Publications related to Rotational barriers of biphenyls having heavy heteroatoms as ortho-substituents: experimental and theoretical determination of steric effects

Related publications (31)

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

RE:SLAB — a load bearing system for open-ended component reuse in building structures

Corentin Jean Dominique Fivet, Jan Friedrich Georg Brütting, Dario Redaelli, Alex-Manuel Muresan, Edisson Xavier Estrella Arcos

The construction industry plays a major role in the high levels of greenhouse gas emissions, resource consumption, and waste generation observed nowadays. Key to the circular economy, structural component reuse arises as a promising solution to divert cons ...

2024

Parametric Reduced Order Model of a Gas Bearings Supported Rotor

Jürg Alexander Schiffmann, Fabio Nobile, Dimitri Maurice Goutaudier

Gas bearings use pressurized gas as a lubricant to support and guide rotating machinery. These bearings have a number of advantages over traditional lubricated bearings, including higher efficiency in a variety of applications and reduced maintenance requi ...

2023

Electronic structure and lattice dynamics of 1T-VSe2:Origin of the three-dimensional charge density wave

Lorenzo Monacelli, Ji Dai

To characterize in detail the charge density wave (CDW) transition of 1T-VSe2, its electronic structure and lattice dynamics are comprehensively studied by means of x-ray diffraction, muon spectroscopy, angle resolved photoemission (ARPES), diffuse and ine ...

Amer Physical Soc2024

Multiscale Spatiotemporal Characterization of Embodied Environmental Performance of Building Structures in Geneva from 1850 to 2018

Corentin Jean Dominique Fivet, Catherine Elvire L. De Wolf

Load-bearing systems in buildings, significant in material use and embodied greenhouse gas emissions (EGHGE), have lacked detailed analysis on their environmental and functional relationships over time and space. This study evaluates the environmental impa ...

2024

NMR Crystallography in the Big Data Era: New Methods and Applications Powered by Machine Learning

Manuel Cordova

Structure determination of materials is key to understanding their physical properties. While single-crystal X-ray diffraction is the gold standard for structures displaying long-range order, many materials of interest are polycrystalline and/or disordered ...

EPFL2023

Pressure-freezing of dodecane: exploring the crystal structures, formation kinetics and phase diagrams for colossal barocaloric effects in n-alkanes

Tomasz Poreba

Barocaloric (BC) materials provide cheaper and more energy efficient alternatives to traditional refrigerants. Some liquid alkanes were recently shown to exhibit a colossal BC effect, matching the entropy changes in commercial vapour-liquid refrigerants. D ...

Royal Soc Chemistry2023

Robust Design of Herringbone Grooved Journal Bearings using Multi-Objective Optimization with Artificial Neural Networks

Jürg Alexander Schiffmann, Soheyl Massoudi

Herringbone grooved journal bearings (HGJBs) are widely used in micro-turbocompressor applications due to their high load-carrying capacity, low friction, and oil-free solution. However, the performance of these bearings is sensitive to manufacturing devia ...

2023

Robust Design of Herringbone Grooved Journal Bearings using Multi-Objective Optimization with Artificial Neural Networks

Jürg Alexander Schiffmann, Soheyl Massoudi

Herringbone grooved journal bearings (HGJBs) are widely used in micro-turbocompressor applications due to their high load-carrying capacity, low friction, and oil-free solution. However, the performance of these bearings is sensitive to manufacturing devia ...

Amer Soc Mechanical Engineers2023

Graph neural networks for dynamic modeling of roller bearings

Olga Fink, Vinay Sharma

Machine learning has paved the way for the real-time monitoring of complex infrastructure and industrial systems. However, purely data-driven methods have not been able to learn the underlying dynamics and generalize them to operating conditions that have ...

PHM Society2023

Parametric Reduced Order Model of a Gas Bearings Supported Rotor

Fabio Nobile, Jürg Alexander Schiffmann, Dimitri Maurice Goutaudier

Gas bearings use pressurized gas as a lubricant to support and guide rotating machinery. These bearings have a number of advantages over traditional lubricated bearings, including higher efficiency in a variety of applications and reduced maintenance requi ...

Amer Soc Mechanical Engineers2023

Interactive design with optimum matchmaking of reused structural elements – a software implementation

Corentin Jean Dominique Fivet, Jan Friedrich Georg Brütting, Jonas Warmuth

Structural systems are a significant contributor to buildings’ embodied carbon and reusing structural elements in new load-bearing applications is one strategy to reduce this impact. However, integrating this approach into existing design workflows without ...

International Association for Shell and Spatial Structures (IASS)2023

An Integrated Approach to Designing Robust Turbocompressors on Gas Bearings Through Surrogate Modeling and Constrained Multi-Objective Optimization

Jürg Alexander Schiffmann, Soheyl Massoudi, Cyril Picard

Designing turbocompressors is a complex and challenging task, as it involves balancing conflicting objectives such as efficiency, stability, and robustness against manufacturing deviations. This paper proposes an integrated design methodology for turbocomp ...

ASME Amer Soc Mechanical Engineers2023

Atomic-level structure determination of amorphous molecular solids by NMR

David Lyndon Emsley, Arthur César Pinon, Manuel Cordova, Pinelopi Moutzouri

Structure determination of amorphous materials remains challenging, owing to the disorder inherent to these materials. Nuclear magnetic resonance (NMR) powder crystallography is a powerful method to determine the structure of molecular solids, but disorder ...

Nature Portfolio2023

cgNA+: A sequence-dependent coarse-grain model of double-stranded nucleic acids

Rahul Sharma

DNA mechanics plays a crucial role in many biological processes, including nucleosome positioning and protein-DNA interactions. It is believed that nature employs epigenetic modifications in DNA to further regulate gene expression. Moreover, double-strande ...

EPFL2023

Exploring the potential of the critical shear crack theory for reinforced and post-tensioned glass beams: Initial analysis and experiments

Alain Nussbaumer, Pieter Christian Louter, Jagoda Cupac

In the evolution of structural glass beam elements, the requirements for post-fracture load bearing capacity and safe failure behaviour have led to the development of reinforced and post-tensioned beams. Maximum bending capacity in the post-fracture state ...

2023

Direct conversion of lignin to functionalized diaryl ethers via oxidative cross-coupling

Paul Joseph Dyson, Mingyang Liu

Efficient valorization of lignin, a sustainable source of functionalized aromatic products, would reduce dependence on fossil-derived feedstocks. Oxidative depolymerization is frequently applied to lignin to generate phenolic mono- mers. However, due to th ...

Nature Research2023

Effect of Mo addition on the mechanical and tribological properties of magnetron sputtered TiN films

Sami Rtimi

Ternary-based titanium nitride (TiN) thin films have drawn attention toward rational applications due to their wear resistance, high hardness, and corrosion resistance. The influence of Mo content on the structural, tribo-logical, and mechanical properties ...

ELSEVIER SCIENCE SA2023

Low-energy Electron Holography Microscope for Imaging of Single Molecules

Sven Alexander Szilagyi

Structure determination techniques are an essential tool to investigate and understand molecules, especially in biology, where functionality crucially depends on structure. The dominant high-resolution methods, such as transmission electron microscopy and ...

EPFL2022

Quantifying the Solution Structure of Metal Nanoclusters Using Small-Angle Neutron Scattering

Huayan Yang, Francesco Stellacci, Stefan Guldin, Zhi Luo

Metal nanoclusters are a unique class of synthetic material, as their crystal structures can be resolved using X-ray diffraction, and their chemical formula can be precisely determinated from mass spectroscopy. However, a complete structure characterizatio ...

Wiley-VCH Verlag GmbH2022