Publication

Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain**

Publications associées (33)

Carboxylic acid isomer-directed synthesis of CdS nanocluster isomers

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Selective synthesis of nanocluster (NC) isomers with tailored structures holds significant importance for enhancing their applications. Here, we develop an effective strategy for the selective synthesis of CdS NC isomers through the judicious choice of a p ...
Royal Soc Chemistry2024

Live-cell imaging powered by computation

Suliana Manley, Florian Jug

The proliferation of microscopy methods for live-cell imaging offers many new possibilities for users but can also be challenging to navigate. The prevailing challenge in live-cell fluorescence microscopy is capturing intra-cellular dynamics while preservi ...
Berlin2024

From Automated Bootstrapping to Collaborative Editing: A Framework for 4D City Reconstruction

Rémi Guillaume Petitpierre, Paul Robert Guhennec, Beatrice Vaienti, Didier Louis Dupertuis

We propose a framework for the construction of 4D scientific models for cities of the past. It leverages both the use of computational methods for bootstrapping, and a collaborative interface for visualisation and edition. This permits to continuously enri ...
Zenodo2023

Acid-base-induced fac → mer isomerization of luminescent iridium(iii) complexes

Kay Severin, Farzaneh Fadaei Tirani, Albert Ruggi, Anastasia Gitlina, Carolina Luciana Plaice

Luminescent Ir(C^N)3 complexes (C^N = cyclometalated arylpyridine ligand) exist in the form of two stable isomers with distinct photophysical and electrochemical properties: fac and mer. Herein, we show that fac-Ir(C^N)3 complexes can be converted into the ...
2022

Computational tools and resources for designing new pathways to small molecules

Vassily Hatzimanikatis, Anastasia Sveshnikova

The metabolic engineering community relies on computational methods for pathway design to produce important small molecules in microbial hosts. Metabolic network databases are continuously curated and updated with known and novel reactions that expand the ...
CURRENT BIOLOGY LTD2022

Spearheading future omics analyses using dyngen, a multi-modal simulator of single cells

Wouter Saelens

We present dyngen, a multi-modal simulation engine for studying dynamic cellular processes at single-cell resolution. dyngen is more flexible than current single-cell simulation engines, and allows better method development and benchmarking, thereby stimul ...
NATURE RESEARCH2021

Comparison of computational methods for the electrochemical stability window of solid-state electrolyte materials

Aris Marcolongo, Matthieu Gilles Mottet

Superior stability and safety are key promises attributed to all-solid-state batteries (ASSBs) containing solid-state electrolyte (SSE) compared to their conventional counterparts utilizing liquid electrolyte. To unleash the full potential of ASSBs, SSE ma ...
ROYAL SOC CHEMISTRY2020

Computational characterisation of the selectivity and binding mode of mono- and binuclear transition metal based anticancer compounds

Thibaud Edouard Alistair von Erlach

The rising resistance and the severe side effects associated with classical anticancer drugs such as cisplatin or mercaptopurines has triggered the development of novel antitumourous agents based on transition metal (e.g. ruthenium, osmium, and gold) organ ...
EPFL2020

The Past, Present and Future of Digital Scholarship with Newspaper Collections

Maud Ehrmann, Giovanni Colavizza

Historical newspapers are of interest to many humanities scholars as sources of information and language closely tied to a particular time, social context and place. Digitised newspapers are also of interest to many data-driven researchers who seek large b ...
2019

Computational Design of Auxetic Shells

Mina Konakovic Lukovic

Recent advances in material science and digital fabrication provide promising opportunities for product design, mechanical and biomedical engineering, robotics, architecture, art, and science. Engineered materials and personalized fabrication are revolutio ...
EPFL2019

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