Journal
ACS NANO
Volume 6, Issue 10, Pages 8847-8856Publisher
AMER CHEMICAL SOC
DOI: 10.1021/nn3027408
Keywords
electrically induced conformational change; molecule-gold interface; gold nanoparticle; surface-enhanced Raman spectroscopy; molecular dynamics
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Funding
- NIH [P41-RR005969]
- NSF [CBET-0708459, PHY0822613]
- University of Illinois at Urbana-Champaign
- NIH/NCI SCCNE Nanotechnology Grant
- National Center for Supercomputing Applications via Large Resources Allocation Committee [MCA93S028]
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Surface immobilized biomolecular probes are used in many areas of biomedical research, such as genomics, proteomics, immunology, and pathology. Although the structural conformations of small DNA and peptide molecules in free solution are well studied both theoretically and experimentally, the conformation of small biomolecules bound on surfaces, especially under the influence of external electric fields, is poorly understood. Using a combination of molecular dynamics simulation and surface-enhanced Raman spectroscopy, we study the external electric field-induced conformational change of dodecapeptide probes tethered to a nanostructured metallic surface. Surface-tethered peptides with and without phosphorylated tyrosine residues are compared to show that peptide conformational change under electric field is sensitive to biochemical modification. Our study proposes a highly sensitive in vitro nanoscale electro-optical detection and manipulation method for biomolecule conformation and charge at bio-nano interfaces.
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