Publikationen

2023

Jhonatan Contreras, Thomas Bocklitz: Agnostic eXplainable Artificial Intelligence (XAI) Method Based on Volterra Series. In: Proceedings of the 12th International Conference on Pattern Recognition Applications and Methods. - Sétubal : SciTePress, 2023. - S. 597-606.
doi:10.5220/0011889700003411

Marcel Vetter, Maximilian J. Waldner, Sebastian Zundler, Daniel Klett, Thomas Bocklitz, Markus F. Neurath, Werner Adler, Daniel Jesper: Artificial intelligence for the classification of focal liver lesions in ultrasound : a systematic review. In: Ultraschall in der Medizin = European Journal of Ultrasound, 44 (2023). - S. 395-407.
doi:10.1055/a-2066-9372

Milena Królikowska, Thomas Bocklitz: Transfer learning for Raman spectroscopy in biological applications : A case study for bacterial classification (Conference Presentation). In: Advanced Chemical Microscopy for Life Science and Translational Medicine 2023. - Bellingham, Wash. : SPIE, 2023.
doi:10.1117/12.2651063

Aikaterini Pistiki, Oleg Ryabchykov, Thomas Bocklitz, Petra Rösch, Jürgen Popp: Use of polymers as wavenumber calibration standards in deep-UVRR. In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 287, Part 2 (2023). - .
doi:10.1016/j.saa.2022.122062

2022

Amir Nakar, Aikaterini Pistiki, Oleg Ryabchykov, Thomas Bocklitz, Petra Rösch, Jürgen Popp: Label‐free differentiation of clinical E. coli and Klebsiella isolates with Raman spectroscopy. In: Journal of Biophotonics, 15 (2022). - .
doi:10.1002/jbio.202200005

Xiao-Yang Liu, Shuxia Guo, Thomas Bocklitz, Petra Rösch, Jürgen Popp, Han-Qing Yu: Nondestructive 3D Imaging and Quantification of Hydrated Biofilm Matrix by Confocal Raman Microscopy Coupled with Non-Negative Matrix Factorization. In: Water Research, 210 (2022). - .
doi:10.1016/j.watres.2021.117973

Aikaterini Pistiki, Franziska Hornung, Anja Silge, Anuradha Ramoji, Oleg Ryabchykov, Thomas Bocklitz, Karina Weber, Bettina Löffler, Jürgen Popp, Stefanie Deinhardt‐Emmer: Raman spectroscopic cellomics for the detection of SARS‐CoV‐2‐associated neutrophil activation after TNF‐α stimulation. In: Clinical and Translational Medicine, 12 (2022). - .
doi:10.1002/ctm2.1139

Marcel Dahms, Simone Eiserloh, Jürgen Rödel, Oliwia Makarewicz, Thomas Bocklitz, Jürgen Popp, Ute Neugebauer: Raman Spectroscopic Differentiation of Streptococcus pneumoniae From Other Streptococci Using Laboratory Strains and Clinical Isolates. In: Frontiers in Cellular and Infection Microbiology, 12 (2022). - .
doi:10.3389/fcimb.2022.930011

Dana Cialla-May, Christoph Krafft, Petra Rösch, Tanja Deckert-Gaudig, Torsten Frosch, Izabella J. Jahn, Susanne Pahlow, Clara Stiebing, Tobias Meyer-Zedler, Thomas Bocklitz, Iwan Schie, Volker Deckert, Jürgen Popp: Raman Spectroscopy and Imaging in Bioanalytics. In: Analytical Chemistry, 94 (2022). - S. 86-119.
doi:10.1021/acs.analchem.1c03235

Darina Storozhuk, Oleg Ryabchykov, Jürgen Popp, Thomas Bocklitz: RAMANMETRIX : a delightful way to analyze Raman spectra.. - arXiv, 2022. -
doi:10.48550/arXiv.2201.07586

Kazi Sultana Farhana Azam, Oleg Ryabchykov, Thomas Bocklitz: A Review on Data Fusion of Multidimensional Medical and Biomedical Data. In: Molecules, 27 (2022). - .
doi:10.3390/molecules27217448

