Publications related to Solution (chemistry)

Stable cones in the thin one-phase problem

The aim of this work is to study homogeneous stable solutions to the thin (or fractional) one -phase free boundary problem. The problem of classifying stable (or minimal) homogeneous solutions in dimensions n >= 3 is completely open. In this context, axial ...

Johns Hopkins Univ Press2024

Excited State-Specific CASSCF Theory for the Torsion of Ethylene

State-specific complete active space self-consistent field (SS-CASSCF) theory has emerged as a promising route to accurately predict electronically excited energy surfaces away from molecular equilibria. However, its accuracy and practicality for chemical ...

Amer Chemical Soc2024

Multi-year time series of daily solute and isotope measurements from three Swiss pre-Alpine catchments

Jana Freiin von Freyberg

Time series analyses of solute concentrations in streamwater and precipitation are powerful tools for unraveling the interplay of hydrological and biogeochemical processes at the catchment scale. While such datasets are available for many sites around the ...

Nature Portfolio2024

Solution-based Cu+ transient species mediate the reconstruction of copper electrocatalysts for CO2 reduction

Raffaella Buonsanti, Anna Loiudice, Petru Pasquale Albertini, Jan Vávra, Gaétan Philippe Louis Ramona

Understanding metal surface reconstruction is of the utmost importance in electrocatalysis, as this phenomenon directly affects the nature of available active sites. However, its dynamic nature renders surface reconstruction notoriously difficult to study. ...

Nature Portfolio2024

Solute-strengthening in metal alloys with short-range order

William Curtin, Shankha Nag

Recent surging interest in strengthening of High Entropy Alloys (HEAs) with possible chemical ordering motivates the development of new theory. Here, an existing theory for random alloys that accounts for solute-dislocation and solute–solute interactions i ...

2024

Stable MXene Dough with Ultrahigh Solid Fraction and Excellent Redispersibility toward Efficient Solution Processing and Industrialization

Frank Nüesch, Jakob Heier, Shungui Deng

Two-dimensional (2D) transition metal carbides, and/or nitrides, so-called MXenes, have triggered intensive research interests in applications ranging from electrochemical energy storage to electronics devices. Producing these functional devices by printin ...

WILEY2023

Enhanced Leaching of Zinc Ferrite by the Formation of a Solid Solution With Magnetite in Hydrochloric Acid Solution

The high zinc and iron contents of electric arc furnace (EAF) dust in the forms of zinc ferrite (ZnFe2O4) and magnetite (Fe3O4) make it a valuable secondary source of these metals. ZnFe2O4 and Fe3O4 are known to form a solid solution at all compositions, a ...

SPRINGER2023

Revealing the Structure of Tryptophan in Microhydrated Complexes by Cold Ion Spectroscopy

Natalia Nagornova, Oleg Boyarkine, Andrei Zviagin, Ruslan Yamaletdinov, Manuel Dömer

The geometry of biomolecules isolated in the gas phaseusuallydiffers substantially from their native structures in aqueous solution,which are the only ones truly relevant to life science. To connectthe high resolution of cold ion spectroscopy that can be a ...

2023

Neurometabolic profiles of bile duct ligated rats after the treatment with an urease inhibitor – 1H MRS dataset

Cristina Ramona Cudalbu, Dunja Simicic

1H MRS in the cerebellum was used to study the effect of 2-octynohydroxamic acid (2-octynoHA) treatment on the brain of bile duct ligated (BDL) rats (type C hepatic encephalopathy). The study included four groups of rats: negative control group (rats recei ...

Zenodo2023

Using continuous electrical conductivity measurements to derive major solute concentrations in karst systems

Paolo Benettin

Hydrochemical data of karst springs provide valuable insights into the internal hydrodynamical functioning of karst systems and support model structure identification. However, the collection of high-frequency time series of major solute species is limited ...

