Publications associées à Understanding the Effect of Magnesium Ion Concentration on the Catalytic Activity of Ribonuclease H through Computation: Does a Third Metal Binding Site Modulate Endonuclease Catalysis?

Publications associées (42)

Multi-scale and multi-energy non-destructive X-ray analysis of the European Retrievable Carrier (EURECA)

Grégoire Gabriel Germain Bourban, Volker Gass, Tobias Bandi

The reduction in costs for space travel and scientific experiments in microgravity raises the question of equipment reusability. This goal can only be achieved if the space travel associated system degradations are fully understood. Non-destructive analysi ...

2025

Highly diastereoselective and enantioselective cyclopropanation of alkenes catalyzed by a chiral iridium(III) porphyrin complex

Jieping Zhu

Extensive research has been conducted on chiral porphyrin-metal complex (M = Co, Rh, Ru, Fe)-catalyzed asymmetric cyclopropanation of alkenes. However, the corresponding iridium complex has scarcely been exploited for this purpose. We report herein that th ...

2025

Synthesis of Mono- and Multimetallic Complexes of f-Elements in Low Oxidation States for Small Molecule Activation

Keerthi Shivaraam Rangaraj Ananthakumar

The chemistry of the f-elements, especially uranium, in very low oxidation states has seen significant advances in the last two decades. These low-valent species have often been demonstrated to be crucial in the activation of small molecules such as N2 and ...

EPFL2025

Time-Dependent Deformation of Sandstone due to Chemical Corrosion: An Investigation Using the Heterogeneous Grain-Based Phase-Field Method

Alexandra Roma Larisa Kushnir

Fractures are diverse geological features. Despite extensive research on their varied geometries and growth mechanisms, there has been relatively little focus on how acid-rock interactions, such as reactive transport and precipitation, influence crack grow ...

SPRINGER WIEN2025

Coordination polymers: from uranium(IV) and thorium(IV) to non-uranyl U(V) and U(VI)

Andrei Andreichenko

This thesis explores the diverse chemistry of thorium and uranium coordination polymers, focusing on actinides in +4 and +5 oxidation states, and their reactivity with various ligands. While uranium predominantly exists as the uranyl cation [UO2]2+ in the ...

EPFL2025

Structural basis of SIRT7 nucleosome engagement and substrate specificity

Esther Calvino Sanles, Polina Nikolaeva Foteva, Henning Paul-Julius Stahlberg, Beat Fierz, Dongchun Ni, Babatunde Edukpe Ekundayo, Carlos Moreno Yruela

Chromatin-modifying enzymes target distinct residues within histones to finetune gene expression profiles. SIRT7 is an NAD+-dependent deacylase often deregulated in cancer, which deacetylates either H3 lysine 36 (H3K36) or H3K18 with high specificity withi ...

NATURE PORTFOLIO2025

Boon and Bane of Local Solid State Chemistry on the Performance of LSM-Based Solid Oxide Electrolysis Cells

Hanna Christine Türk

Advanced Energy Materials published by Wiley-VCH GmbH.High-temperature solid oxide cells are highly efficient energy converters. However, their lifetime is limited by rapid deactivation. Little is known about the local, atomic scale transformation that dri ...

2025

Development of synthetic methods starting from cyclopropenes: taming cyclopropyl radical, cyclopropyl and cyclopropenium cations

Vladyslav Smyrnov

Due to the high ring strain and unique bonding, cyclopropenes represent important 3-carbon synthons in organic synthesis. Intrigued by the unique reactivity of cyclopropenes, we were interested in further exploration of their chemical properties. Trying to ...

EPFL2025

Stepwise synthesis of heterotrimetallic FeII/PdII/AuI coordination cages

Kay Severin, Farzaneh Fadaei Tirani, Noga Eren

The synthesis of heterotrimetallic molecular cages is reported. The assemblies contain three types of coordination compounds: FeII clathrochelate complexes, AuI3(pyrazolate)3 complexes, and [PdII(pyridine)4]2+ complexes. The cages were obtained in a stepwi ...

