Tuning the π‐Accepting Properties of Mesoionic Carbenes: A Combined Computational and Experimental Study

About
Privacy
Disclaimer

Graph Chatbot

Related publications (31)

Different responses of mice and rats hippocampus CA1 pyramidal neurons to in vitro and in vivo-like inputs

Maurizio Ferdinando Pezzoli, Ying Shi, Armando Romani, Michele Migliore, Rosanna Migliore

The fundamental role of any neuron within a network is to transform complex spatiotemporal synaptic input patterns into individual output spikes. These spikes, in turn, act as inputs for other neurons in the network. Neurons must execute this function acro ...

2023

Multiple Surface Site Three-Dimensional Structure Determination of a Supported Molecular Catalyst

David Benjamin Roger Antoine Gajan, Pierrick Berruyer, Moreno Lelli, Zhuoran Wang

The structural characterization of supported molecular catalysts is challenging due to the low density of active sites and the presence of several organic/organometallic surface groups resulting from the often complex surface chemistry associated with supp ...

AMER CHEMICAL SOC2022

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

Isolation, Characterisation and Reactivity of N-Heterocyclic Diazoolefins

Paul Varava

Examples for applications of nitrous oxide in organic synthesis remain rare up until today. First mayor contributions of our group were published in 2012, when nitrous oxide was successfully captured by N-heterocyclic carbenes. Subsequent studies investiga ...

EPFL2022

Technological and computational advances driving high-throughput oncology

Christoph Merten, Leonie Kolmar, Alexis Louis Autour, Blandine Anne Catherine Vergier, Xiaoli Ma

Engineering and computational advances have opened many new avenues in cancer research, particularly when being exploited in interdisciplinary approaches. For example, the combination of microfluidics, novel sequencing technologies, and computational analy ...

ELSEVIER SCIENCE LONDON2022

Multi-physics modeling of VVERs with high fidelity high-resolution codes

Marianna Papadionysiou

The calculations performed for the design and operation of a Nuclear Power Plant (NPP) are a key factor for their safety analyses. The standard for the computational analysis of NPPs is the so called conventional approach, which relies on coarse mesh diffu ...

EPFL2022

A Compressive Sensing Framework for EMI Source Localization Using a Metalens Structure: Localization Beyond the Diffraction Limit

Farhad Rachidi-Haeri, Marcos Rubinstein, Mohammad Azadifar, Hamidreza Karami

In this article, we propose a novel approach for the localization of electromagnetic interference (EMI) sources based on the concept of compressive sensing and metalenses. We show that using the spatial and frequency dispersion offered by the metalens, we ...

2022

The Debiased Spatial Whittle likelihood

Sofia Charlotta Olhede

We provide a computationally and statistically efficient method for estimating the parameters of a stochastic covariance model observed on a regular spatial grid in any number of dimensions. Our proposed method, which we call the Debiased Spatial Whittle l ...

WILEY2022

Reduced basis methods for numerical room acoustic simulations with parametrized boundaries

Jan Sickmann Hesthaven, Hermes Sampedro Llopis

The use of model-based numerical simulations of wave propagation in rooms for engineering applications requires that acoustic conditions for multiple parameters are evaluated iteratively, which is computationally expensive. We present a reduced basis metho ...

ACOUSTICAL SOC AMER AMER INST PHYSICS2022

Computational Concepts for Reconstructing and Simulating Brain Tissue

Felix Schürmann, Srikanth Ramaswamy, Jean-Denis Georges Emile Courcol

It has previously been shown that it is possible to derive a new class of biophysically detailed brain tissue models when one computationally analyzes and exploits the interdependencies or the multi-modal and multi-scale organization of the brain. These re ...

Springer2022

Computational design of vaccine immunogens

Bruno Emanuel Ferreira De Sousa Correia, Andreas Scheck, Karla Montserrat Castro Gilabert, Shuhao Xiao

Computational protein engineering has enabled the rational design of customized proteins, which has propelled both sequence-based and structure-based immunogen engineering and delivery. By discerning antigenic determinants of viral pathogens, computational ...

CURRENT BIOLOGY LTD2022

Page 2 of 2