary phosphorus release remains a primary strategy. Enhancing the adsorption and stabilization performance of passivating agents is integral to addressing endogenous phosphorus pollution in aquatic systems. This study presents a novel aerogel with a high specific surface area (663.

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