Rodrigo Escobar Díaz Guerrero, Lina Carvalho, Thomas Bocklitz, Jürgen Popp, José Luis Oliveira: Software tools and platforms in Digital Pathology : a review for clinicians and computer scientists. In: Journal of Pathology Informatics, 13 (2022). - .
doi:10.1016/j.jpi.2022.100103

Elen Tolstik, Nairveen Ali, Irina Schuler, Johann Dierks, Dorothe Möllmann, Paula Arias-Loza, Hideo A. Baba, Peter Nordbeck, Thomas Bocklitz, Kristina Lorenz: Biospectroscopic imaging for diagnostics of cardiac involvements of Morbus Fabry. In: Journal of Molecular and Cellular Cardiology, 173 (2022). - S. 99.
doi:10.1016/j.yjmcc.2022.08.199

Elen Tolstik, Nairveen Ali, Shuxia Guo, Paul Ebersbach, Dorothe Möllmann, Paula Arias-Loza, Johann Dierks, Irina Schuler, Erik Freier, Jörg Debus, Hideo A. Baba, Peter Nordbeck, Thomas Bocklitz, Kristina Lorenz: CARS Imaging Advances Early Diagnosis of Cardiac Manifestation of Fabry Disease. In: International Journal of Molecular Sciences, 23 (2022). - .
doi:10.3390/ijms23105345

Björn Lorenz, Shuxia Guo, Christoph Raab, Patrick Leisching, Thomas Bocklitz, Petra Rösch, Jürgen Popp: Comparison of conventional and shifted excitation Raman difference spectroscopy for bacterial identification. In: Journal of Raman Spectroscopy, 53 (2022). - S. 1285-1292.
doi:10.1002/jrs.6360

Aikaterini Pistiki, Stefan Monecke, Haodong Shen, Oleg Ryabchykov, Thomas Bocklitz, Petra Rösch, Ralf Ehricht, Jürgen Popp: Comparison of Different Label-Free Raman Spectroscopy Approaches for the Discrimination of Clinical MRSA and MSSA Isolates. In: Microbiology Spectrum, 10 (2022). - .
doi:10.1128/spectrum.00763-22

Ruihao Luo, Jürgen Popp, Thomas Bocklitz: Deep Learning for Raman Spectroscopy : A Review. In: Analytica, 3 (2022). - S. 287-301.
doi:10.3390/analytica3030020

Amir Nakar, Aikaterini Pistiki, Oleg Ryabchykov, Thomas Bocklitz, Petra Rösch, Jürgen Popp: Detection of multi-resistant clinical strains of E. coli with Raman spectroscopy. In: Analytical and Bioanalytical Chemistry, 414 (2022). - S. 1481-1492.
doi:10.1007/s00216-021-03800-y

2021

Christina Wichmann, Thomas Bocklitz, Petra Rösch, Jügen Popp: Bacterial phenotype dependency from CO₂ measured by Raman spectroscopy. In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 248 (2021). - .
doi:10.1016/j.saa.2020.119170

Aikaterini Pistiki, Anuradha Ramoji, Oleg Ryabchykov, Daniel Thomas-Rüddel, Adrian T. Press, Oliwia Makarewicz, Evangelos J. Giamarellos-Bourboulis, Michael Bauer, Thomas Bocklitz, Jürgen Popp, Ute Neugebauer: Biochemical Analysis of Leukocytes after In Vitro and In Vivo Activation with Bacterial and Fungal Pathogens Using Raman Spectroscopy. In: International Journal of Molecular Sciences, 22 (2021). - .
doi:10.3390/ijms221910481

Shuxia Guo, Jürgen Popp, Thomas Bocklitz: Chemometric Analysis in Raman Spectroscopy from Experimental Design to Machine Learning-based Modelling. In: Nature Protocols, 16 (2021). - S. 5426-5459.
doi:10.1038/s41596-021-00620-3

Rola Houhou, Petra Rösch, Jürgen Popp, Thomas Bocklitz: Comparison of functional and discrete data analysis regimes for Raman spectra. In: Analytical and Bioanalytical Chemistry, 413 (2021). - S. 5633-5644.
doi:10.1007/s00216-021-03360-1

