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Theory for polymer analysis using nanopore-based single-molecule mass spectrometry.

Joseph E Reiner1, John J Kasianowicz, Brian J Nablo

  • 1Semiconductor Electronics Division, Electronics and Electrical Engineering Laboratory, National Institute of Standards and Technology, 100 Bureau Drive, Gaithersburg, MD 20899-8120, USA. joseph.reiner@nist.gov

Proceedings of the National Academy of Sciences of the United States of America
|June 23, 2010
PubMed
Summary

We developed a new model for nanopore sensing. This model accurately predicts how molecules like poly(ethylene glycol) interact within nanopores, improving chemical analysis and biomedical detection.

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Area of Science:

  • Biophysics
  • Analytical Chemistry
  • Materials Science

Background:

  • Nanometer-scale pores are crucial for detecting and characterizing molecules in biomedical and chemical applications.
  • Existing theoretical models often lack comprehensive descriptions of solute, solvent, analyte, and nanopore interactions.

Purpose of the Study:

  • To develop a theoretical model that simultaneously describes current blockade depth and residence times for molecules in nanopores.
  • To investigate the interactions between poly(ethylene glycol) (PEG) molecules and the alpha-hemolysin ion channel.

Main Methods:

  • Developed a physical model incorporating polymer-cation binding within a single alpha-hemolysin ion channel.
  • Simultaneously modeled current blockade depth and residence times of individual PEG molecules.
  • Estimated free energy of formation for K(+)-PEG and PEG partitioning within the nanopore.

Main Results:

  • The model accurately describes the reduction in mobile cation concentration and increased polymer-pore affinity due to polymer-cation binding.
  • Estimated the free energy of K(+)-PEG formation inside the nanopore at approximately -49.7 meV.
  • Quantified the free energy of PEG partitioning into the nanopore at approximately 0.76 meV per ethylene glycol monomer.

Conclusions:

  • Rational, physics-based models are essential for understanding analyte-nanopore interactions.
  • This model enhances the potential of nanopore-based sensing for advanced chemical and biological analyses.
  • The findings pave the way for more precise molecular characterization using nanopore technology.