Determining hydrogen-bond interactions in spider silk with 1H-13C HETCOR fast MAS solid-state NMR and DFT proton chemical shift calculations

Gregory P. Holland, Qiushi Mou, Jeffery Yarger

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

Two-dimensional (2D) 1H-13C heteronuclear correlation (HETCOR) solid-state NMR spectra collected with fast magic angle spinning (MAS) are used in conjunction with density functional theory (DFT) proton chemical shift calculations to determine the hydrogen-bonding strength for ordered β-sheet and disordered 310-helical structures in spider dragline silk. The hydrogen-bond strength is determined to be identical for both structures in spider silk with a 1.83-1.84 Å NH⋯OC hydrogen-bond distance.

Original languageEnglish (US)
Pages (from-to)6680-6682
Number of pages3
JournalChemical Communications
Volume49
Issue number59
DOIs
StatePublished - Jul 28 2013

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Magic angle spinning
Silk
Chemical shift
Density functional theory
Protons
Hydrogen bonds
Nuclear magnetic resonance

ASJC Scopus subject areas

  • Metals and Alloys
  • Materials Chemistry
  • Surfaces, Coatings and Films
  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Catalysis
  • Chemistry(all)

Cite this

Determining hydrogen-bond interactions in spider silk with 1H-13C HETCOR fast MAS solid-state NMR and DFT proton chemical shift calculations. / Holland, Gregory P.; Mou, Qiushi; Yarger, Jeffery.

In: Chemical Communications, Vol. 49, No. 59, 28.07.2013, p. 6680-6682.

Research output: Contribution to journalArticle

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