Pranita Pradhan, Tobias Meyer, Michael Vieth, Andreas Stallmach, Maximilian Waldner, Michael Schmitt, Jürgen Popp, Thomas Bocklitz: Computational tissue staining of non-linear multimodal imaging using supervised and unsupervised deep learning. In: Biomedical Optics Express, 12 (2021). - S. 2280-2298.
doi:10.1364/BOE.415962

Pranita Pradhan, Katharina Köhler, Shuxia Guo, Olga Rosin, Jürgen Popp, Axel Niendorf, Thomas Bocklitz: Data Fusion of Histological and Immunohistochemical Image Data for Breast Cancer Diagnostics using Transfer Learning. In: Proceedings of the 10th International Conference on Pattern Recognition Applications and Methods. Volume 1. - Sétubal : SciTePress, 2021. - S. 495-506.
doi:10.5220/0010225504950506

Nairveen Ali, Christian Bolenz, Tilman Todenhöfer, Arnulf Stenzel, Peer Deetmar, Martin Kriegmair, Thomas Knoll, Stefan Porubsky, Arndt Hartmann, Jürgen Popp, Maximilian C. Kriegmair, Thomas Bocklitz: Deep learning-based classification of blue light cystoscopy imaging during transurethral resection of bladder tumors. In: Scientific Reports, 11 (2021). - .
doi:10.1038/s41598-021-91081-x

Lea Fellner, Marian Kraus, Arne Walter, Frank Duschek, Thomas Bocklitz, Valentina Gabbarini, Riccardo Rossi, Alessandro Puleio, Andrea Malizia, Pasquale Gaudio: Determination of Composition of Mixed Biological Samples Using Laser-Induced Fluorescence and Combined Classification/Regression Models. In: The European Physical Journal Plus, 136 (2021). - .
doi:10.1140/epjp/s13360-021-02019-1

Johannes Schleusener, Shuxia Guo, Maxim E. Darvin, Gisela Thiede, Olga Chernavskaia, Florian Knorr, Jürgen Lademann, Jürgen Popp, Thomas Bocklitz: Fiber-based SORS-SERDS system and chemometrics for the diagnostics and therapy monitoring of psoriasis inflammatory disease in vivo. In: Biomedical Optics Express, 12 (2021). - S. 1123-1135.
doi:10.1364/BOE.413922

Shuxia Guo, Anja Silge, Hyeonsoo Bae, Tatiana Tolstik, Tobias Meyer, Georg Matziolis, Michael Schmitt, Jürgen Popp, Thomas Bocklitz: FLIM data analysis based on Laguerre polynomial decomposition and machine-learning. In: Journal of Biomedical Optics, 26 (2021). - .
doi:10.1117/1.JBO.26.2.022909

Julian Hniopek, Carolin Müller, Thomas Bocklitz, Michael Schmitt, Benjamin Dietzek, Jürgen Popp: Kinetic-Model-Free Analysis of Transient Absorption Spectra Enabled by 2D Correlation Analysis. In: The Journal of Physical Chemistry Letters, 12 (2021). - S. 4148-4153.
doi:10.1021/acs.jpclett.1c00835

Anuradha Ramoji, Daniel Thomas-Rüddel, Oleg Ryabchykov, Michael Bauer, Natalie Arend, Evangelos J. Giamarellos-Bourboulis, Jesper Eugen-Olsen, Michael Kiehntopf, Thomas Bocklitz, Jürgen Popp, Frank Bloos, Ute Neugebauer: Leukocyte Activation Profile Assessed by Raman Spectroscopy Helps Diagnosing Infection and Sepsis. In: Critical Care Explorations, 3 (2021). - .
doi:10.1097/CCE.0000000000000394

Georgette Azemtsop Matanfack, Martin Taubert, Shuxia Guo, Thomas Bocklitz, Kirsten Küsel, Petra Rösch, Jürgen Popp: Monitoring Deuterium Uptake in Single Bacterial Cells via Two-Dimensional Raman Correlation Spectroscopy. In: Analytical Chemistry, 93 (2021). - S. 7714-7723.
doi:10.1021/acs.analchem.1c01076

