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Publications associées (31)

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

How Do London Dispersion Interactions Impact the Photochemical Processes of Molecular Switches?

Anne-Clémence Corminboeuf, Alberto Fabrizio

In the last two decades, linear-response time-dependent density functional theory (LR-TDDFT) has become one of the most widely used approaches for the computation of the excited-state properties of atoms and molecules. Despite its success in describing the ...

2018

To each his own: isonitriles for all flavors. Functionalized isocyanides as valuable tools in organic synthesis

Jieping Zhu, Andrea Basso

The term functionalized isocyanides refers to all those isocyanides in which a neighbouring functional group can finely tune the reactivity of the isocyano group or can be exploited in post-functionalization processes. In this manuscript, we have reviewed ...

Royal Society of Chemistry2017

High Susceptibility of Histidine to Charge Solvation Revealed by Cold Ion Spectroscopy

Oleg Boyarkine, Vladimir Kopysov, Aleksandr Pereverzev

Histidine remained the last aromatic amino acid for which the intrinsic spectroscopic properties and structures were obscure. We measured the UV and IR spectra of protonated histidine, isolated in the gas phase, using photofragmentation cold ion spectrosco ...

Wiley-Blackwell2017

High Permittivity Silicones for Dielectric Elastomer Actuators

Simon Johannes Dünki

Many technical advances of modern society sprout from the creation of specially customized polymer materials exhibiting unique combinations of properties uncharted so far. Amid this plurality of highly versatile materials, the class of electroactive polyme ...

EPFL2017

Controlling and Monitoring Intracellular Drug Delivery Using PHPMA-Based Polymer Nanomedicines

Claudia Battistella

Polymer nanomedicine is an attractive approach for the delivery of anticancer drugs. Firstly designed to increase drug bioavailability, polymer conjugates and polymer nanoparticles have rapidly emerged in the field of cancer therapy after the discovery of ...

EPFL2017

Novel inhibitors of the enzyme activated factor xii (fxiia)

Christian Heinis, Jonas Alfred Karl Wilbs, Vanessa Baeriswyl, Simon Jan Middendorp

The present invention relates to a bicyclic inhibitor of the coagulation enzyme activated factor XII (FXIIa) comprising or consisting of the peptide (X1)(X2)(X3)n(X4)(X5)(X6)m(X7)(X9)l(X10)(X11)(X12)(X13)(X14)k(X15)(X16), wherein (X1) is present or absent ...

2016

Hydrocarbon adsorption in an aqueous environment: A computational study of alkyls on Cu(111)

Oliviero Andreussi

Hydrocarbon chains are important intermediates in various aqueous-phase surface processes, such as CO2 electroreduction, aqueous Fischer-Tropsch synthesis, and aqueous phase reforming of biomass-derived molecules. Further, the interaction between water and ...

American Institute of Physics2016

Construction of a low temperature STM and studies of large molecular systems

Daniel Pablo Rosenblatt

Several aspects in the field of molecular self assembly are addressed in this thesis. Thanks to the scanning tunnelling microscope (STM), structural, electronic and magnetic properties on surfaces can be studied down to the size of a single atom. In this t ...

EPFL2016

Development of Stapling Methods by Selective Side Chain Modifications of Bioactive Peptides

Christopher Matthew Bandeli Kourra

Cyclic peptide therapeutics fill the gap between small molecules (5000 Da) as a separate class of drugs, combining the advantages of both in terms of high selectivity, bioavailability, synthetic accessibility and low toxicity. Howe ...

EPFL2016

Anti-angiogenic properties of chlorambucil derivatives with fluorous and hydrocarbon appendages

Paul Joseph Dyson, Patrycja Nowak-Sliwinska, Catherine Marie Amélie Clavel, Emilia Paunescu

Chlorambucil (CLB) derivatives with long fluorous (referred to as 1 and 2) or hydrocarbon (3) chains have been evaluated in a series of in vitro and in vivo assays. In cell viability inhibition assays, both derivatives 2 and 3 show selective cytotoxicity t ...

Royal Society of Chemistry2016

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