WILEY2023

Salt Bridge Structure of Microhydrated Arginine Kinetically Trapped in the Gas Phase by Evaporative Cooling

Oleg Boyarkine, Andrei Zviagin

Aminoacids and peptides generally exhibit zwitterionic forms withsalt bridge (SB) structures in solution but charge-solvated (CS) motifsin the gas phase. Here, we report a study of non-covalent complexesof the protonated amino acid arginine, ArgH(+)(H2O)( ...

2023

Mechanism of Reduction of Aqueous U(V)-dpaea and Solid-Phase U(VI)-dpaea Complexes: The Role of Multiheme c-Type Cytochromes

Marinella Mazzanti, Rizlan Bernier-Latmani, Karin Lederballe Meibom, Margaux Camille Andréa Molinas, Radmila Faizova

The biological reduction of soluble U(VI) complexes to form immobile U(IV) species has been proposed to remediate contaminated sites. It is well established that multiheme c-type cytochromes (MHCs) are key mediators of electron transfer to aqueous phase U( ...

2023

Homogenization theory captures macroscopic flow discontinuities across Janus membranes

François Gallaire, Pier Giuseppe Ledda, Giuseppe Antonio Zampogna, Kevin Wittkowski

Janus membranes, thin permeable structures with chemical and geometrical asymmetric properties, show great potential in industrial separation processes. Yet the link between the micro- and macro-scale behaviours of these membranes needs to be established r ...

Cambridge University Press2023

Directed mean curvature flow in noisy environment

Martin Hairer

We consider the directed mean curvature flow on the plane in a weak Gaussian random environment. We prove that, when started from a sufficiently flat initial condition, a rescaled and recentred solution converges to the Cole-Hopf solution of the KPZ equati ...

Wiley2023

Advances in hydration and thermodynamics of cementitious systems

Karen Scrivener, Patrick Juilland, Aslam Kunhi Mohamed, Fabien Jacques Michel Georget, Thomas Matschei

Optimising the hydration of cementitious materials is crucial to leverage their full potential and avoid wasting resources, embodied energy and CO2. Understanding the fundamental mechanisms is key to reach these objectives. In this paper, we review progres ...

Pergamon-Elsevier Science Ltd2023

Nanoliter Liquid Packaging in a Bioresorbable Microsystem by Additive Manufacturing and its Application as a Controlled Drug Delivery Device

Jürgen Brugger, Arnaud Bertsch, Cristina Martin Olmos, Jongeon Park

Precise packaging of nanoliter amounts of liquid in a microsystem is important for many biomedical applications. However, existing liquid encapsulation technologies have limitations in terms of liquid waste, evaporation, trapped bubbles, and liquid degrada ...

2023

Architecturally Diverse Polymer Brushes Prepared via Surface-Initiated Atom Transfer Radical Polymerization

Sabrina Sant

Polymer brushes, which are polymers anchored to a solid substrate by one chainend, have the ability to modify the properties of an underlying substrate, offering intriguing features such as enhanced lubrication, reduced friction, colloidal stability, and a ...

EPFL2023

Fixing by Mixing: A Recipe for Optimal Byzantine ML under Heterogeneity

Rachid Guerraoui, John Stephan, Sadegh Farhadkhani, Youssef Allouah, Nirupam Gupta, Rafaël Benjamin Pinot

Byzantine machine learning (ML) aims to ensure the resilience of distributed learning algorithms to misbehaving (or Byzantine) machines. Although this problem received significant attention, prior works often assume the data held by the machines to be homo ...

PMLR2023

Advancing first principle-based molecular dynamics of biological systems with machine learning

François Louis Mouvet

Molecular dynamics (MD) simulations have emerged as a transformative approach to analyse molecular systems at the atomic level, offering valuable insights into complex biological processes. Many biological phenomena can only accurately be described by inco ...

EPFL2023

Development of a magnetic calcium-alginate hydrogel-sphere encapsulated with Fe-Mn-Zr ternary metal composite for heavy metal adsorption

Xinyi Huang

Heavy metal contamination has become one of the greatest global environmental problems. In this study, a magnetic calcium-alginate hydrogel-sphere encapsulated with Fe-Mn-Zr ternary-metal composite (MCHETC) was prepared through a combined co-precipitation ...

2023