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17O nuclear quadrupole coupling constants of water bound to a metal ion: A gadolinium(III) case study

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Metal-Stabilized Boronate Ester Cages

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Erica Giraldi

Molecular cages with arylboronate ester caps at the vertices are described. The cages were obtained by metal-templated polycondensation reactions of a tris(2-formylpyridine oxime) ligand with arylboronic acids. Suited templates are triflate or triflimide s ...

2021

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

Using collective knowledge to assign oxidation states of metal cations in metal-organic frameworks

Berend Smit, Seyedmohamad Moosavi, Kevin Maik Jablonka, Daniele Ongari

Knowledge of the oxidation state of metal centres in compounds and materials helps in the understanding of their chemical bonding and properties. Chemists have developed theories to predict oxidation states based on electron-counting rules, but these can f ...

NATURE RESEARCH2021

Uncovering the Activity of Alkaline Earth Metal Hydrogenation Catalysis Through Molecular Volcano Plots

Shubhajit Das

Recent advances in alkaline earth (Ae) metal hydrogenation catalysis have broadened the spectrum of potential catalysts to include candidates from the main group, providing a sustainable alternative to the commonly used transition metals. Although Ae-amide ...

2022

Computational Studies of the Proton-Coupled Metal Ion Transport in the SLC11/NRAMP Family of Transporters

Maria Letizia Merlini

In the last years, it has been demonstrated a link between the overload of metal ions inside nervous system cells and the onset of severe neurodegenerative diseases. This prompted the investigation of the structural and functional properties of transporter ...

EPFL2022

Shape retaining self-healing metal-coordinated hydrogels

Esther Amstad, Raffaele Mezzenga, Alvaro Lino Boris Charlet

Metal-coordinated hydrogels are physical hydrogels entirely crosslinked by complexes between ligand decorated polymers and metal ions. The mechanical properties of these hydrogels strongly depend on the density and dynamics of metal-coordinated interaction ...

2021

Stabilizing Unusual Oxidation States of Lanthanides in Molecular Complexes: Synthesis, Properties, and Reactivity

Aurélien René Willauer

The chemistry of divalent lanthanides has generated increasing interest in the past years due to their redox properties and unique reaction pathways. Notably, molecular complexes of low-valent lanthanides have been shown to be suitable one-electron reducta ...

EPFL2022

Revisiting Cation Complexation and Hydrogen Bonding of Single-Chain Polyguluronate Alginate

Zezhong Li

Modifying the properties of bio-based materials has garnered increasing interest in recent years. In related applications, the ability of alginates to complex with metal ions has been shown to be effective in liquid-to-gel transitions, useful in the develo ...

American Chemical Society2021

Load-bearing hydrogels ionically reinforced through competitive ligand exchanges

Esther Amstad, Matteo Hirsch, Mathias Steinacher, Ran Zhao

Fast advances in soft robotics and tissue engineering demand for new soft materials whose mechanical properties can be interchangeably and locally varied, thereby enabling, for example, the design of soft joints within an integral material. Inspired by nat ...

ROYAL SOC CHEMISTRY2021

Magnetic regulation of the luminescence of hybrid lanthanide-doped nanoparticles

Jean-Claude Bünzli

The unique optical properties of lanthanide-doped nanomaterials have made them broadly attractive to a wide range of applications in chemical, physical, and biomedical fields. As an external and real-time reg-ulation tool, the magnetic field is highly usef ...

ELSEVIER SCIENCE SA2022

Neural Network Potentials for Age Hardening Aluminum Alloys

Daniel John Gilles Marchand

High-strength metal alloys achieve their performance via careful control of precipitates and solutes. The nucleation, growth, and kinetics of precipitation, and the resulting mechanical properties, are inherently atomic scale phenomena, particularly during ...

EPFL2022

Computer Simulation of the Surface of Aqueous Ionic and Surfactant Solutions

Mária Lbadaoui-Darvas

The surface of aqueous solutions of simple salts was not the main focus of scientific attention for a long while. Considerable interest in studying such systems has only emerged in the past two decades, following the pioneering finding that large halide io ...

AMER CHEMICAL SOC2022

Bismuthene as a versatile photocatalyst operating under variable conditions for the photoredox C-H bond functionalization

Ursula Röthlisberger, Murat Kiliç

Recently, layered two-dimensional (2D) semiconductor materials composed of group 15 elements (pnictogens) are demonstrated as efficient photocatalysts in various applications. However, only little attention is given to the investigation of their catalytic ...

ELSEVIER2022

Super adsorption performance of carboxymethyl cellulose/copper oxide-nickel oxide nanocomposite toward the removal of organic and inorganic pollutants

Shaik Mohammed Zakeeruddin

A novel nanocomposite bead based on polymeric matrix of carboxymethyl cellulose and copper oxide-nickel oxide nanoparticles was synthesized, characterized, and applied for adsorptive removal of inorganic and organic contaminants at trace level of part per ...

SPRINGER HEIDELBERG2021

Photo- and thermally-induced electronic and structural dynamics in perovskites and transition metal oxides

Oliviero Cannelli

In this thesis, we exploited optical and X-ray pump-probe methods in a synergistic approach to study the interplay of the electronic, spin and structural degrees of freedom in two class of complex systems relevant for solar energy conversion applications: ...

EPFL2021

Co(III) carboxamide complexes as electrocatalysts for water splitting

Kurt Schenk, Farzaneh Fadaei Tirani

Water splitting is a promising approach for storing intermittent renewable energies, such as sunlight in the clean chemical bonds as a hydrogen fuel. Two water-soluble octahedral cobalt (III) complexes, [Co(bpb)(OAc)(H2O)], 1, (bpb(2-) = N,N' -bis[(2-pyrid ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Characterization of Chemisorbed Species and Active Adsorption Sites in Mg-Al Mixed Metal Oxides for High-Temperature CO2 Capture

Berend Smit, Kevin Maik Jablonka, Christopher Patrick Ireland

Mg-Al mixed metal oxides (MMOs), derived from the decomposition of layered double hydroxides (LDHs), have been purposed as adsorbents for CO2 capture of industrial plant emissions. To aid in the design and optimization of these materials for CO2 capture at ...

AMER CHEMICAL SOC2022

Color-tunable emitter material

Berend Smit, Christopher Patrick Ireland, Fatmah Ebrahim

The invention is directed to a color-tunable emitter material comprising a crystal containing complexes of luminescent biomolecule-based ligands and metal ions and to a method for preparing the color-tunable emitter material. Furthermore, the invention rel ...

2021

Competing Effects of Hydration and Cation Complexation in Single-Chain Alginate

Zezhong Li

Alginic acid, a naturally occurring anionic polyelectrolyte, forms strong physically cross-linked hydrogels in the presence of metal cations. The latter engage in electrostatic interactions that compete with intra- and intermolecular hydrogen bonds, determ ...

American Chemical Society2022

Diamond-Based Nanoscale Quantum Relaxometry for Sensing Free Radical Production in Cells

Mayeul Sylvain Chipaux, Hoda Shirzad

Diamond magnetometry makes use of fluorescent defects in diamonds to convert magnetic resonance signals into fluorescence. Because optical photons can be detected much more sensitively, this technique currently holds several sensitivity world records for r ...

WILEY-V C H VERLAG GMBH2022