Publications associées à LiBF4‐Induced Rearrangement and Desymmetrization of a Palladium‐Ligand Assembly

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

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

Structure and dynamics of liquid water from ab initio simulations: adding Minnesota density functionals to Jacob's ladder

Ursula Röthlisberger, Justin Villard, Martin Peter Bircher

The accurate representation of the structural and dynamical properties of water is essential for simulating the unique behavior of this ubiquitous solvent. Here we assess the current status of describing liquid water using ab initio molecular dynamics, wit ...

Royal Soc Chemistry2024

Supramolecular Polymer Brushes

Friederike Katharina Metze

Thin polymer coatings present a method to modify the surface properties of underlying substrates. Polymer-coated surfaces have been used as anticorrosive materials, surfaces with special wetting properties, antifriction materials, and as materials for biom ...

EPFL2023

Reliability analysis and partial safety format calibration considering the characteristics of the resistance of reinforced concrete structures

Qianhui Yu

Every engineering calculation is an approximation of reality, with inevitable uncertainties involved. This fact implies that a reliability verification accounting for the uncertainties is a necessary step in the design and assessment of structures. Nowaday ...

EPFL2023

Experimental testing and structural analysis of composite tile – reinforced concrete domes

Savvas Saloustros

Conventional formworks for concrete curved shells either are expensive, complex and wasteful or have formal restrictions. Using tile vaults (also known as timbrel, Guastavino, thin-tile or Catalan vaults) as stay-in-place formwork for concrete shells could ...

2023

Modeling and characterization of the nucleation and growth of carbon nanostructures in physical synthesis

Kevin Rossi

Carbon nanostructures formed through physical synthesis come in a variety of sizes and shapes. With the end goal of rationalizing synthetic pathways of carbon nanostructures as a function of tunable parameters in the synthesis, we investigate how the initi ...

ELSEVIER2023

Supramolecular Modifications of Semicrystalline Polymers

Michael Alan Giffin

Supramolecular interactions play an important role in defining the structure and the resulting mechanical properties of materials. For instance, interchain hydrogen-bonding in PAs gives them superior strength and stiffness in engineering materials, while t ...

EPFL2023

Chiral Cyclic Alkyl Amino Carbene (CAAC) Transition-Metal Complexes: Synthesis, Structural Analysis, and Evaluation in Asymmetric Catalysis

Adrien Jules Louis Madron Du Vigné

Despite recent advances in the field of cyclic alkyl amino carbenes (CAACs) including a few complementary synthetic strategies affording CAACs with various substitution patterns, the application potential of chiral CAACs to efficiently catalyze asymmetric ...

2022

A Collaborative Workflow to Automate the Design, Analysis, and Construction of Integrally-Attached Timber Plate Structures

Pierre Latteur, Yves Weinand, Aryan Rezaei Rad, Petras Vestartas, Nicolas Henry Pierre Louis Rogeau

This paper introduces a computational framework that fosters collaboration between architects, engineers, and contractors by bridging the gap between architectural design, structural analysis, and digital construction. The present research is oriented towa ...

CAADRIA2022

Compressed sensing (CS) MP2RAGE versus standard MPRAGE: A of derived brain volume measurements

Tobias Kober, Tom Hilbert, Gian Franco Piredda

Purpose: T1 Magnetization Prepared Two Rapid Acquisition Gradient Echo (MP2RAGE) with compress sensing (CS) has been proposed as an improvement of the standard MPRAGE sequence with multiple advantages including reduced acquisition time needed to provide a ...

ELSEVIER SCI LTD2022

Combining multi-stage ion mobility spectrometry with cryogenic infrared spectroscopy for glycan analysis

Priyanka Bansal

Structural analysis of biomolecules is essential to understanding biological processes. Among the various classes of biomolecules, glycans have gained significant attention recently due to their ubiquitous roles in biological systems. However, study of gly ...

EPFL2022

Luminescent, porous, metal-organic crystals: Design, synthesis, and applications

Fatmah Ebrahim

The work presented in this thesis is focused on the design and discovery of new luminescent, porous, crystalline materials for targeted applications. In particular, we focus on luminescent Metal-Organic Frameworks (MOFs) and Organic Molecules of Intrinsic ...

EPFL2020

Robotically-Fabricated Nexorades from Whole Timber

Yves Weinand, Aryan Rezaei Rad, Petras Vestartas

This paper introduces the conceptual design of sustainable timber structures using raw wood. It pre-sents a workflow for systematically generating Nexorades using a tiling method for multi-valence quad subdivided surfaces. The system is designed based on a ...

2021

Investigating the cracking of plastered stone masonry walls under shear–compression loading

Katrin Beyer, Amir Rezaie, Michele Godio

Cracks are the most important source of information about the damage that occurs to unreinforced masonry piers under seismic actions. To predict the structural state of unreinforced masonry piers after an earthquake, research models have been developed to ...

2021

Structural and analytical identifications of biomolecules by cold ion spectroscopy of non-covalent complexes

Erik Saparbayev

Non-covalent interactions are ubiquitous in nature. The diversity and functionality of these interactions are employed by nature as a universal tool for building the molecular mechanism of life. Although weak, these interactions play a key role in both for ...

EPFL2021

Reduced-order Models for Simulating Coupled Geometric Instabilities in Steel Beam-columns Under Inelastic Cyclic Straining

Alexander Riley Hartloper

Numerical models that can simulate coupled geometric instabilities in steel beam-columns are required for the seismic assessment of certain steel moment-resisting frames. Reliably simulating coupled instabilities requires that the steel material is precise ...

EPFL2021

Computational Analysis and Design of Structurally Stable Assemblies with Rigid Parts

An assembly refers to a collection of parts joined together to achieve a specific form and/or functionality. Assemblies make it possible to fabricate large and complex objects with several small and simple parts. Such parts can be assembled and disassemble ...

EPFL2021

Seismic vulnerability index method for hybrid timber-masonry structures. Numerical calibration and application to the city of Valparaiso, Chile

Savvas Saloustros

This paper presents a procedure for the extension of the Vulnerability Index Method (VIM) to the seismic assessment of hybrid timber-masonry buildings. The research is based on the execution of a detailed numerical study of this peculiar structural typolog ...

ELSEVIER2021

Structural basis of drug recognition by the multidrug transporter ABCG2

Henning Paul-Julius Stahlberg, Dongchun Ni

ABCG2 is an ATP-binding cassette (ABC) transporter whose function affects the pharmacokinetics of drugs and contributes to multidrug resistance of cancer cells. While its interaction with the endogenous substrate estrone-3-sulfate (E1S) has been elucidated ...

Elsevier2021

Reversible Magnetic Transition in a Bench-Stable Radical Cation Triggered by Structural Transition in the Magnetically Silent Counteranion

Sergio Vela Llausi

Fabrication of bench-stable radical ions under ambient conditions is of utmost significance from the perspective of materials and structural (solid-state) chemistry. Two exceptionally stable benzotriazinyl radical cationic salts of 1-phenyl-3(phenylamino)- ...

2020