Interaction of biologically relevant ions and organic molecules with titanium oxide (rutile) surfaces: A review on molecular dynamics studies

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Engineering novel protein interactions with therapeutic potential using deep learning-guided surface design

Anthony Marchand

Proteins are foundational biomolecules of life playing a crucial role in a myriad of biological processes. Their function often requires interplay with other biomolecules, including proteins themselves. Protein-protein interactions (PPIs) are essential for ...

EPFL2024

Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin models

David Daniel Girardier, Fabio Pietrucci, Sara Bonella

Rare events include many of the most interesting transformation processes in condensed matter, from phase transitions to biomolecular conformational changes to chemical reactions. Access to the corresponding mechanisms, free-energy landscapes and kinetic r ...

Aip Publishing2023

Atmospheric water harvesting in semi-arid regions by membranes: A techno-economic assessment

Kumar Varoon Agrawal, Marina Micari, Xuekui Duan

The availability of a reliable and sufficient amount of water constitutes one of the Sustainable Development Goals set by the United Nations. The provision of water is still challenging in many regions of the world, especially in arid and semi-arid regions ...

ELSEVIER2023

The Bioaccumulation of Ionizable Organic Compounds in Fish Cell Lines

Fabian Gerhard Peter Balk

Bioaccumulation is defined as the enrichment of a compound in an organism relative to the surrounding water or its food, and is an important endpoint in chemical risk assessment. Under laboratory conditions, bioaccumulation is measured as bioconcentration ...

EPFL2023

Synthetic Receptors with Micromolar Affinity for Chloride in Water

Kay Severin, Farzaneh Fadaei Tirani, Cesare Berton, Sylvain Alexandre Marie Sudan, Damien Wen Chen

A water-soluble coordination cage was obtained by reaction of Pd(NO3)2 with a 1,3-di(pyridin-3-yl)benzene ligand featuring a short PEG chain. The cavity of the metal-organic cage contains one nitrate anion, which is readily replaced by chloride. The appare ...

Wiley-VCH Verlag GmbH2023

Estimating pollution spread in water networks as a Schrödinger bridge problem with partial information

Isabel Haasler

Incidents where water networks are contaminated with microorganisms or pollutants can result in a large number of infected or ill persons, and it is therefore important to quickly detect, localize and estimate the spread and source of the contamination. In ...

Elsevier2023

Oxidative Water Treatment: The Track Ahead

Urs von Gunten

Chemical oxidation has been applied in municipal water treatment for more than a century, initially for disinfection. In the early decades, chlorine disinfection was adopted in the fight against waterborne disease. However, the oxidative properties of chlo ...

2023

Sunshine and a pinch of tropical soils: A natural, low-cost photo-Fenton variation for safer water, assisted by H2O2 or percabonate

César Pulgarin, Michaël Bensimon, Stefanos Giannakis, Thomas Guillaume

Clean water is essential for human survival, but access to safe drinking water remains a challenge in resource -limited regions. Herein, we explored a low-cost but effective solution for water potabilization using natural iron sources from soils along with ...

ELSEVIER2023

Ecosystem engineering by periphyton in Alpine proglacial streams

Tom Ian Battin, Davide Mancini

Stream periphytons are candidate ecosystem engineers in proglacial margins. Here, we quantify the extent to which they are engineers for the case of hillslope-fed tributaries in the terrace zones of proglacial margin alluvial plains. Candidate ecosystem en ...

WILEY2023

Industrial Biotechnology Conservation Processes: Similarities with Natural Long-Term Preservation of Biological Organisms

Corinne Scaletta, Lee Ann Laurent-Applegate, Philippe Abdel Sayed, Nathalie Hirt-Burri, Laurent Alexis Clément Vannay

Cryopreservation and lyophilization processes are widely used for conservation purposes in the pharmaceutical, biotechnological, and food industries or in medical transplantation. Such processes deal with extremely low temperatures (e.g., -196 degrees C) a ...

MDPI2023