Probing Silica-Biomolecule Interactions by Solid-State NMR and Molecular Dynamics Simulations
| Autor: | Eike Brunner, Rafael Gutierrez, Gianaurelio Cuniberti, Manfred Bobeth, Sergii Donets, Stephan I. Brückner, Arezoo Dianat |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
chemistry.chemical_classification
Chemistry Biomolecule Analytical chemistry Context (language use) 02 engineering and technology Surfaces and Interfaces Nuclear magnetic resonance spectroscopy 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics Resonance (chemistry) 01 natural sciences 0104 chemical sciences Molecular dynamics Solid-state nuclear magnetic resonance Heteronuclear molecule Electrochemistry Magic angle spinning Physical chemistry General Materials Science 0210 nano-technology Spectroscopy |
| Zdroj: | Langmuir : the ACS journal of surfaces and colloids. 32(44) |
| ISSN: | 1520-5827 |
| Popis: | Understanding the molecular interactions between inorganic phases such as silica and organic material is fundamental for chromatographic applications, for tailoring silica–enzyme interactions, and for elucidating the mechanisms of biomineralization. The formation, structure, and properties of the organic/inorganic interface is crucial in this context. Here, we investigate the interaction of selectively 13C-labeled choline with 29Si-labeled monosilicic acid/silica at the molecular level. Silica/choline nanocomposites were analyzed by solid-state NMR spectroscopy in combination with extended molecular dynamics (MD) simulations to understand the silica/organic interface. Cross-polarization magic angle spinning (CP MAS)-based NMR experiments like 1H–13C CP-REDOR (rotational-echo double resonance), 1H–13C HETCOR (heteronuclear correlation), and 1H–29Si–1H double CP are employed to determine spatial parameters. The measurement of 29Si–13C internuclear distances for selectively 13C-labeled choline provides an ex... |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|