Publications related to Schiff base ligands derived from 1,2-bis(2 '-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(II) complexes: synthesis, characterization, X-ray structures and computational studies

Chalcogen bonding catalysis

Catalysts play a major role in chemical synthesis, and catalysis is considered to be a green and economic process. Catalysis is dominated by covalent interactions between the catalyst and substrate. The design of non-covalent catalysts came into limelight ...

Royal Society of Chemistry2024

Catalytic Enantioselective Synthesis of Inherently Chiral Macrocycles by Dynamic Kinetic Resolution

Jieping Zhu, Shuo Tong

Kinetically fast racemization of chiral substrates through an achiral intermediate and enantioselective functionalization of one of the enantiomeric substrates forms the basis of the dynamic kinetic resolution (DKR) of centrally chiral molecules. We report ...

2024

Molecular imine cages with π-basic Au3(pyrazolate) faces

Kay Severin, Rosario Scopelliti, Farzaneh Fadaei Tirani, Noga Eren

One tetrahedral and two trigonal prismatic cages with π-basic Au3(pyrazolate)3 faces were obtained by connection of pre-formed gold complexes via dynamic covalent imine chemistry. The parallel arrangement of the Au3(pyrazolate)3 complexes in the prismatic ...

2024

Design and Synthesis of C4‐Symmetric Axially Chiral β‐Aryl Porphyrins and Application for Supporting Ir(III)‐Catalyzed Enantioselective C−H Alkylation

Jieping Zhu

A hitherto unknown class of C4-symmetric Caryl Cβ (C3, C8, C13, C18) axially chiral porphyrins has been synthesized and the application of their iridium (Ir) complexes in catalytic asymmetric C(sp3) H functionalization is documented. Cyclotetramerization o ...

Wiley-VCH Verlag GmbH2024

In vivo X-ray microtomography locally affects stem radial growth with no immediate physiological impact

Pascal Turberg, Laura Mekarni, Charlotte Grossiord, Hervé Cochard

Microcomputed tomography (mu CT) is a nondestructive X-ray imaging method used in plant physiology to visualize in situ plant tissues that enables assessments of embolized xylem vessels. Whereas evidence for X-ray-induced cellular damage has been reported, ...

Oxford Univ Press Inc2024

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

How Reproducible is the Synthesis of Zr-Porphyrin Metal-Organic Frameworks? An Interlaboratory Study

Jocelyn Richard Roth, Wendy Lee Queen, Rawan Al Natour

Metal-organic frameworks (MOFs) are a rapidly growing class of materials that offer great promise in various applications. However, the synthesis remains challenging: for example, a range of crystal structures can often be accessed from the same building b ...

Wiley-V C H Verlag Gmbh2024

Scalable constrained optimization

Maria-Luiza Vladarean

Modern optimization is tasked with handling applications of increasingly large scale, chiefly due to the massive amounts of widely available data and the ever-growing reach of Machine Learning. Consequently, this area of research is under steady pressure t ...

EPFL2024

A method and system for optimizing design, implantation, and stimulation protocols of electrodes stimulating the nervous system

Silvestro Micera, Simone Romeni

A method for optimizing at least one of a geometry, an implantation procedure, and/or stimulation protocol of one or more electrodes for an electrical stimulation of a target structure in a nervous system of a living being by a computer device, the method ...

2024

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

Sylvain Alexandre Marie Sudan

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

Robot Learning using Tensor Networks

Suhan Narayana Shetty

In various robotics applications, the selection of function approximation methods greatly influences the feasibility and computational efficiency of algorithms. Tensor Networks (TNs), also referred to as tensor decomposition techniques, present a versatile ...

EPFL2024

X-ray chemical imaging for assessing redox microsites within soils and sediments

Vincent Noel, Meret Aeppli

Redox reactions underlie several biogeochemical processes and are typically spatiotemporally heterogeneous in soils and sediments. However, redox heterogeneity has yet to be incorporated into mainstream conceptualizations and modeling of soil biogeochemist ...

Frontiers Media Sa2024

Complexation Strategies towards Challenging Group 9 Metal Cyclopentadienyl Scaffolds

Aragorn Nathan Laverny

Cyclopentadienyl (Cp) metal complexes and their chiral counterparts (CpX) have enabled the development of challenging C-H activation transformations. While major progresses were made in developing new chiral CpX complexes and exploring their reactivity, th ...

EPFL2023

Synthesis, isolation and application of a sila-ketenyl anion

Rosario Scopelliti, Shiori Fujimori

Ynolates or ketenyl anions, [RCCO]-, are negatively charged reactive intermediates, which can be generated in situ and used for divergent chemical transformations. Ynolates can react either at the oxygen or carbon centres or across the C-C triple bond, mak ...

Springernature2023

Robust optimization of control parameters for WEC arrays using stochastic methods

Edie Miglio, Tommaso Vanzan

This work presents a new computational optimization framework for the robust control of parks of Wave Energy Converters (WEC) in irregular waves. The power of WEC parks is maximized with respect to the individual control damping and stiffness coefficients ...

Journal of Computational Physics2023

A comprehensive review of digital twin-part 2: roles of uncertainty quantification and optimization, a battery digital twin, and perspectives

Sayan Ghosh, Chao Hu, Olga Fink

As an emerging technology in the era of Industry 4.0, digital twin is gaining unprecedented attention because of its promise to further optimize process design, quality control, health monitoring, decision- and policy-making, and more, by comprehensively m ...

SPRINGER2023

A combined genetic algorithm and active learning approach to build and test surrogate models in Process Systems Engineering

François Maréchal, Julia Granacher

In Process Systems Engineering, computationally-demanding models are frequent and plentiful. Handling such complexity in an optimization framework in a fast and reliable way is essential, not only for generating meaningful solutions but also for providing ...

Pergamon-Elsevier Science Ltd2023

Stochastic-robust planning optimization method based on tracking-economy extreme scenario tradeoff for CCHP multi-energy system

François Maréchal, Yuxuan Li

The load tracking performance of combined cooling, heating, and power multi-energy system (CCHP-MES) greatly depends on the equipment capacity configuration. And the frequent fluctuations in the source-load uncertainty puts higher demands on the load track ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Modeling and Design Optimization of Loosely Coupled PCB Spiral Coils in Inductive Power Transfer Systems

Drazen Dujic, Xiaotong Du

There are various possibilities to realize coil winding designs for an inductive power transfer system. In order to achieve high power transfer efficiency and power density and explore trade-offs between the two, design optimization around the coil link is ...

2023

Influence of aerosol acidity and organic ligands on transition metal solubility and oxidative potential of fine particulate matter in urban environments

Gerhard Lammel, Athanasios Nenes

The adverse health effects of air pollution around the world have been associated with the inhalation of fine particulate matter (PM2.5). Such outcomes are thought to be related to the induction of oxidative stress due to the excess formation of reactive o ...

Elsevier2023