Publications associées à Determination of the bulk cobalt valence state of co-perovskites containing surface-adsorbed impurities

Editing Tetrasubstituted Carbon: Dual C–O Bond Functionalization of Tertiary Alcohols Enabled by Palladium-Based Dyotropic Rearrangement

Qian Wang, Jieping Zhu, Baochao Yang, Tristan Corentin Pierre Delcaillau

Many elegant asymmetric syntheses of enantioenriched tertiary alcohols have been developed, and both the transition metal-catalyzed and the radical-based peripheral functionalization of tertiary alcohols have attracted intensive research interest in recent ...

2024

Switching the on-surface orientation of oxygen-functionalized helicene

Karl-Heinz Ernst, Christian Wäckerlin, Jan Voigt

Helicenes represent an important class of chiral organic material with promising optoelectronic properties. Hence, functionalization of surfaces with helicenes is a key step toward new organic materials devices. The deposition of a heterohelicene containin ...

Wiley2024

Engineering of chitosan-based derivatives for non-viral gene delivery

Laura Camille Louise Nicolle

Gene therapy offers the possibility to treat or even cure diseases originating from genetic defects by introducing a therapeutic gene in target cells or correcting the initial defective gene. Amongst different options, non-viral vectors rely on the deliver ...

EPFL2022

Novel inhibitors of kallikrein proteases and uses thereof

Christian Heinis, Alessandro Zorzi, Patrick Andreas Gonschorek

The present invention relates to a cyclic inhibitor of a kallikrein protease comprising or consisting of (I) the peptide (X1 (X2)(X3)R(X4)(X5)(X6)(X7)(X8)(X9)(X10)(X11) (Formula (X)), wherein (X1) is present or absent and, is preferably present, and if pre ...

2021

Hubbard-corrected density functional perturbation theory with ultrasoft pseudopotentials

Nicola Marzari, Matteo Cococcioni, Iurii Timrov, Andrea Floris

We present in full detail a newly developed formalism enabling density functional perturbation theory (DFPT) calculations from a DFT + U ground state. The implementation includes ultrasoft pseudopotentials and is valid for both insulating and metallic syst ...

AMER PHYSICAL SOC2020

Cryogenic Infrared Action Spectroscopy Fingerprints the Hydrogen Bonding Network in Gas-Phase Coumarin Cations

Thomas Rizzo, Robert Paul Pellegrinelli, Eduardo Carrascosa Casado

We report cryogenic vibrational spectra of gas-phase cations of two common hydroxycoumarins, scopoletin and esculetin, as well as their glycosidic derivatives, scopolin and esculin. The study allows direct observation of the intramolecular interactions bet ...

2020

Extrinsic Defects in Amorphous Oxides: Hydrogen, Carbon, and Nitrogen Impurities in Alumina

Alfredo Pasquarello, Zhendong Guo, Francesco Ambrosio

We present a procedure for addressing extrinsic defects in amorphous oxides, in which the most stable defect configurations are identified through ab initio molecular dynamics in various charge states and studied through hybrid functional calculations. The ...

American Physical Society (APS)2019

Energetics and cathode voltages of LiMPO4 olivines (M = Fe, Mn) from extended Hubbard functionals

Nicola Marzari, Matteo Cococcioni

Transition-metal compounds pose serious challenges to first-principles calculations based on density functional theory (DFT), due to the inability of most approximate exchange-correlation functionals to capture the localization of valence electrons on thei ...

AMER PHYSICAL SOC2019

Optimizing Mesostructured Silver Catalysts for Selective Carbon Dioxide Conversion into Fuels

Sophia Haussener, Silvan Suter

Mesostructured silver catalysts have shown a substantial rise in reaction selectivity for the conversion of CO2 into fuels with increasing thickness of ordered, inverse-opal films. The challenge lies in the optimization of the morphology to maximize the CO ...

2019

Enhanced mineralization of atrazine by surface induced hydroxyl radicals over light-weight granular mixed-quartz sands with ozone

Stefanos Giannakis, Jun Ma, Da Wang, Shuang Song

A light-weight granular mixed-quartz sand (denoted as L-GQS) combined with stirring-assisted bubble column reactor was firstly applied in catalytic ozonation of atrazine. The L-GQS, with a density of 2.36 g cm(-3) and average diameter of ca. of 4 mm, was r ...

