Publication

Stable ß-Turns of Tripeptides in Water through Cation-π Interactions

Publications associées (30)

Long-lived Photo-Charges in 1D Helical Organic Semiconductor Nanostructures

The formation of photoexcited states in organic semiconductors, their separation into long-lived or stable charge carriers, as well as the charge transport are critical processes relevant to several important research fields and emerging technologies. Whil ...

EPFL2018

Extending the Scope of the Density Overlap Region Indicator

Laurent Alexis Clément Vannay

In this thesis, original applications of the Density Overlap Region Indicator (DORI), a density dependent bonding descriptor capable of simultaneously capturing covalent and noncovalent interactions, are discussed. The use of scalar fields, such as DORI, w ...

EPFL2018

Single-molecule FRET reveals multiscale chromatin dynamics modulated by HP1α

Louise Catherine Bryan, Beat Fierz, Sinan Kilic, Iuliia Boichenko

The dynamic architecture of chromatin fibers, a key determinant of genome regulation, is poorly understood. Here, we employ multimodal single-molecule Förster resonance energy transfer studies to reveal structural states and their interconversion kinetics ...

Nature Research2018

Molecular Engineering Strategies for Morphology Control in Organic Semiconductors for Optoelectronics

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It is understood that the optoelectronic performance of organic electronic devices is determinant on the macroscopic solid state self-assembly of organic semiconductors (OSC), which is driven by the supramolecular Ï -Ï stacking interactions between the co ...

EPFL2018

Atomistic simulation of bio-relevant ionic and organic species interacting with rutile - Towards the understanding of apatite formation

Azade Yazdan Yar

Atomistic simulation methods, namely molecular dynamics and well-tempered metadynamics, are used in this thesis to investigate apatite formation from different aspects. First, ions which are more abundant in SBFs under physiological conditions were identif ...

EPFL2018

Molecular insights in aqueous systems : from electrolyte solutions to aqueous nanoscale interfaces

Yixing Chen

The unique structure and dynamics of the water hydrogen (H)-bond network enable a multitude of structures and chemical reactions in both bulk solutions and at interfaces. The underlying molecular interactions between water and dissolved electrolytes, organ ...

EPFL2017

Viruses at solid-water interfaces: A systematic assessment of interactions driving adsorption

Anne Thérèse Sigstam, Tamar Kohn, Antonius Magdi Hakeem Armanious, Dominik Refardt, Meret Aeppli

Adsorption to solid-water interfaces is a major process governing the fate of waterborne viruses in natural and engineered systems. The relative contributions of different interaction forces to adsorption and their dependence on the physicochemical propert ...

Amer Chemical Soc2016

Vibrational Signatures of Conformer-Specific Intramolecular Interactions in Protonated Tryptophan

Oleg Boyarkine, Natalia Nagornova, Aleksandr Pereverzev

Because of both experimental and computational challenges, protonated tryptophan has remained the last aromatic amino acid for which the intrinsic structures of low-energy conformers have not been unambiguously solved. The IR-IR UV hole-burning spectroscop ...

Amer Chemical Soc2016

On-Surface Assembly and Reactions of Organic Molecules in Ultra-High Vacuum

Claudius Morchutt

This thesis comprises the study of two types of 2D materials, those stabilized by non-covalent and those by covalent interactions. They are synthesized and studied on well-defined metallic surfaces in ultra-high vacuum (UHV). The self-assembly of terephtha ...

EPFL2016

Two-dimensional honeycomb network through sequence-controlled self-assembly of oligopeptides

Klaus Kern, Stephan Rauschenbach, Sabine Abb

The sequence of a peptide programs its self-assembly and hence the expression of specific properties through non-covalent interactions. A large variety of peptide nanostructures has been designed employing different aspects of these non-covalent interactio ...

Nature Publishing Group2016