Publications associées à Third structure determination by powder diffractometry round robin (SDPDRR-3)

Inhalation of Microplastics—A Toxicological Complexity

Florian Frédéric Vincent Breider, Myriam Borgatta

Humans are chronically exposed to airborne microplastics (MPs) by inhalation. Various types of polymer particles have been detected in lung samples, which could pose a threat to human health. Inhalation toxicological studies are crucial for assessing the e ...

2024

Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features

Luciano Andres Abriata

Cupredoxins are widely occurring copper-binding proteins with a typical Greek-key beta barrel fold. They are generally described as electron carriers that rely on a T1 copper centre coordinated by four ligands provided by the folded polypeptide. The discov ...

Royal Soc Chemistry2024

Microsecond Time-Resolved Cryo-Electron Microscopy

Oliver Florian Harder

Recently, single-particle cryo-electron microscopy emerged as a technique capable of determining protein structures at near-atomic resolution and resolving protein dynamics with a temporal resolution ranging from second to milliseconds. This thesis describ ...

EPFL2024

Opportunities and challenges in design and optimization of protein function

Bruno Emanuel Ferreira De Sousa Correia, Casper Alexander Goverde

The field of protein design has made remarkable progress over the past decade. Historically, the low reliability of purely structure-based design methods limited their application, but recent strategies that combine structure-based and sequence-based calcu ...

Nature Portfolio2024

A Comparative Analysis of Tools & Task Types for Measuring Computational Problem-Solving

Engin Walter Bumbacher, Jérôme Guillaume Brender, Richard Lee Davis

How to measure students' Computational Problem-Solving (CPS) competencies is an ongoing research topic. Prevalent approaches vary by measurement tools (e.g., interactive programming, multiple-choice tests, or programming-independent tests) and task types ( ...

Association for Computing Machinery2024

Identification of typical district configurations: A two-step global sensitivity analysis framework

François Maréchal, Jonas Schnidrig, Cédric Terrier

The recent geopolitical conflicts in Europe have underscored the vulnerability of the current energy system to the volatility of energy carrier prices. In the prospect of defining robust energy systems ensuring sustainable energy supply in the future, the ...

Pergamon-Elsevier Science Ltd2024

Quantifying the Unknown: Data-Driven Approaches and Applications in Energy Systems

Paul Scharnhorst

In light of the challenges posed by climate change and the goals of the Paris Agreement, electricity generation is shifting to a more renewable and decentralized pattern, while the operation of systems like buildings is increasingly electrified. This calls ...

EPFL2024

Measuring electrical properties in semiconductor devices by pixelated STEM and off-axis electron holography (or convergent beams vs. plane waves)

Victor Carle Adrien Boureau

We demonstrate the use of both pixelated differential phase contrast (DPC) scanning transmission electron microscopy (STEM) and off-axis electron holography (EH) for the measurement of electric fields and assess the advantages and limitations of each techn ...

Pergamon-Elsevier Science Ltd2024

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

Atomic-level structure determination of amorphous molecular solids by NMR

Manuel Cordova, Arthur César Pinon, David Lyndon Emsley, 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

Anomalous Hall effect and magnetic structure of the topological semimetal (Mn0.78Fe0.22)3Ge

Jan Persson, Jian Rui Soh

Me3+8Ge, being a Weyl semimetal, shows a large anomalous Hall effect (AHE), which decreases slowly with an increase in 8 from 0.1 to 0.4. However, AHE in this compound remains significantly large in the whole range of 8 because of the robust nature of the ...

AMER PHYSICAL SOC2023

Why computational complexity may set impenetrable barriers for epistemic reductionism

Michael Herzog, Adrien Christophe Doerig, Christian Sachse

According to physicalism, everything is physical or metaphysically connected to the physical. If physicalism were true, it seems that we should - in principle - be able to reduce the descriptions and explanations of special sciences to physical ones, for e ...

Springer2023

Smart acoustic lining for UHBR technologies engine: from the design of an electroacoustic metasurface to experimental characterization under flow

Hervé Lissek, Maxime Volery

The SALUTE project aims at evaluating performance of electroacoustic metasurface, employing a surface array of controlled electroacoustic actuators, for smart acoustic lining under grazing turbulent flow to be used in UHBR Technologies Engines. Theoretical ...

Society of Photo-Optical Instrumentation Engineers (SPIE)2023

Cost-effective equalization of electro-optic frequency combs in a Sagnac interferometer

Camille Sophie Brès, Jianqi Hu, Ivan Cardea

We present a cost-effective electro-optic frequency comb generation and equalization method using a single phase modulator inserted in a Sagnac interferometer layout. The equalization relies on the interference of comb lines generated in both clockwise and ...

Optica Publishing Group2023

Magnetic structure of the two-dimensional XY antiferromagnet Sr2CoSi2O7 studied using single-crystal neutron diffraction

Bálint Náfrádi

We report a combined polarized and unpolarized neutron diffraction study on a multiferroic Sr2CoSi2O7 (SCSO) single crystal below and above the antiferromagnetic ordering temperature TN = 6.5 K. Unpolarized neutron diffraction measurements at 15 K confirm ...

AMER PHYSICAL SOC2023

Housing, street and health: a new systemic research framework

Stéphane Joost, Paola Viganò, Catarina Wall Gago, Anna Pagani, Derek Pierre Christie, Dusan Licina, Valentin Daniel Maurice Bourdon, Idris Guessous, Mathias Lerch

As the world’s population grows in cities, urban dwellers spend a large amount of time inside their home, making housing health ever more important. Critical for residents’ health, the interactions between indoor residential environments and outdoor enviro ...

2023

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

ExG Signal Feature Selection Using Hyperdimensional Computing Encoding

David Atienza Alonso, Una Pale, Tomas Teijeiro Campo

Wearable IoT devices and novel continuous monitoring algorithms are essential components of the healthcare transition from reactive interventions focused on symptom treatment to more proactive prevention, from one-size-fits-all to personalized medicine, an ...

IEEE2022

Practical Byzantine-resilient Stochastic Gradient Descent

Sébastien Louis Alexandre Rouault

Algorithms are everywhere. The recipe for the frangipane cake is an algorithm. If all the listed ingredients are available and the cook is sufficiently deft, after a finite number of small, well-defined steps a delicious dessert will exit the oven. Now, wh ...

EPFL2022

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