PERGAMON-ELSEVIER SCIENCE LTD2019

α-Diimines as Versatile, Derivatizable Ligands in Ruthenium(II) p-Cymene Anticancer Complexes

Paul Joseph Dyson, Lucinda Kate Batchelor

α-Diimines are among the most robust and versatile ligands available in synthetic coordination chemistry, possessing finely tunable steric and electronic properties. A series of novel cationic ruthenium(II) p-cymene complexes bearing simple α-diimine ligan ...

2018

alpha-Diimine homologues of cisplatin: synthesis, speciation in DMSO/water and cytotoxicity

Paul Joseph Dyson, Lucinda Kate Batchelor, Silvia Schoch

The Pt(ii) -diimine complexes [PtCl2{N-2-(HCNR)(2)}] (R = C6H11, 1; 4-C6H10OH, 2; 4-C6H4CH3, 3; 4-C6H4OH, 4) and [PtCl2{N-2-(CH3CNOH)(2)}] (5) were prepared in 60-81% yields from the 1:1 molar reactions of cis-[PtCl2(DMSO)(2)] with the appropriate -diimine ...

ROYAL SOC CHEMISTRY2018

Anti-fibrotic effect of ketoprofen-grafted alginate microcapsules in the transplantation of insulin producing cells

Sandrine Gerber, Daniel Ortiz Trujillo, Léo Bühler, François Rémi Pierre Noverraz, Luca Szabó

The controlled release of small molecular modulators of the immune response from hydrogel microspheres (MS) used for cell immobilization is an attractive approach to reduce pericapsular fibrotic overgrowth (PFO) after transplantation. Ketoprofen is a well- ...

2018

Caspofungin on ARGET-ATRP grafted PHEMA polymers: Enhancement and selectivity of prevention of attachment of Candida albicans

Harm-Anton Klok, Piotr Mocny

There is a need for coatings for biomedical devices and implants that can prevent the attachment of fungal pathogens while allowing human cells and tissue to appose without cytotoxicity. Here, the authors study whether a poly(2-hydroxyethylmethacrylate) (P ...

2017

Reaction of bromine and chlorine with phenolic compounds and natural organic matter extracts - Electrophilic aromatic substitution and oxidation

Urs von Gunten, Eva Maria Rodriguez Franco

Phenolic compounds are known structural moieties of natural organic matter (NOM), and their reactivity is a key parameter for understanding the reactivity of NOM and the disinfection by-product formation during oxidative water treatment. In this study, spe ...

Elsevier2015

Synthesis of poly(ethylene-co-butylene)-block-poly(ethylene oxide) surfactant and its use in the synthesis of polyhydroxyethyl methacrylate nanoparticles containing azo-dye

Thomas Geiger, Yee Song Ko

A synthetic path to poly(ethylene-co-butylene)-block-poly(ethylene oxide), a substitute for the "KLE" surfactant was developed. For this purpose, mono hydroxyl end-functionalized poly(ethylene-co-butylene) (similar to 3800 g mol(-1)) was modified with a tr ...

Royal Soc Chemistry2014

Functional, Hyperbranched Polyesters Via Baylis-Hillman Polymerization

Harm-Anton Klok, Sanhao Ji, Frederik Roman Wurm

Hyperbranched polyesters are among the most common hyperbranched polymers. One of the interesting features of hyperbranched polyesters is that they contain unreacted hydroxyl and carboxylic acid groups at the linear and terminal structural units, which can ...

2012

Spectroscopy on Rydberg states of sodium atoms on the surface of helium nanodroplets

Marcel Drabbels, Evgeniy Loginov

One- and two-photon excitation spectra of sodium atoms on the surface of helium droplets are reported. The spectra are recorded by monitoring the photoionization yield of desorbed atoms as function of excitation frequency. The excitation spectra involving ...

American Chemical Society2011

Ultrafast Optical and X-ray Absorption Studies of Solvation Dynamics

Van Thai Pham

Solvation dynamics, the process of solvent reorganization upon electronic excitation of a solute, is central to our understanding chemical reactions in liquid phase. Ultrafast optical studies of solvation dynamics have so far been carried out on polyatomic ...

EPFL2010

New efficient synthetic strategies towards the AB and CD spiroketal fragments of spongistatins and analogues

Sylvain Favre

For thousands of years, nature provided us remedies to treat diseases and its biologically active molecules inspired chemists for the development of new drugs. In 1993, three research groups independently reported the isolation, from sponges, of spongistat ...

EPFL2009