TITLE:
Teraherz vibrational spectroscopy of E. coli and molecular constituents: Computational modeling and experiment
AUTHORS:
Tatiana Globus, Igor Sizov, Boris Gelmont
KEYWORDS:
Bacterial; Strains; MD; Modeling; Experiment; Components; Absorption; Signatures
JOURNAL NAME:
Advances in Bioscience and Biotechnology,
Vol.4 No.3A,
March
29,
2013
ABSTRACT: In this paper we present the results of our research
of E. coli cells and cellular components,
DNA and protein thioredoxin, using highly resolved sub-Terahertz (THz) vibrational
spectroscopy. In this combined research, the results from experimental spectroscopy
are analyzed via molecular dynamics (MD) simulation of vibrational modes and absorption spectra from E. coli cells and constituents in the sub-THz
range. Simplified models of DNA macromolecules with a short sequencing have been
constructed for several E. coli strains
with the goal to predict their absorption spectra. The similarity between spectral
characteristics of E. coli cells and
cellular components observed in experiments helps us to better understand the mechanism of material interaction with THz radiation and to add genetic information
to the characteristic signatures from biological objects. Modeling results supported
by experimental characterization using a spectroscopic sensor prototype developed
and built by Vibratess confirm that an optical, label and reagent free technique
can be used to examine, detect, and identify bacterial cells with high accuracy
and selectivity to the level of strains.