Publications associées à Crystal and Electronic Structures of Magnesium(II), Copper(II), and Mixed Magnesium(II)−Copper(II) Complexes of the Quinoline Half of Styrylquinoline-Type HIV-1 Integrase Inhibitors

Palladium-based supramolecular assemblies: from complex structures to water-soluble anion-receptors

The combination of palladium salts and bipyridyl ligands can lead to the formation of a large variety of coordination complexes, with different shapes and sizes, displaying a very versatile host-guest chemistry. Increasing their structural complexity remai ...

EPFL2024

Beyond the coupled distortion model: structural analysis of the single domain cupredoxin AcoP, a green mononuclear copper centre with original features

Luciano Andres Abriata

Cupredoxins are widely occurring copper-binding proteins with a typical Greek-key beta barrel fold. They are generally described as electron carriers that rely on a T1 copper centre coordinated by four ligands provided by the folded polypeptide. The discov ...

Royal Soc Chemistry2024

Orientational Self-Sorting in Octahedral Palladium Cages: Scope and Limitations of the “cis Rule”

Kay Severin, Farzaneh Fadaei Tirani, Atena-Bianca Solea, Damien Wen Chen, Jean Charles Edouard de Montmollin

Octahedral coordination cages of the general formula Pd6L1212 were obtained by combining Pd(CH3CN)42 with heteroditopic N-donor ligands. Four different ligands were employed. These ligands have 3-pyridyl donor groups at one end and 4-pyridyl, ...

2024

Nanogels with Metal‐Organic Cages as Functional Crosslinks

Kay Severin, Chaolei Hu

A dinuclear metal-organic cage with four acrylate side chains was prepared by self-assembly. Precipitation polymerization of the cage with N-isopropylacrylamide yielded a thermoresponsive nanogel. The host properties of the cage were retained within the ge ...

Wiley-VCH Verlag GmbH2024

Room-Temperature Quantum Optomechanics and Free-Electron Quantum Optics

Guanhao Huang

Quantum optics studies how photons interact with other forms of matter, the understanding of which was crucial for the development of quantum mechanics as a whole. Starting from the photoelectric effect, the quantum property of light has led to the develop ...

EPFL2024

Investigations about the Chemistry of Tetraarylethene- and Iridium-Based Luminophores

Anastasia Gitlina

The work described in this thesis focuses on two classes of luminophores: tetraarylethene-based polymers and Ir(III) complexes with orthometalated ligands. Tetraarylethene-based polymers show aggregation-induced emission (AIE) and they are of interest for ...

EPFL2024

Stabilization versus competing de-metalation, trans-metalation and (cyclo)-dehydrogenation of Pd porphyrins at a copper surface

Metal-porphyrins are studied intensively due their potential applications, deriving from the variety of electronic and chemical properties, tunable by selecting metal centers and functional groups. Metalation, de- and trans-metalation processes are fundame ...

Royal Soc Chemistry2024

Acids from fruits generate photoactive Fe-complexes, enhancing solar disinfection of water (SODIS): A systematic study of the novel " fruto-Fenton " process, effective over a wide pH range (4-9)

César Pulgarin, Aline Laetitia Schaub, Stefanos Giannakis, Giulio Farinelli, Mona Kohantorabi

This study aimed to enhance solar disinfection (SODIS) by the photo-Fenton process, operated at natural pH, through the re-utilization of fruit wastes. For this purpose, pure organic acids present in fruits and alimentary wastes were tested and compared wi ...

Pergamon-Elsevier Science Ltd2024

The complexity of quantum support vector machines

Stefan Woerner, Gian Florin Gentinetta

Quantum support vector machines employ quantum circuits to define the kernel function. It has been shown that this approach offers a provable exponential speedup compared to any known classical algorithm for certain data sets. The training of such models c ...

Verein Forderung Open Access Publizierens Quantenwissenschaf2024

Oxidative Defect Detection Within Free and Packed DNA Systems: A Quantum Mechanical/Molecular Mechanics (QM/ MM) Approach

Ursula Röthlisberger

Base excision repair enzymes (BERs) detect and repair oxidative DNA damage with efficacy despite the small size of the defects and their often only minor structural impact. A charge transfer (CT) model for rapid scanning of DNA stretches has been evoked to ...