Tatiana Kirchberger-Tolstik, Oleg Ryabchykov, Thomas Bocklitz, Olaf Dirsch, Utz Settmacher, Jürgen Popp, Andreas Stallmach: Nondestructive molecular imaging by Raman spectroscopy vs. marker detection by MALDI IMS for an early diagnosis of HCC. In: Analyst, 146 (2021). - S. 1239-1252.
doi:10.1039/D0AN01555E

Julian Hniopek, Thomas Bocklitz, Michael Schmitt, Jürgen Popp: Probing Protein Secondary Structure Influence on Active Centers with Hetero Two-Dimensional Correlation (Resonance) Raman Spectroscopy : A Demonstration on Cytochrome C. In: Applied Spectroscopy, 75 (2021). - S. 1043-1052.
doi:10.1177/00037028211028916

Rola Houhou, Thomas Bocklitz: Trends in artificial intelligence, machine learning, and chemometrics applied to chemical data. In: Analytical Science Advances, 2 (2021). - S. 128-141.
doi:10.1002/ansa.202000162

Jing Huang, Nairveen Ali, Elsie Quansah, Shuxia Guo, Michel Noutsias, Tobias Meyer-Zedler, Thomas Bocklitz, Jürgen Popp, Ute Neugebauer, Anuradha Ramoji: Vibrational Spectroscopic Investigation of Blood Plasma and Serum by Drop Coating Deposition for Clinical Application. In: International Journal of Molecular Sciences, 22 (2021). - .
doi:10.3390/ijms22042191

Nairveen Ali, Jeroen Jansen, André van den Doel, Gerjen Herman Tinnevelt, Thomas Bocklitz: WE-ASCA: The Weighted-Effect ASCA for Analyzing Unbalanced Multifactorial Designs : A Raman Spectra-Based Example. In: Molecules, 26 (2021). - .
doi:10.3390/molecules26010066

2020

Marcello Locatelli, Roberto Mandrioli, Victoria Samanidou, Thomas Bocklitz: Analytica : A Journal of Analytical Chemistry and Chemical Analysis. In: Analytica, 1 (2020). - S. 12-13.
doi:10.3390/analytica1010002

Oleg Ryabchykov, Shuxia Guo, Thomas Bocklitz: Analyzing Raman spectroscopic data. In: Jürgen Popp, Thomas Mayerhöfer (Hrsg.): Micro-Raman Spectroscopy : Theory and Application. - Berlin ; Boston : De Gruyter, 2020. - S. 81-106.
doi:10.1515/9783110515312-004

Shuxia Guo, Oleg Ryabchykov, Nairveen Ali, Rola Houhou, Thomas Bocklitz: Chemometrics in Raman Spectroscopy. In: Comprehensive Chemometrics : Chemical and Biochemical Data Analysis. Second Edition. Volume 4. - San Diego : Elsevier, 2020. - S. 333-359.
doi:10.1016/B978-0-12-409547-2.14600-1

Shuxia Guo, Claudia Beleites, Ute Neugebauer, Sara Abalde-Cela, Nils Kristian Afseth, Fatima Alsamad, Suresh Anand, Cuauhtemoc Araujo-Andrade, Sonja Aškrabić, Ertug Avci, Monica Baia, Malgorzata Baranska, Enrico Baria, Luis A. E. Batista de Carvalho, Philippe de Bettignies, Alois Bonifacio, Franck Bonnier, Eva Maria Brauchle, Hugh J. Byrne, Igor Chourpa, Riccardo Cicchi, Frederic Cuisinier, Mustafa Culha, Marcel Dahms, Catalina David, Ludovic Duponchel, Shiyamala Duraipandian, Samir F. El-Mashtoly, David I. Ellis, Gauthier Eppe, Guillaume Falgayrac, Ozren Gamulin, Benjamin Gardner, Peter Gardner, Klaus Gerwert, Evangelos J. Giamarellos-Bourboulis, Sveinbjorn Gizurarson, Marcin Gnyba, Royston Goodacre, Patrick Grysan, Orlando Guntinas-Lichius, Helga Helgadottir, Vlasta Mohaček Grošev, Catherine Kendall, Roman Kiselev, Micha Kölbach, Christoph Krafft, Sivashankar Krishnamoorthy, Patrick Kubryck, Bernhard Lendl, Pablo Loza-Alvarez, Fiona M. Lyng, Susanne Machill, Cedric Malherbe, Monica Marro, Maria Paula M. Marques, Ewelina Matuszyk, Carlo Francesco Morasso, Myriam Moreau, Howbeer Muhamadali, Valentina Mussi, Ioan Notingher, Marta Z. Pacia, Francesco S. Pavone, Guillaume Penel, Dennis Petersen, Olivier Piot, Julietta V. Rau, Marc Richter, Maria Krystyna Rybarczyk, Hamideh Salehi, Katja Schenke-Layland, Sebastian Schlücker, Markus Schosserer, Karin Schütze, Valter Sergo, Faris Sinjab, Janusz Smulko, Ganesh D. Sockalingum, Clara Stiebing, Nick Stone, Valérie Untereiner, Renzo Vanna, Karin Wieland, Jürgen Popp, Thomas Bocklitz: Comparability of Raman Spectroscopic Configurations : A Large Scale Cross-Laboratory Study. In: Analytical Chemistry, 92 (2020). - S. 15745-15756.
doi:10.1021/acs.analchem.0c02696

