Publications related to Polymer-theory insights into biomolecular systems

Related publications (30)

Soft Mechanochemistry of Disulfide-Crosslinked Polymer Networks

Mechanochemistry harnesses mechanical force to facilitate chemical reactions. Traditionally, the field of polymer mechanochemistry has used methods to activate chemical bonds, which use forces that are larger than those that are required to break a covalen ...

EPFL2024

Autorepression of yeast Hsp70 cochaperones by intramolecular interactions involving their J-domains

Paolo De Los Rios, Bruno Claude Daniel Fauvet, Adélaïde Alice Mohr, Mathieu Rebeaud, Satyam Tiwari

The 70 kDa heat shock protein (Hsp70) chaperones control protein homeostasis in all ATP-containing cellular compartments. J-domain proteins (JDPs) coevolved with Hsp70s to trigger ATP hydrolysis and catalytically upload various substrate polypeptides in ne ...

Elsevier Science Inc2024

Near-Room-Temperature Detection of Aromatic Compounds with Inkjet-Printed Plasticized Polymer Composites

Jürgen Brugger, Thomas Maeder, Mohammadmahdi Kiaee

Chemiresistive gas sensors composed of a thermoplastic polymer matrix and conductive fillers offer various advantages for detecting volatile organic compounds (VOCs), including low power consumption due to near-room-temperature operation, high sensitivity, ...

Amer Chemical Soc2024

Solvation Free Energies from Machine Learning Molecular Dynamics

Nicola Marzari, Nicéphore Arthur François Bonnet

The present work proposes an extension to the approach of [Xi, C; et al. J. Chem. Theory Comput. 2022, 18, 6878] to calculate ion solvation free energies from first-principles (FP) molecular dynamics (MD) simulations of a hybrid solvation model. The approa ...

Amer Chemical Soc2024

Ion Adsorption Enhances Apparent Nonelectrostatic Attraction between Monomers in Polyelectrolyte Brushes

Harm-Anton Klok

Polyelectrolyte brushes are responsive to salt in the environment, and this has found broad applications in antifouling, biolubrication, and drug delivery. Salt primarily influences the conformation of the polyelectrolytes through ion adsorption. While ion ...

American Chemical Society2024

Hybrid Simulator for Capturing Dynamics of Synthetic Populations

Michel Bierlaire, Marija Kukic

This paper presents a novel hybrid framework for generating and updating a synthetic population. We call it hybrid because it combines model-based and data-driven approaches. Existing generators produce a snapshot of synthetic data that becomes outdated ov ...

IEEE2024

Pyroresistive response of percolating conductive polymer composites

Claudio Grimaldi

The pyroresistive response of conductive polymer composites (CPCs) has attracted much interest because of its potential applications in many electronic devices requiring a significant responsiveness to changes in external physical parameters such as temper ...

Amer Physical Soc2024

Discrete choice modeling in the era of big data

Nicola Marco Ortelli

The technological advancements of the past decades have allowed transforming an increasing part of our daily actions and decisions into storable data, leading to a radical change in the scale and scope of available data in relation to virtually any object ...

EPFL2024

Revealing the Formation Dynamics of Janus Polymer Particles: Insights from Experiments and Molecular Dynamics

Philip Robin Loche

Seeded emulsion polymerization is one of the best-known methods for preparing polymer particles with a controlled size, composition, and shape. It first requires the preparation of seed particles, which are then swollen with additional monomer (the same as ...

Amer Chemical Soc2023

Architecturally Diverse Polymer Brushes Prepared via Surface-Initiated Atom Transfer Radical Polymerization

Sabrina Sant-Greber

Polymer brushes, which are polymers anchored to a solid substrate by one chainend, have the ability to modify the properties of an underlying substrate, offering intriguing features such as enhanced lubrication, reduced friction, colloidal stability, and a ...

EPFL2023

Effects of Electrode Design on the Melt Electrowriting of Sinusoidal Structures

Biranche Tandon

Melt electrowriting is a microscale manufacturing technique that uses polymer-based melts to create fibrous structures. An electric field is used to stabilize a continuous molten jet, which is then written onto a substrate as a microscale fiber. Herein, it ...

