Publications related to Chemical substance

Estrogenic, Genotoxic, and Antibacterial Effects of Chemicals from Cryogenically Milled Tire Tread

Kristin Schirmer, Florian Frédéric Vincent Breider, Benoît Jean Dominique Ferrari, Thibault Béranger Masset

Tire and road wear particles (TRWP) contain complex mixtures of chemicals and release them to the environment,and potential toxic effects of these chemicals still need to be characterized. We used a standardized surrogate for TRWP,cryogenically milled tire ...

2024

Augmenting large language models with chemistry tools

Philippe Schwaller, Oliver Tobias Schilter, Andres Camilo Marulanda Bran, Carlo Baldassari

Large language models (LLMs) have shown strong performance in tasks across domains but struggle with chemistry-related problems. These models also lack access to external knowledge sources, limiting their usefulness in scientific applications. We introduce ...

Nature Portfolio2024

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

Moulding and Microfluidic Wet Spinning of the Soft Polymer Optical Fibers for Sensory Applications

Khushdeep Sharma

Polymer optical fibre (POFs) based wearable sensors have attracted a lot of attention in the field of healthcare and biomedical applications. They are in particular envision as the next generation of sensors for the continuous, real-time n ...

EPFL2024

Modular Multiplatform Compatible Air Measurement System (MoMuCAMS): a new modular platform for boundary layer aerosol and trace gas vertical measurements in extreme environments

Julia Schmale, Andrea Baccarini, Roman Pohorsky

The Modular Multiplatform Compatible Air Measurement System (MoMuCAMS) is a newly developed in situ aerosol and trace gas measurement platform for lower-atmospheric vertical profiling. MoMuCAMS has been primarily designed to be attached to a Helikite, a ru ...

2024

Composition and Element Distribution Mapping of γ′ and γ" Phases of Inconel 718 by High-Resolution Scanning Transmission Electron Microscopy and X-ray Energy-Dispersive Spectrometry

Philippe Buffat

The main strengthening mechanism for Inconel 718 (IN718), a Ni-based superalloy, is precipitation hardening by gamma ' and gamma '' particles. It is thus essential, for good alloy performance, that precipitates with the desired chemical composition have ad ...

MDPI2024

One-pot synthesis of functionalized bis(trifluoromethylated)benziodoxoles from iodine(i) precursors

Jérôme Waser, Xingyu Liu, Nieves Pilar Ramirez Hernandez, Tobias Michael Milzarek

Bis(trifluoromethylated)benziodoxoles (Bx) are broadly used cyclic hypervalent iodine reagents due to their stability and unique chemical properties. However, current methods to access them require several steps and long reaction times, making their synthe ...

Royal Society of Chemistry2023

Modelling of metal alloys in realistic conditions with machine learning

Nataliya Lopanitsyna

Computer simulations based on statistical methods have emerged as a powerful tool for studying structure-property relationships at the atomistic level. However, to provide reliable insights into materials in realistic conditions, it is essential to accurat ...

EPFL2023

Selectively permeable microcapsules

Chuen-Ru Li

Microcapsules are appealing containers for delivering active ingredients, such as drugs and cosmetics, or conducting chemical and biological reactions on a small scale. To control the timing and location of release of these encapsulants, the shells of micr ...

EPFL2023

An Overview of Heterogeneous Catalysts Based on Hypercrosslinked Polystyrene for the Synthesis and Transformation of Platform Chemicals Derived from Biomass

Lioubov Kiwi

Platform chemicals, also known as chemical building blocks, are substances that serve as starting materials for the synthesis of various value-added products, which find a wide range of applications. These chemicals are the key ingredients for many fine an ...

MDPI2023

Lignin Hydrogenolysis: Phenolic Monomers from Lignin and Associated Phenolates across Plant Clades

Jeremy Luterbacher, Yuan Li

The chemical complexity of lignin remains a major challengeforlignin valorization into commodity and fine chemicals. A knowledgeof the lignin features that favor its valorization and which plantsproduce such lignins can be used in plant selection or to eng ...

AMER CHEMICAL SOC2023

Addressing chemical pollution in biodiversity research

Kristin Schirmer, Ahmed Tlili, Colette vom Berg

Climate change, biodiversity loss, and chemical pollution are planetary-scale emergencies requiring urgent mitigation actions. As these "triple crises" are deeply interlinked, they need to be tackled in an integrative manner. However, while climate change ...

WILEY2023

A benchmark dataset for machine learning in ecotoxicology

Kristin Schirmer, Marco Baity-Jesi, Fernando Perez Cruz

The use of machine learning for predicting ecotoxicological outcomes is promising, but underutilized. The curation of data with informative features requires both expertise in machine learning as well as a strong biological and ecotoxicological background, ...

Nature Portfolio2023

An explainability framework for deep learning on chemical reactions exemplified by enzyme-catalysed reaction classification

Daniel Probst

Assigning or proposing a catalysing enzyme given a chemical or biochemical reaction is of great interest to life sciences and chemistry alike. The exploration and design of metabolic pathways and the challenge of finding more sustainable enzyme-catalysed a ...

2023

Simultaneous local sensing of two chemical properties with dual soft probe scanning electrochemical microscopy

Hubert Girault, Andreas Stephan Lesch, Gregorio Bonazza

A new method for the rapid and economic fabrication of dual soft microelectrodes for Soft-Probe-Scanning electrochemical microscopy (Soft-Probe-SECM) and their use for the simultaneous local detection of locally generated species is presented. The process ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Charge-Selectively Permeable Self-Healing Microcapsules

Esther Amstad, Chuen-Ru Li

Microcapsules possessing a selective permeability are well-suited vessels for conducting cell studies or chemical reactions that require selective exchanges of reagents over a prolonged time. Most currently reported microcapsules are single-use delivery ca ...

WILEY2023

Atomic-scale Characterization of Strain and Gate effects on Two-dimensional Materials by Scanning Tunneling Microscopy

Jz -Yuan Juo

Strain is an inevitable phenomenon in two-dimensional (2D) material, regardless of whether the film is suspended or supported. Moreover, strain is known to alter the physical and chemical properties, such as the band gap, charge carrier effective masses, d ...

EPFL2023

espm: A Python library for the simulation of STEM-EDXS datasets

Cécile Hébert, Duncan Thomas Lindsay Alexander, Hui Chen, Guillaume Romain Obozinski, Nathanaël Perraudin

We present two open-source Python packages: "electron spectro-microscopy"(espm) and "electron microscopy tables"(emtables). The espm software enables the simulation of scanning transmission electron microscopy energy-dispersive X-ray spectroscopy datacubes ...

ELSEVIER2023

From Surfactants to Viscoelastic Capsules

Esther Amstad, Gaia De Angelis, Natascha Ilena Gray

Micrometer sized capsules are often used as single entities for the encapsulation and release of active ingredients, for example in food, cosmetics, and drug delivery. Important parameters that determine the stability of capsules and the release of reagent ...

WILEY2023

Unidirectional penetration approach for characterizing sulfate attack mechanisms on cement mortars and pastes

Karen Scrivener, Qiao Wang, William Wilson

Degradation of cementitious materials by sulfate ions is commonly classified into chemical and physical sulfate attack. So-called "physical" attack dominates in many field situations, but laboratory testing focuses on "chemical" attack under full-immersion ...

Pergamon-Elsevier Science Ltd2023