Pranita Pradhan, Shuxia Guo, Oleg Ryabchykov, Jürgen Popp, Thomas Bocklitz: Deep learning a boon for Biophotonics?. In: Journal of Biophotonics, 13 (2020). - .
doi:10.1002/jbio.201960186

Rola Houhou, Parijat Barman, Michael Schmitt, Tobias Meyer, Jürgen Popp, Thomas Bocklitz: Deep learning as phase retrieval tool for CARS spectra. In: Optics Express, 28 (2020). - S. 21002-21024.
doi:10.1364/OE.390413

Shuxia Guo, Thomas Mayerhöfer, Susanne Pahlow, Uwe Hübner, Jürgen Popp, Thomas Bocklitz: Deep learning for "artefact" removal in infrared spectroscopy. In: Analyst, 145 (2020). - S. 5213-5220.
doi:10.1039/D0AN00917B

Björn Lorenz, Nairveen Ali, Thomas Bocklitz, Petra Rösch, Jürgen Popp: Discrimination between pathogenic and non-pathogenic E. coli strains by means of Raman microspectroscopy. In: Analytical and Bioanalytical Chemistry, 412 (2020). - S. 8241-8247.
doi:10.1007/s00216-020-02957-2

Thomas Wittenberg, Wolfgang Becker, Thomas Bocklitz, Lukas Braun, Ralf Hackner, Niels Lemke, Arkadiusz Miernik, Philippe-Fabian Pohlmann, Rodrigo Suarez-Ibarrola, Christoph Krafft: First results of computer-enhanced optical diagnosis of bladder cancer. In: Current Directions in Biomedical Engineering, 6 (2020). - S. 246-249.
doi:10.1515/cdbme-2020-3062

Maria Sittig, Benny Schmidt, Helmar Görls, Thomas Bocklitz, Maria Wächtler, Stefan Zechel, Martin D. Hager, Benjamin Dietzek: Fluorescence upconversion by triplet–triplet annihilation in all-organic poly(methacrylate)-terpolymers. In: Physical Chemistry Chemical Physics, 22 (2020). - S. 4072-4079.
doi:10.1039/D0CP00232A

Georgette Azemtsop Matanfack, Martin Taubert, Shuxia Guo, Rola Houhou, Thomas Bocklitz, Kirsten Küsel, Petra Rösch, Jürgen Popp: Influence of Carbon Sources on Quantification of Deuterium Incorporation in Heterotrophic Bacteria : A Raman-Stable Isotope Labeling Approach. In: Analytical Chemistry, 92 (2020). - S. 11429-11437.
doi:10.1021/acs.analchem.0c02443

Julien Bec, Tanveer Ahmed Shaik, Christoph Krafft, Thomas Bocklitz, Alba Alfonso-Garcia, Kenneth B. Margulies, Jürgen Popp, Laura Marcu: Investigating Origins of FLIm Contrast in Atherosclerotic Lesions Using Combined FLIm-Raman Spectroscopy. In: Frontiers in Cardiovascular Medicine, 7 (2020). - .
doi:10.3389/fcvm.2020.00122