WILEY-V C H VERLAG GMBH2023

Opportunities, Challenges, and Pitfalls in Making, Characterizing, and Understanding Polymer Brushes

Harm-Anton Klok

Polymer brushes have been theoretically described, their behavior under diverse conditions has been modeled, and their preparation via surface-initiated polymerizations (SIPs) has been progressively refined. However, despite three decades of research endea ...

American Chemical Society2023

Deconstructing and Reconstructing the Complexity of Tau pathology

Galina Limorenko

This thesis consists of four Chapters unified by a singular theme â how do we develop disease models that faithfully reproduce the pathology seen in patients suffering from neurodegenerative disorders associated with the Tau protein, such as Alzheimerâ ...

EPFL2023

Data-driven design of organic electronic materials

Jacob Terence Blaskovits

Singlet fission (SF) is a multiexciton-generating process whereby an excited state singlet (S1) is converted into two lower-energy triplets (T1). The inclusion of a SF-capable material into a photovoltaic device offers the potential for the absorption of p ...

EPFL2023

A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular Aggregates

Francesco Aquilante

We present an implementation of the Frenkel exciton model into the OpenMolcas program package enabling calculations of collective electronic excited states of molecular aggregates based on a multiconfigurational wave function description of the individual ...

AMER CHEMICAL SOC2023

Reinforced Supramolecular Networks of End Functionalized Polymers for Tailored Thermomechanical Property Profiles

Yevhen Hryshunin

Thermoset rubbers give rise to elastomers with tunable stiffness and high resilience but are not recyclable. Thermoplastic elastomers can address this problem but their broad applicability is impeded by either limited operating temperatures or inferior ela ...

EPFL2023

Delivery of mRNA for cancer therapy: progress and prospects

Yi Wang

Synthetic messenger RNA (mRNA)-based therapeutics have emerged as promising candidates for the prevention and treatment of a wide range of diseases and disorders. mRNA possesses notable advantages, including exceptional safety, the capacity to replace vari ...

Elsevier Sci Ltd2023

Lignin, from biomass waste to sustainable materials for food packaging, antiviral coatings and agriculture

Alice Boarino

Our planet has been challenged for years by our reckless use of fossil fuels, which has led to the ongoing climate change and energy crisis. The transition to the use of renewable alternative sources has now became urgent and inevitable. The valorization o ...

EPFL2023

Supramolecular Modifications of Semicrystalline Polymers

Michael Alan Giffin

Supramolecular interactions play an important role in defining the structure and the resulting mechanical properties of materials. For instance, interchain hydrogen-bonding in PAs gives them superior strength and stiffness in engineering materials, while t ...

EPFL2023

Community-based reconstruction and simulation of a full-scale model of region CA1 of rat hippocampus

Alberto Antonietti, Davide Bella, Pranav Rai, Henry Markram, Felix Schürmann, Eilif Benjamin Muller, Michael Reimann, Marwan Muhammad Ahmed Abdellah, Werner Alfons Hilda Van Geit, Lida Kanari, Srikanth Ramaswamy, James Gonzalo King, Alexis Arnaudon, Ying Shi, András Ecker, Jean-Denis Georges Emile Courcol, Armando Romani, Pramod Shivaji Kumbhar, Judit Planas Carbonell, Michael Emiel Gevaert, Nadir Roman Guerrero, Liesbeth Maria L Vanherpe, Huanxiang Lu, Mohameth François Sy, Cristina Colangelo, Juan Bautista Hernando Vieites, Cyrille Pierre Henri Favreau, Genrich Ivaska, Anna-Kristin Kaufmann, Joni Henrikki Herttuainen, Elvis Boci, Vishal Sood, Thomas Brice Delemontex, Fabien Petitjean, Julian Martin Budd, Mustafa Kerem Kurban

The CA1 region of the hippocampus is one of the most studied regions of the rodent brain, thought to play an important role in cognitive functions such as memory and spatial navigation. Despite a wealth of experimental data on its structure and function, i ...

2024