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Research Department Photonic Data Science

Scientific Profile

The working group Statistical Modelling and Image Analysis works on the optimal analysis of spectrometric and spectroscopic data as well as image data (microscopic image data, non-linear multi-contrast images, atomic force microscopic images, electron microscopic images). To carry out these analyses, methods of artificial intelligence, such as machine learning and deep learning, as well as chemometric methods are utilized. Furthermore, methods for the quantitative correlation of different measurement methods and for data fusion are developed. To support these analytical investigations, simulations of the sample - measuring method interaction are carried out. 

Research Topics

  • Machine learning for photonic image data, Publications [1-4]
  • Chemometrics for spectral data, Publications [5-8]
  • Correlation of different measurement methods and data fusion, Publications [9-11]

The work of the working group provides the basis for the application of new photonic methods for bio-medical questions. The evaluation methods are not only developed, researched and improved, but these evaluation methods are also tested in the application context, such as clinical studies.  

Addressed application fields

  • Bio-medical diagnostics using spectral measurement methods
  • Bio-medical diagnostics using imaging measurement techniques
  • Extraction of higher information from photonic measurement data


[1] T.W. Bocklitz, T. Dörfer, R. Heinke, M. Schmitt, and J. Popp. Spectrometer calibration protocol for Raman spectra recorded with different excitation wavelengths. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 05:544–549, 2015.
[2] Shuxia Guo, Thomas Bocklitz, and Jürgen Popp. Optimization of Raman-spectrum baseline correction in biological application. Analyst, in print:–, 2016.
[3] Shuxia Guo, Ralf Heinke, Stephan Stöckel, Petra Rösch, Thomas Bocklitz, and Jürgen Popp. Towards an improvement of model transferability for raman spectroscopy in biological applications. Vibrational Spectrocopy, akzeptiert, 2016.
[4] Oleg Ryabchykov, Thomas Bocklitz, Anuradha Ramoji, Ute Neugebauer, Martin Foester, Claus Kroegel, Michael Bauer, Michael Kiehntopf, and Juergen Popp. Automatization of spike correction in Raman spectra of biological samples. Chemom. Intell. Lab. Syst., 155:1–6, 2016.
[5] Fisseha Bekele Legesse, Olga Chernavskaia, Sandro Heuke, Thomas Bocklitz, Tobias Meyer, Jürgen Popp, and Rainer Heintzmann. Seamless stitching of tile scan microscope images. J. Microsc., 258:223–230, 2015.
[6] Thomas Bocklitz, Firas Subhi Salah, Nadine Vogler, Sandro Heuke, Olga Chernavskaia, Carsten Schmidt, Maximilian Waldner, Florian R. Greten, Rolf Bräuer, Michael Schmitt, Andreas Stallmach, Iver Petersen, and Juergen Popp. Combining CARS/TPEF/SHG multimodal imaging and Raman-spectroscopy as a fast and precise non-invasive pathological screening tool. BMC Cancer, akzeptiert, 2016.
[7] Olga Chernavskaia, Sandro Heuke, Michael Vieth, Oliver Friedrich, Sebastian Schürmann, Raja Atreya, Andreas Stallmach, Markus F. Neurath, Maximilian Waldner, Iver Petersen, Michael Schmitt, Thomas Bocklitz, and Jürgen Popp. Beyond endoscopic assessment in inflammatory bowel disease: real-time histology of disease activity by non-linear multimodal imaging. Scientific Reports, 6:29239, 2016.
[8] Sandro Heuke, Olga Chernavskaia, Thomas Bocklitz, Fisseha Bekele Legesse, Tobias Meyer, Denis Akimov, Olaf Dirsch, Günther Ernst, Ferdinand von Eggeling, Iver Petersen, Orlando Guntinas-Lichius, Michael Schmitt, and Jürgen Popp. Multimodal nonlinear microscopic investigations on head and neck squamous cell carcinoma – toward surgery assisting frozen section analysis. Head & Neck, online, 2016.
[9] Thomas Bocklitz, Katharina Bräutigam, Annett Urbanek, Franziska Hoffmann, Ferdinand von Eggeling, G ünther Ernst, Michael Schmitt, Ulrich Schubert, Orlando Guntinas-Lichius, and Jürgen Popp. Novel workflow for combining Raman-spectroscopy and MALDI-MSIs for tissue based studies. Analytical and Bioanalytical Chemistry, 407(26):7865–7873, 2015.
[10] Sebastian Dochow, Dinglong Ma, Ines Latka, Thomas Bocklitz, Brad Hartl, Julien Bec, Hussain Fatakdawala, Eric Marple, Kirk Urmey, Sebastian Wachsmann-Hogiu, Michael Schmitt, Laura Marcu, and Jürgen Popp. Combined fiber probe for fluorescence lifetime and Raman spectroscopy. Anal. Bioanal. Chem., 407:8291–301, 2015.
[11] R. Geitner, J. Kötteritzsch, M. Siegmann, T. W. Bocklitz, M. D. Hager, U. S. Schubert, B. Dietzek S. Gräfe and, M. Schmitt, and J. Popp. Two-dimensional Raman correlation spectroscopy reveals molecular structural changes during temperature-induced self-healing in polymers based on the Diels-Alder reaction. Phys. Chem. Chem. Phys., 17:22587–95, 2015.

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