Shuxia Guo, Petra Rösch, Jürgen Popp, Thomas Bocklitz: Modified PCA and PLS : Towards a Better Classification in Raman Spectroscopy-based Biological Applications. In: Journal of Chemometrics, 34 (2020). - .
doi:10.1002/cem.3202

Christoph Steinbeck, Oliver Koepler, Felix Bach, Sonja Herres-Pawlis, Nicole Jung, Johannes C. Liermann, Steffen Neumann, Matthias Razum, Carsten Baldauf, Frank Biedermann, Thomas Bocklitz, Franziska Boehm, Frank Broda, Paul Czodrowski, Thomas Engel, Martin G. Hicks, Stefan M. Kast, Carsten Kettner, Wolfram Koch, Giacomo Lanza, Andreas Link, Ricardo A. Mata, Wolfgang E. Nagel, Andrea Porzel, Nils Schlörer, Tobias Schulze, Hans-Georg Weinig, Wolfgang Wenzel, Ludger A. Wessjohann, Stefan Wulle: NFDI4Chem : Towards a National Research Data Infrastructure for Chemistry in Germany. In: Research Ideas and Outcomes, 6 (2020). - .
doi:10.3897/rio.6.e55852

Thomas Bocklitz, Anja Silge, Hyeonsoo Bae, Marko Rodewald, Fisseha Bekele Legesse, Tobias Meyer, Jürgen Popp: Non-invasive Imaging Techniques : From Histology to In Vivo Imaging. In: Otmar Schober, Fabian Kiessling, Jürgen Debus (Hrsg.): Molecular Imaging in Oncology. - Cham : Springer, 2020. - S. 795-812.
doi:10.1007/978-3-030-42618-7_25

Julian Hniopek, Michael Schmitt, Jügen Popp, Thomas Bocklitz: PC 2D-COS : A Principal Component Base Approach to Two-Dimensional Correlation Spectroscopy. In: Applied Spectroscopy, 74 (2020). - S. 460-472.
doi:10.1177/0003702819891194

Nairveen Ali, Johanna Kirchhoff, Patrick Igoche Onoja, Astrid Tannert, Ute Neugebauer, Jürgen Popp, Thomas Bocklitz: Predictive Modeling of Antibiotic Susceptibility in E. Coli Strains Using the U-Net Network and One-Class Classification. In: IEEE Access, 8 (2020). - S. 167711-167720.
doi:10.1109/ACCESS.2020.3022829

Christoph Krafft, Shuxia Guo, Thomas Bocklitz, Peter Bronsert, Arkadiusz Miernik, Jürgen Popp: Raman Spectroscopy to Characterize Bladder Tissue for Multidimensional Diagnostics of Cancer in Urology. In: Current Directions in Biomedical Engineering, 6 (2020). - S. 250-253.
doi:10.1515/cdbme-2020-3063

Susanne Pahlow, Thomas Orasch, Olga Žukovskaja, Thomas Bocklitz, Hubertus Haas, Karina Weber: Rapid detection of the aspergillosis biomarker triacetylfusarinine C using interference-enhanced Raman spectroscopy. In: Analytical and Bioanalytical Chemistry, 412 (2020). - S. 6351-6360.
doi:10.1007/s00216-020-02571-2

Xiao-Yang Liu, Shuxia Guo, Anuradha Ramoji, Thomas Bocklitz, Petra Rösch, Jürgen Popp, Han-Qing Yu: Spatiotemporal Organization of Biofilm Matrix Revealed by Confocal Raman Mapping Integrated with Non-negative Matrix Factorization Analysis. In: Analytical Chemistry, 92 (2020). - S. 707-715.
doi:10.1021/acs.analchem.9b02593

Tatiana Kirchberger-Tolstik, Pranita Pradhan, Michael Vieth, Philip Grunert, Jürgen Popp, Thomas Bocklitz, Andreas Stallmach: Towards an interpretable classifier for characterization of endoscopic Mayo scores in ulcerative colitis using Raman Spectroscopy. In: Analytical Chemistry, 92 (2020). - S. 13776-13784.
doi:10.1021/acs.analchem.0c02163

