Sunday, 23 April 2017

Intermolecular anharmonicity in molecular crystals: interplay between experimental low-frequency dynamics and quantum quasi-harmonic simulations of solid purine

Ruggiero, Michael T., J. Axel Zeitler, and Alessandro Erba. "Intermolecular anharmonicity in molecular crystals: interplay between experimental low-frequency dynamics and quantum quasi-harmonic simulations of solid purine." Chemical Communications (2017).


Image result for axel terahertzThe intermolecular anharmonic potential of crystalline purine is probed by means of temperature-dependent terahertz time-domain spectroscopy, low-frequency Raman scattering, X-ray diffraction, and ab initio quasi-harmonic quantum-chemical simulations. As temperature increases, anharmonicity in the intermolecular interactions results in strongly anisotropic thermal expansion – with a negative thermal expansion along the b crystallographic axis – yielding corresponding bulk structural modifications. The observed thermally-induced shifts of most vibrational bands in the terahertz region of the spectra are shown to arise from volume-dependent thermal changes of the hydrogen-bond pattern along the a and b crystallographic axes.

Dr Zeilter's group uses a TeraPulse 4000 for more information see

Friday, 21 April 2017

Non-contact paint thickness measurement system for industrial deployment

We present a non-contact, multi-layer coating thickness sensor based on the use of pulsed terahertz light.
The coated surface is illuminated from a short distance with a terahertz light pulse. The reflected signal, containing reflections at the interface of adjacent coating layers, is analysed to determine the thickness of each layer.
The unit has been designed and tested for deployment in manufacturing environments and is available in both manual and automated (robotic) forms.
Being non-contact, it offers significant advantages over existing technologies: for example, line scans and measurement of curved surfaces, including windshield flanges.
The system has been tested by a number of automobile manufacturers. Summary results of trials are discussed.
For more information see
Also, see

Terahertz Imaging of Three-Dimensional Dehydrated Breast Cancer Tumors

T. Bowman, Y. Wu, J. Gauch, L. K. Campbell, and M. El-Shenawee

Bowman, T., Wu, Y., Gauch, J. et al. J Infrared Milli Terahz Waves (2017) 38: 766. doi:10.1007/s10762-017-0377-y

Professor Magda El-Shenawee and graduate assistant, Tyler Bowman, use THz imaging technology to assess the margins of cancerous breast tumors.
This work presents the application of terahertz imaging to three-dimensional formalin-fixed, paraffin-embedded human breast cancer tumors. The results demonstrate the capability of terahertz for in-depth scanning to produce cross section images without the need to slice the tumor. Samples of tumors excised from women diagnosed with infiltrating ductal carcinoma and lobular carcinoma are investigated using a pulsed terahertz time domain imaging system. A time of flight estimation is used to obtain vertical and horizontal cross section images of tumor tissues embedded in paraffin block. Strong agreement is shown comparing the terahertz images obtained by electronically scanning the tumor in-depth in comparison with histopathology images. The detection of cancer tissue inside the block is found to be accurate to depths over 1 mm. Image processing techniques are applied to provide improved contrast and automation of the obtained terahertz images. In particular, unsharp masking and edge detection methods are found to be most effective for three-dimensional block imaging.

For more information about Professor El-Shenawee see

For more information about TeraView visit