Results 81 to 90 of about 346,816 (296)

Non-covalent interaction of boron and nitrogen atoms

Известия высших учебных заведений. Поволжский регион: Физико-математические науки
Background. The calculation of the interaction between boron and nitrogen atoms is interesting from the point of view of predicting physical properties and creating new dielectric materials and carbon-free nanomaterials.
A.A. Sokurov, S.S. Rekhviashvili
doaj   +1 more source

A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II

Biomolecules, 2020
Fragment screening is a powerful tool to identify and characterize binding pockets in proteins. We herein present the results of a proof-of-concept screening campaign of a versatile 96-entry fragment library from our laboratory against the drug target ...
Steffen Glöckner, Andreas Heine, Gerhard Klebe   +2 more
doaj   +1 more source

Virtual Screening of Peptide and Peptidomimetic Fragments Targeted to Inhibit Bacterial Dithiol Oxidase DsbA. [PDF]

PLoS ONE, 2015
Antibacterial drugs with novel scaffolds and new mechanisms of action are desperately needed to address the growing problem of antibiotic resistance. The periplasmic oxidative folding system in Gram-negative bacteria represents a possible target for anti-
Wilko Duprez, Prabhakar Bachu, Martin J Stoermer, Stephanie Tay, Róisín M McMahon, David P Fairlie, Jennifer L Martin   +6 more
doaj   +1 more source

Electrochemical sensors modified with combinations of sulfur containing phthalocyanines and capped gold nanoparticles: A study of the influence of the nature of the interaction between sensing materials [PDF]

, 2019
Producción CientíficaVoltametric sensors formed by the combination of a sulfur-substituted zinc phthalocyanine (ZnPcRS) and gold nanoparticles capped with tetraoctylammonium bromide (AuNPtOcBr) have been developed.
García Cabezón, Ana Cristina, García Hernández, Celia, Martín Pedrosa, Fernando, Ortiz, Javier, Rodríguez Méndez, María Luz, Rodríguez Pérez, Miguel Ángel, Ruiz Carmuega, Ana Isabel, Sastre Santos, Ángela   +7 more
core   +1 more source

Zein‐Based Adhesives: Sustainable Extraction and Application in Bioadhesive Technologies

Advanced Engineering Materials, EarlyView.
Zein is extracted from corn gluten meal using a simple and scalable process with high yield (~90%). The resulting protein is applied in bioadhesives modified with Ca2+ and Fe3+ ions, exhibiting substrate‐dependent adhesion. The findings demonstrate competitive bonding performance and highlight the role of ionic interactions in tuning adhesion ...
Paula Bertolino Sanvezzo, Daniela Winsley Valereto Friozi, Vinícius de Oliveira, Marcia Cristina Branciforti   +3 more
wiley   +1 more source

Covalent and non-covalent interactions between catechin and anchovy derived pentapeptides PAYCS: the differential neuroprotective effects on APP/PS1 amnesia mice

Food Science and Human Wellness
Interactions between proteins/peptides and polyphenols have been widely investigated to improve their properties and functions. Previous studies have shown that covalent and non-covalent products exhibit different structural and bioactivity ...
Tiantian Zhao, Jieqiong Chen, Jun Liu, Lijun Zhang, Yue Luo, Qingrong Huang, Weifeng Liu, Yehui Zhang, Jianan Zhang   +8 more
doaj   +1 more source

Solvent and Substituent Effects on the Phosphine + CO2 Reaction

Inorganics, 2018
A theoretical study of the substituent and solvent effects on the reaction of phosphines with CO2 has been carried out by means of Møller-Plesset (MP2) computational level calculations and continuum polarizable method (PCM) solvent models.
Ibon Alkorta, Cristina Trujillo, Goar Sánchez-Sanz, José Elguero   +3 more
doaj   +1 more source

Development of Sustainable MgO–C Refractories Using MgO–C Recyclates and a Novel Eco‐Friendly Fructose–Tannin Binder Crosslinked With Citric Acid

Advanced Engineering Materials, EarlyView.
This study develops sustainable MgO–C refractories using recycled materials and eco‐friendly fructose–tannin binders. The enhanced performance of citric acid as a cross‐linker and functional additives on mechanical and thermomechanical properties was examined. Characterization included strength tests, immersion trials, and microstructural and inclusion
Dinesh K. Gunasekar, Jana Hubálková, Steffen Dudczig, Gert Schmidt, Florian Kerber, Thomas Schemmel, Patrick Gehre, Christos G. Aneziris   +7 more
wiley   +1 more source

Superconductivity near a ferroelectric quantum critical point in ultralow-density Dirac materials

, 2019
The experimental observation of superconductivity in doped semimetals and semiconductors, where the Fermi energy is comparable to or smaller than the characteristic phonon frequencies, is not captured by the conventional theory. In this paper, we propose
Bi, Zhen, Kozii, Vladyslav, Ruhman, Jonathan   +2 more
core   +1 more source

Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization

Advanced Engineering Materials, EarlyView.
Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, Chris Taake, Martin Wortmann   +17 more
wiley   +1 more source