Olga Žukovskaja, Oleg Ryabchykov, Maria Straßburger, Thorsten Heinekamp, Axel A. Brakhage, Christopher J. Hennings, Christian A. Hübner, Michael Wegmann, Dana Cialla-May, Thomas Bocklitz, Karina Weber, Jürgen Popp: Towards Raman spectroscopy of urine as screening tool. In: Journal of Biophotonics, 13 (2020). - .
doi:10.1002/jbio.201900143

Jing Huang, Anuradha Ramoji, Shuxia Guo, Thomas Bocklitz, Valérie Boivin-Jahns, Jan Möller, Michael Kiehntopf, Michel Noutsias, Jürgen Popp, Ute Neugebauer: Vibrational spectroscopy as a powerful tool for follow-up immunoadsorption therapy treatment of dilated cardiomyopathy : a case report. In: Analyst, 145 (2020). - S. 486-496.
doi:10.1039/C9AN01696A

2019

Nairveen Ali, Elsie Quansah, Katarina Köhler, Tobias Meyer, Michael Schmitt, Jürgen Popp, Axel Niendorf, Thomas Bocklitz: Automatic Label-free Detection of Breast Cancer Using Nonlinear Multimodal Imaging and the Convolutional Neural Network ResNet50. In: Translational Biophotonics, 1 (2019). - .
doi:10.1002/tbio.201900003

Thomas Bocklitz: Brereton, Richard G.: Chemometrics : data driven extraction for science. 2nd ed.. In:Analytical and Bioanalytical Chemistry, 411, S. 2995-2996: 2019
doi:10.1007/s00216-019-01786-2

J. Schleusener, V. Carrer, A. Patzelt, S. Guo, Thomas Bocklitz, L. Coderch, J. Lademann, M. E. Darvin: Confocal Raman imaging of skin sections containing hair follicles using classical least squares regression and multivariate curve resolution : alternating least squares. In: Quantum Electronics, 49 (2019). - S. 6-12.
doi:10.1070/QEL16901

Robert Geitner, Robby Fritzsch, Jürgen Popp, Thomas Bocklitz: corr2D : Implementation of Two-Dimensional Correlation Analysis in R. In: Journal of Statistical Software, 90 (2019). - S. 1-33.
doi:10.18637/jss.v090.i03

Erik Rodner, Thomas Bocklitz, Ferdinand von Eggeling, Günther Ernst, Olga Chernavskaia, Jürgen Popp, Joachim Denzler, Orlando Guntinas-Lichius: Fully convolutional networks in multimodal nonlinear microscopy images for automated detection of head and neck carcinoma : pilot study. In: Head & Neck, 41 (2019). - S. 116-121.
doi:10.1002/hed.25489

Amira A. Moawad, Anja Silge, Thomas Bocklitz, Katja Fischer, Petra Rösch, Uwe Roesler, Mandy C. Elschner, Jürgen Popp, Heinrich Neubauer: A Machine Learning-Based Raman Spectroscopic Assay for the Identification of Burkholderia mallei and Related Species. In: Molecules, 24 (2019). - .
doi:10.3390/molecules24244516

Melina Yarbakht, Pranita Pradhan, Nilay Köse-Vogel, Hyeonsoo Bae, Sven Stengel, Tobias Meyer, Michael Schmitt, Andreas Stallmach, Jürgen Popp, Thomas Bocklitz, Tony Bruns: Nonlinear Multimodal Imaging Characteristics of Early Septic Liver Injury in a Mouse Model of Peritonitis. In: Analytical Chemistry, 91 (2019). - S. 11116-11121.
doi:10.1021/acs.analchem.9b01746

Anuradha Ramoji, Oleg Ryabchykov, Kerstin Galler, Astrid Tannert, Robby Markwart, Robert P. Requardt, Ignacio Rubio, Michael Bauer, Thomas Bocklitz, Jürgen Popp, Ute Neugebauer: Raman Spectroscopy Follows Time-Dependent Changes in T Lymphocytes Isolated from Spleen of Endotoxemic Mice. In: ImmunoHorizons, 3 (2019). - S. 45-60.
doi:10.4049/immunohorizons.1800059

