Highly Resolved Sub-Terahertz Vibrational Spectroscopy of Biological Macromolecules and Cells

Globus, Tatiana; Moyer, Aaron; Gelmont, Boris; Khromova, T.; Lvovska, M I; Sizov, Igor; Ferrance, Jerome P.

doi:10.1109/jsen.2012.2224333

Cited by 26 publications

(27 citation statements)

References 9 publications

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“…This technique has been successfully applied in various applications including counterfeit detection of pharmaceutical drugs, identification of explosives and biological molecules [1][2][3].…”

Section: Introductionmentioning

confidence: 99%

Terahertz Spectroscopy and Solid-State Density Functional Theory Calculations of Cyanobenzaldehyde Isomers

et al. 2015

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Spectral signatures in the terahertz (THz) frequency region are mainly due to bulk vibrations of the molecules. These resonances are highly sensitive to the relative position of atoms in a molecule as well as the crystal packing arrangement. To understand the variation of THz resonances, THz spectra (2-10 THz) of three structural isomers: 2-, 3-, and 4-cyanobenzaldehyde have been studied. THz spectra obtained from Fourier transform infrared (FTIR) spectrometry of these isomers show that the resonances are distinctly different especially below 5 THz. For understanding the intermolecular interactions due to hydrogen bonds, four molecule cluster simulations of each of the isomers have been carried out using the B3LYP density functional with the 6-31G(d,p) basis set in Gaussian09 software and the compliance constants are obtained. However, to understand the exact reason behind the observed resonances, simulation of each isomer considering the full crystal structure is essential. The crystal structure of each isomer has been determined using X-ray diffraction (XRD) analysis for carrying out crystal structure simulations. Density functional theory (DFT) simulations using CRYSTAL14 software, utilizing the hybrid density functional B3LYP, have been carried out to understand the vibrational modes. The bond lengths and bond angles from the optimized structures are compared with the XRD results in terms of root-mean-square-deviation (RMSD) values. Very low RMSD values confirm the overall accuracy of the results. The simulations are able to predict most of the spectral features exhibited by the isomers. The results show that low frequency modes (<3 THz) are mediated through hydrogen bonds and are dominated by intermolecular vibrations.

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Section: Introductionmentioning

confidence: 99%

Terahertz Spectroscopy and Solid-State Density Functional Theory Calculations of Cyanobenzaldehyde Isomers

et al. 2015

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“…Experimental results from measurements with high spectral resolution (1 GHz or 0.03 cm -1 ) produce spectra with very intense and narrow spectral features from biological molecules and bacteria having peak widths between 0.05 cm -1 and 0.2 cm -1 [19][20][21][22]. These features were not evident in results from earlier measurements having a resolution of 0.25 cm ) is a newly emerging technique for fingerprinting biological molecules and other materials.…”

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confidence: 99%

“…A new, frequency domain, near field spectroscopic instrument with imaging capability combined with a microchip for sample material that permits characterization of traces amounts of biological materials at room temperature has been recently introduced [20]. This novel continuous wave, frequency domain instrument relies on a very strong local enhancement of the electromagnetic field, which allows increased coupling of the THz radiation with the sample biomaterials.…”

mentioning

confidence: 99%

“…Over the last 3 years, this new, sub-THz spectroscopic instrument was used to measure transmission/absorption spectra from biomolecules and cells demonstrating very intense and narrow spectral features with widths between 0.05 cm -1 and 0.15 cm -1 [20,[27][28][29] that reflect low frequency molecular motions. It was found that experimental spectra from biomolecules correlate reasonably well with computational predictions, that the spectra from different cells are sufficiently different, and that cells can be identified based on their spectral signature.…”

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confidence: 99%

“…Very recently the new THz spectroscopic technique and system having high spectral and spatial resolution [20] was demonstrated in application for potential quantification of molecules such as micro-RNAs in cancer cells and body liquids with further potential development leading to clinical analysis of cancer [29]. Combined experimental and computational approaches were used to investigate the ability of sub-THz spectroscopy to identify and quantify biological molecules.…”

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confidence: 99%

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Sub-terahertz Vibrational Spectroscopy with High Resolution for Biological Molecules and Cells Identification

Globus¹

2016

J Biomol Res Ther

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Rapid and label-free detection and assessment of bacteria by terahertz time-domain spectroscopy

et al. 2016

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Here we demonstrated the potential and applicability of terahertz (THz) spectroscopy to detect four commonly found bacteria in the infectious diseases. Besides the different spectral characteristics between bacterial species, THz absorption differences for living bacteria, dead bacteria and bacterial powder of the same species were also investigated. Our results revealed that small differences in water contents between bacterial cells account for distinct discrepancies of the absorption coefficients, which can be used for bacterial species identification. Furthermore, living and dead bacteria showed different absorption coefficients as a result of their different hydration levels, suggesting that THz spectroscopy can be used to rapidly assess the living state of bacteria under test. Our results clearly demonstrated the ability of THz spectroscopy for time-saving and label-free detection of bacteria with minimal sample preparation, potentially to be utilized for point-of-care tests in the near future. Schematic representation of bacterial detection by THz spectroscopy. Different bacteria have distinctive absorption coefficients as a result of their different water contents.

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Highly Resolved Sub-Terahertz Vibrational Spectroscopy of Biological Macromolecules and Cells

Cited by 26 publications

References 9 publications

Terahertz Spectroscopy and Solid-State Density Functional Theory Calculations of Cyanobenzaldehyde Isomers

Terahertz Spectroscopy and Solid-State Density Functional Theory Calculations of Cyanobenzaldehyde Isomers

Sub-terahertz Vibrational Spectroscopy with High Resolution for Biological Molecules and Cells Identification

Rapid and label-free detection and assessment of bacteria by terahertz time-domain spectroscopy

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