2024

Tailoring nanocatalysts and reaction interfaces for water- and CO2-electrolysis

Thi Ha My Pham

Renewable energy sources offer a promising solution for mitigating sustainability and CO2 emissions-related issues due to their vast energy generation capacity. They enable hydrogen production via water electrolysis, as well as carbon capture and utilizati ...

EPFL2024

Arylative Ring Expansion of 3-Vinylazetidin-3-Ols and 3-Vinyloxetan-3-Ols to Dihydrofurans by Dual Palladium and Acid Catalysis

Qian Wang, Jieping Zhu, Takuji Fujii

In contrast to the well-studied 1-vinylcyclobu- tanols, the reactivity of 3-vinylazetidin-3-ols 1 and 3- vinyloxetan-3-ols 2 under transition metal catalysis remains largely unexplored. We report herein their unique reactivity under dual palladium and acid ...

Wiley-VCH Verlag GmbH2024

Well-Defined Ti Surface Sites in Ziegler-Natta Pre-Catalysts from 47/49Ti Solid-State Nuclear Magnetic Resonance Spectroscopy

Pierrick Berruyer

Treatment of Ziegler-Natta (ZN) catalysts with BCl3 improves their activity by increasing the number of active sites. Here we show how Ti-47/49 solid-state nuclear magnetic resonance (NMR) spectroscopy enables us to understand the electronic structure of t ...

Amer Chemical Soc2024

Contradict mechanism of long-term magnesium and sodium sulfate attacks of nano silica-modified cement mortars - Experimental and thermodynamic modeling

Qiao Wang

The mechanisms of external sulfate attack on cement mortars containing nano silica have been studied under full immersion conditions after 3 years. The sulfate degradation processes were compared between sodium sulfate and magnesium sulfate solutions with ...

Elsevier Sci Ltd2024

Computational Studies for the Design of Metalloenzyme Mimics

Guido Frisari

At present, there is no general standard automated method for engineering metalloenzymes, industrially-relevant systems able to catalyze environmentally friendly reactions. One of the most studied natural metalloenzymes is the second isoform of human carbo ...

EPFL2023

Palladium-based supramolecular assemblies: from complex structures to water-soluble anion-receptors

Sylvain Alexandre Marie Sudan

The combination of palladium salts and bipyridyl ligands can lead to the formation of a large variety of coordination complexes, with different shapes and sizes, displaying a very versatile host-guest chemistry. Increasing their structural complexity remai ...

EPFL2024

Ru(II)-Arene Complexes of Curcumin and Bisdesmethoxycurcumin Metabolites

Paul Joseph Dyson, Farzaneh Fadaei Tirani, Mouna Hadiji

Curcuminoids and their complexes continue to attract attention in medicinal chemistry, but little attention has been given to their metabolic derivatives. Here, the first examples of (arene)Ru(II) complexes with curcuminoid metabolites, tetrahydrocurcumin ...

Amer Chemical Soc2024

Deriving Major Ion Concentrations at High Resolution from Continuous Electrical Conductivity Measurements in Karst Systems

Paolo Benettin

Time series of hydrochemical parameters support the investigation of dominant karst hydrological processes and conceptual model structures. Nevertheless, high costs for sample collection and analyses cause hydrochemical data to be rarely available at a suf ...

SPRINGER INTERNATIONAL PUBLISHING AG2023

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

Probing Catalytic Sites and Adsorbate Spillover on Ultrathin FeO2-x Film on Ir(111) during CO Oxidation

Harald Brune, Hao Yin

The spatially resolved identification of active sites on the heterogeneous catalyst surface is an essential step toward directly visualizing a catalytic reaction with atomic scale. To date, ferrous centers on platinum group metals have shown promising pote ...

Amer Chemical Soc2024

Orientational Self-Sorting in Octahedral Palladium Cages: Scope and Limitations of the “cis Rule”

Kay Severin, Farzaneh Fadaei Tirani, Damien Wen Chen, Jean Charles Edouard de Montmollin, Atena-Bianca Solea

Octahedral coordination cages of the general formula Pd6L1212 were obtained by combining Pd(CH3CN)42 with heteroditopic N-donor ligands. Four different ligands were employed. These ligands have 3-pyridyl donor groups at one end and 4-pyridyl, ...

2024