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Concept

Formule structurale

Publications associées (30)

Biobased surfactant

Jeremy Luterbacher, Stefania Bertella, Songlan Sun, Anastasiia Komarova

The present invention relates to a compound of the general formula (I), (II) and (III), more specifically of formula (Ia), (Ib), (Ic)wherein R11 and R12 or R21 and R22 or R31 and R32 are both hydrogen or form together with CHR50 a cyclic moiety or one of R ...

2024

Novel cathepsin inhibitors

Bruno Emanuel Ferreira De Sousa Correia, Elisa Oricchio, Aaron Simone Petruzzella

The present invention relates to a cathepsin inhibitor comprising or consisting of Formula (I) (X1)(X2)(X3)(X4)(Y)(X5)(X6)(X7) wherein (X1) is an amino acid selected from K, L, F and M; (X2) is an amino acid selected from L, A, D, E, F, G, H, I, K, M, N, S ...

2023

Architecture-Controllable Single-Crystal Helical Self-assembly of Small-Molecule Disulfides with Dynamic Chirality

Lukas Pfeifer

Beyond the common supramolecular helical polymers in solutions, controlling single-crystal helical self-assembly with precisely defined chirality and architectures has been challenging. Here, we report that simply merging static homochiral amino acids with ...

AMER CHEMICAL SOC2023

Quantifying the Solution Structure of Metal Nanoclusters Using Small-Angle Neutron Scattering

Francesco Stellacci, Stefan Guldin, Zhi Luo, Huayan Yang

Metal nanoclusters are a unique class of synthetic material, as their crystal structures can be resolved using X-ray diffraction, and their chemical formula can be precisely determinated from mass spectroscopy. However, a complete structure characterizatio ...

Wiley-VCH Verlag GmbH2022

Combining multi-stage ion mobility spectrometry with cryogenic infrared spectroscopy for glycan analysis

Priyanka Bansal

Structural analysis of biomolecules is essential to understanding biological processes. Among the various classes of biomolecules, glycans have gained significant attention recently due to their ubiquitous roles in biological systems. However, study of gly ...

EPFL2022

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

Thomas Rizzo, Eduardo Carrascosa Casado, Robert Paul Pellegrinelli

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

Bi-stable spin-crossover in charge-neutral [Fe(R-ptp)(2)] (ptp=2-(1H-pyrazol-1-yl)-6-(1H-tetrazol-5-yl)pyridine) complexes

Sergio Vela Llausi

Bi-stable charge-neutral iron(II) spin-crossover (SCO) complexes are a class of switchable molecular materials proposed for molecule-based switching and memory applications. In this study, we report on the SCO behavior of a series of iron(II) complexes com ...

2020

Diiron Complexes with a Bridging Functionalized Allylidene Ligand: Synthesis, Structural Aspects, and Cytotoxicity

Paul Joseph Dyson, Lucinda Kate Batchelor

Regio- and stereoselective nucleophilic attack of cyanide (from NBu4CN) to cationic diiron vinyliminium compounds [Fe2Cp2(CO)(mu-CO){mu-eta(1):eta(3)-C-(R')C(R '')-CNMe2}]CF3SO3 ([1a-f]CF3SO3) affords the nitrile-aminoallylidene derivatives 2a-f in good to ...

AMER CHEMICAL SOC2020

Minimal graphs for 2-factor extension

Dominique de Werra

Let G = (V, E) be a simple loopless finite undirected graph. We say that G is (2-factor) expandable if for any non-edge uv, G + uv has a 2-factor F that contains uv. We are interested in the following: Given a positive integer n = vertical bar V vertical b ...

ELSEVIER2020

Discovery of a self-healing catalyst for the hydrolytic dehydrogenation of ammonia borane

Emad Oveisi, Mounir Driss Mensi, Kyriakos Stylianou, Ngoc Tú Nguyên, Andrzej Gladysiak, Fatmah Ebrahim, Bardiya Valizadeh, Fatma Pelin Uran

Sustainable catalysts based on earth-abundant elements are considered as economical alternatives to precious-metal-bearing catalysts and could be impactful for many applications. Self-healing sustainable catalysts, which in addition to their 'green' charac ...