Swiss Chemical Soc2024

Role of Carbonyl Compounds for N-Nitrosamine Formation during Nitrosation: Kinetics and Mechanisms

Florian Frédéric Vincent Breider, Urs von Gunten, Yishuai Pan

N-Nitrosamines are potential human carcinogens frequently detected in natural and engineered aquatic systems. This study sheds light on the role of carbonyl compounds in the formation of N-nitrosamines by nitrosation of five secondary amines via different ...

2024

Quantum Protocols for ML, Physics, and Finance

Grzegorz Adam Gluch

In this thesis, we give new protocols that offer a quantum advantage for problems in ML, Physics, and Finance. Quantum mechanics gives predictions that are inconsistent with local realism. The experiment proving this fact (Bell, 1964) gives a quantum proto ...

EPFL2024

Steric and Electronic Effects Responsible for N,O- or N,N-Chelating Coordination of Pyrazolones Containing a Pyridine Ring in Ruthenium Arene Systems

Paul Joseph Dyson, Farzaneh Fadaei Tirani, Mouna Hadiji

Structural and electronic factors are crucial to rationalizethedifferent N,O or N,N chelating coordination of pyrazolones containinga pyridine ring. The reactivity of proligand 3-phenyl-1-(pyridin-2-yl)-5-pyrazolone(HLpy,ph) with the (arene)Ru(II) fragment ...

AMER CHEMICAL SOC2023

Electro- and photochemical H-2 generation by Co(ii) polypyridyl-based catalysts bearing ortho-substituted pyridines

Rosario Scopelliti, Euro Solari, Albert Ruggi, Vincent Artero, Fiorella Lucarini

Cobalt(II) complexes featuring hexadentate amino-pyridyl ligands have been recently discovered as highly active catalysts for the Hydrogen Evolution Reaction (HER), whose high performance arises from the possibility of assisting proton transfer processes v ...

ROYAL SOC CHEMISTRY2023

Tuning the reactivity of uranium towards small molecules in multimetallic complexes

Nadir Jori

One of the main goals of organometallic chemistry in the last decades was the activation of small molecule in mild reaction conditions. Even though multiple examples of catalytic cycles able to produce fine chemicals from cheap and abundant sources using t ...

EPFL2023

A five-stranded heterometallic helicate

Kay Severin, Sylvain Alexandre Marie Sudan, Farzaneh Fadaei Tirani

A penta-stranded helicate was obtained by combining Pd(CH3CN)42 with La(NO3)3 and a polydentate ligand. The helicate displays low symmetry, both in solution and in the solid state. A dynamic interconversion between the penta-stranded helicate and a ...

Royal Society of Chemistry2023

Synthesis and Reactivity of an Anionic Diazoolefin

Kay Severin, Rosario Scopelliti, Farzaneh Fadaei Tirani, Zhaowen Dong, Bastiaan Kooij

Bent (hetero)allenes such as carbodicarbenes and carbodiphosphoranes can act as neutral C-donor ligands, and diverse applications in coordination chemistry have been reported. N-Heterocyclic diazoolefins are heterocumulenes, which can function in a similar ...

Wiley-VCH Verlag GmbH2023

The acid-mediated isomerization of iridium(iii) complexes with cyclometalated NHC ligands: kinetic vs. thermodynamic control

Kay Severin, Farzaneh Fadaei Tirani, Anastasia Gitlina

The isomerization of iridium(III) complexes with metalated N-heterocyclic carbene (NHC) ligands was studied. The fac isomers of complexes with 1-phenyl-3-methylbenzimidazolin-2-ylidene or 1-phenyl-3-benzylbenzimidazolin-2-ylidene ligands are transformed cl ...

2023

Development of a magnetic calcium-alginate hydrogel-sphere encapsulated with Fe-Mn-Zr ternary metal composite for heavy metal adsorption

Xinyi Huang

Heavy metal contamination has become one of the greatest global environmental problems. In this study, a magnetic calcium-alginate hydrogel-sphere encapsulated with Fe-Mn-Zr ternary-metal composite (MCHETC) was prepared through a combined co-precipitation ...

2023

Can dd excitations mediate pairing?

Christophe Berthod, Francesco Barantani

The Cu-3d states in the high-T-c cuprates are often described as a single band of 3d(x2-y2) states, with the other four 3d states having about 2 to 3 eV higher energy due to the lower-than-octahedral crystal field at the copper sites. However, excitations ...

Elsevier2023