Publications associées à Formule structurale

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, Qixing Zhang

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

Accelerated Workflow for Antiperovskite-based Solid State Electrolytes

Andrea Fedrigucci, Ivano Eligio Castelli

We developed and implemented a multi-target multi-fidelity workflow to explore the chemical space of antiperovskite materials with general formula X(3)BA (X=Li, Na, Mg) and Pm-3m space group, searching for stable high-performance solid state electrolytes f ...

WILEY-V C H VERLAG GMBH2023

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

Francesco Stellacci, Stefan Guldin, Ye Yang, 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-V C H VERLAG GMBH2022

Random conical tilt reconstruction without particle picking in cryo-electron microscopy

Nicolas Boumal

A method is proposed to reconstruct the 3D molecular structure from micrographs collected at just one sample tilt angle in the random conical tilt scheme in cryo-electron microscopy. The method uses autocorrelation analysis on the micrographs to estimate f ...

INT UNION CRYSTALLOGRAPHY2022

Green solvents for chemical reactions

Jeremy Luterbacher, Anastasiia Komarova

The present invention relates to Use of a compound of the general formula (I), (II), (III), (IV), (V) or (VI) wherein R1 and R1', R21 and R21', R31 and R31' are the same and are hydrogen, a linear or branched C1 to C18 alkyl, a linear or branched C2 to C18 ...

2022

A new approach for identifying positional isomers of glycans cleaved from monoclonal antibodies

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Priyanka Bansal, Vasyl Yatsyna, Natalia Yalovenko

Glycosylation patterns in monoclonal antibodies (mAbs) can vary significantly between different host cell types, and these differences may affect mAbs safety, efficacy, and immunogenicity. Recent studies have demonstrated that glycan isomers with the termi ...

ROYAL SOC CHEMISTRY2021

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 ...

AMER CHEMICAL SOC2020

Exploring the Molecular Conformation Space by Soft Molecule- Surface Collision

Klaus Kern, Stephan Rauschenbach, Sabine Abb

Biomolecules function by adopting multiple conformations. Such dynamics are governed by the conformation landscape whose study requires characterization of the ground and excited conformation states. Here, the conformational landscape of a molecule is samp ...

AMER CHEMICAL SOC2020

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Formule structurale

Novel cathepsin inhibitors

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

Accelerated Workflow for Antiperovskite-based Solid State Electrolytes

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

Random conical tilt reconstruction without particle picking in cryo-electron microscopy

Green solvents for chemical reactions

A new approach for identifying positional isomers of glycans cleaved from monoclonal antibodies

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

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

Exploring the Molecular Conformation Space by Soft Molecule- Surface Collision

Graph Chatbot

Chattez avec Graph Search

Novel cathepsin inhibitors

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

Green solvents for chemical reactions

A new approach for identifying positional isomers of glycans cleaved from monoclonal antibodies

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

Accelerated Workflow for Antiperovskite-based Solid State Electrolytes

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

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

Exploring the Molecular Conformation Space by Soft Molecule- Surface Collision

Random conical tilt reconstruction without particle picking in cryo-electron microscopy