Royal Society of Chemistry2019

Experimental testing of a small-scale truss beam that adapts to loads through large shape changes

Ian Smith, Gennaro Senatore, Arka Prabhata Reksowardojo

Adaptive structures can modify their shape and internal forces through sensing and actuation in order to maintain optimal performance under changing actions. Substantial whole-life energy can be saved with respect to traditional passive designs through wel ...

2019

Separation and Identification of Glycan Anomers Using Ultrahigh-Resolution Ion Mobility Spectrometry and Cryogenic Ion Spectroscopy

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Valeriu Scutelnic

The analysis of carbohydrates, or glycans, is challenging for established structure-sensitive gas-phase methods. The multitude of possible stereo-, regio- and structural isomers make them substantially more complex to ana-lyze than DNA or proteins, and no ...

2019

Design of Truss Structures Through Reuse

Corentin Jean Dominique Fivet, Gennaro Senatore, Jan Friedrich Georg Brütting

This paper presents structural optimization techniques to design truss structures that make best use of a given stock of structural components. Still little explored, the reuse of structural components over multiple service lives has the potential to signi ...

2019

Analysis of photosensor frontends for biomedical applications: a focus on noise

Paul Stanislas Gosselin

Photosensing has proven to be highly useful in biomedical research and medical care. Being able to detect and quantify the light emitted by fluorescent or bioluminescent reporters has significantly participated in the development of new cancer treatments a ...

EPFL2019

Carrier Lifetimes and Recombination Pathways in Metal-Organic Frameworks

Olga Syzgantseva

Understanding the excited-state charge carrier relaxation in metal-organic frameworks (MOFs) and revealing ways to alternate its rate are of primary importance for the development of novel hybrid photoactive materials with sufficiently long carrier lifetim ...

AMER CHEMICAL SOC2019

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

Alfredo Pasquarello, Francesco Ambrosio, Zhendong Guo

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

Nickel iron diselenide compound, process for the preparation thereof and its use as a catalyst for oxygen evolution reaction

Xile Hu, Fang Song

The present invention relates to a nickel iron diselenide compound of general formula (I): NixFe1-xSe2, wherein 0 < x < 1, and to the use of this compound as a precursor of catalysts for oxygen evolution reaction (OER). This invention also concerns methods ...

2018

Microhydration of Dibenzo-18-Crown-6 Complexes with K+, Rb+, and Cs+ Investigated by Cold UV and IR Spectroscopy in the Gas Phase

Thomas Rizzo, Yoshiya Inokuchi

In this Article, we examine the hydration structure of dibenzo-18-crown-6 (DB18C6) complexes with K+, Rb+, and Cs+ ion in the gas phase. We measure well-resolved UV photodissociation (UVPD) spectra of K+·DB18C6·(H2O)n, Rb+·DB18C6·(H2O)n, and Cs+·DB18C6·(H2 ...

2018

A Decapeptide Hydrated by Two Waters: Conformers Determined by Theory and Validated by Cold Ion Spectroscopy

Oleg Boyarkine, Natalia Nagornova

The intrinsic structures of biomolecules in the gas phase may not reflect their native solution geometries. Microsolvation of the molecules bridges the two environments, enabling a tracking of molecular structural changes upon hydration at the atomistic le ...

American Chemical Society2017

Genetic Optimization of Training Sets for Improved Machine Learning Models of Molecular Properties

Ursula Röthlisberger, Anatole von Lilienfeld, Nicholas John Browning

The training of molecular models of quantum mechanical properties based on statistical machine learning requires large data sets which exemplify the map from chemical structure to molecular property. Intelligent a priori selection of training examples is o ...

2017