Publications associées à Molecular knot

Design of Customized Mouthguards with Superior Protection Using Digital-Based Technologies and Impact Tests

Dominique Pioletti, Naser Nasrollahzadeh Mamaghani, Martin Broome

Background In contact sports, an impact on the jaw can generate destructive stress on the tooth-bone system. Mouthguards can be beneficial in reducing the injury risk by changing the dynamics of the trauma. The material properties of mouthguards and their ...

Springer2024

Enriching the Computational Toolbox for Organocatalysis

Simone Gallarati

Organocatalysis has evolved significantly over the last decades, becoming a pillar of synthetic chemistry, but traditional theoretical approaches based on quantum mechanical computations to investigate reaction mechanisms and provide rationalizations of ca ...

EPFL2023

Natural Product Synthesis Enabled by Domino Processes Incorporating a 1,2-Rearrangement Step

Qian Wang, Jieping Zhu, Bastien Delayre

The art of natural product total synthesis is closely associated with two major determinants: the development/application of novel chemical reactions and the innovation in strategic use of classic organic reactions. While purposely seeking/applying a new s ...

2021

Molecular engineering of functional materials for optoelectronic applications

Nikita Drigo

Organic functional materials are indispensable components for the last generation of light-energy conversion devices. Photo- and electroactive small organic molecules constitute thin active (emitting, transporting, blocking, injecting etc.) layers of organ ...

EPFL2020

A precise polyrotaxane synthesizer

Bo Song, Cristian Pezzato

Mechanically interlocked molecules are likely candidates for the design and synthesis of artificial molecular machines. Although polyrotaxanes have already found niche applications in exotic materials with specialized mechanical properties, efficient synth ...

American Association for the Advancement of Science2020

FB-ECDA: Fragment-based Electronic Coupling Decomposition Analysis for Organic Amorphous Semiconductors

Anne-Clémence Corminboeuf, Kun-Han Lin

We present a fragment-based decomposition analysis tool (FB-ECDA) for the electronic coupling of charge transfer processes. This tool provides insight on the sophisticated relationship between molecular packing, electronic coupling, and the molecular trans ...

AMER CHEMICAL SOC2020

A Molecular Dual Pump

Cristian Pezzato

Artificial molecular machines (AMMs) built from mechanically interlocked molecules (MIMs) can use energy ratchets to control the unidirectional motion of their component parts. These energy ratchets are operated by the alteration of kinetic barriers and th ...

AMER CHEMICAL SOC2019

Scanning Probe Microscopy Characterization of Organic Self-Assembled Monolayers

Evangelia-Nefeli Athanasopoulou

As technology advances, surface coatings become more and more important to assure materials performances. In recent years, molecular coatings have found larger acceptance and uses. Among them, self-assembled monolayers (SAMs) are attractive because they ar ...

EPFL2018

Design, Modeling, and Control Methods for Fluid-Mediated Programmable Self-Assembly of Resource-Constrained Robotic Modules

Bahar Haghighat

The newly emerged and quickly growing science of nanotechnology has been recognized as one of ``the twenty-first century's great leaps forward in scientific knowledge''. Self-assembly provides a powerful enabling technique for nanotechnology by providing a ...

EPFL2018

Structural characterization of framework-gas interactions in the metal-organic framework Co-2(dobdc) by in situ single-crystal X-ray diffraction

Wendy Lee Queen, Miguel Gonzalez

The crystallographic characterization of framework-guest interactions in metal-organic frameworks allows the location of guest binding sites and provides meaningful information on the nature of these interactions, enabling the correlation of structure with ...

2017