Pranita Pradhan, Tobias Meyer, Michael Vieth, Andreas Stallmach, Maximilian Waldner, Michael Schmitt, Jürgen Popp, Thomas Bocklitz: Semantic segmentation of Non-Linear Multimodal images for disease grading of Inflammatory Bowel Disease : A SegNet-based application. In: Proceedings of the 8th International Conference on Pattern Recognition Applications and Methods. Volume 1. - Setúbal : SciTePress, 2019. - S. 396-405.
doi:10.5220/0007314003960405

Christina Wichmann, Mehul Chhallani, Thomas Bocklitz, Petra Rösch, Jürgen Popp: Simulation of Transportation and Storage and Their Influence on Raman Spectra of Bacteria. In: Analytical Chemistry, 91 (2019). - S. 13688-13694.
doi:10.1021/acs.analchem.9b02932

Thomas Bocklitz: Understanding of Non-linear Parametric Regression and Classification Models : a Taylor Series Based Approach. In: Proceedings of the 8th International Conference on Pattern Recognition Applications and Methods. Volume 1. - Setúbal : SciTePress, 2019. - S. 874-880.
doi:10.5220/0007682008740880

2018

Anja Silge, Ralf Heinke, Thomas Bocklitz, Cornelia Wiegand, Uta-Christina Hipler, Petra Rösch, Jürgen Popp: The application of UV Resonance Raman spectroscopy for the differentiation of clinically relevant Candida species. In: Analytical and Bioanalytical Chemistry, 410 (2018). - S. 5839-5847.
doi:10.1007/s00216-018-1196-2

Thomas Bocklitz, T. Meyer, M. Schmitt, I. Rimke, F. Hoffmann, F. von Eggeling, G. Ernst, O. Guntinas-Lichius, J. Popp: Comparison of hyperspectral coherent Raman scattering microscopies for biomedical applications. In: APL Photonics, 3 (2018). - .
doi:10.1063/1.5030159

Robert Geitner, Fisseha-Bekele Legesse, Natascha Kuhl, Thomas Bocklitz, Stefan Zechel, Jürgen Vitz, Martin Hager, Ulrich S. Schubert, Benjamin Dietzek, Michael Schmitt, Jürgen Popp: Do you get what you see? Understanding molecular self-healing. In: Chemistry : a European Journal, 24 (2018). - S. 2493-2502.
doi:10.1002/chem.201705836

Shuxia Guo, Achim Kohler, Boris Zimmermann, Ralf Heinke, Stephan Stöckel, Petra Rösch, Jürgen Popp, Thomas Bocklitz: Extended Multiplicative Signal Correction Based Model Transfer for Raman Spectroscopy in Biological Applications. In: Analytical Chemistry, 90 (2018). - S. 9787-9795.
doi:10.1021/acs.analchem.8b01536

Oleg Ryabchykov, Jürgen Popp, Thomas Bocklitz: Fusion of MALDI Spectrometric Imaging and Raman Spectroscopic Data for the Analysis of Biological Samples. In: Frontiers in Chemistry, 6 (2018). - .
doi:10.3389/fchem.2018.00257

Shuxia Guo, Ralf Heinke, Stephan Stöckel, Petra Rösch, Jürgen Popp, Thomas Bocklitz: Model transfer for Raman-spectroscopy-based bacterial classification. In: Journal of Raman Spectroscopy, 49 (2018). - S. 627-637.
doi:10.1002/jrs.5343

Shuxia Guo, Susanne Pfeifenbring, Tobias Meyer, Günther Ernst, Ferdinand von Eggeling, Vincenza Maio, Daniela Massi, Riccardo Cicchi, Francesco S. Pavone, Jürgen Popp, Thomas Bocklitz: Multimodal Image Analysis in Tissue Diagnostics for Skin Melanoma. In: Journal of Chemometrics, 32 (2018). - .
doi:10.1002/cem.2963

Oleg Ryabchykov, Katharina Bräutigam, Kerstin Galler, Ute Neugebauer, Alexander Mosig, Thomas Bocklitz, Jürgen Popp: Raman spectroscopic investigation of the human liver cell line HepaRG. In: Journal of Raman Spectroscopy, 49 (2018). - S. 935-942.
doi:10.1002/jrs.5392

Anja Silge, Thomas Bocklitz, Bjoern Becker, Walter Matheis, Jürgen Popp, Isabelle Bekeredjian-Ding: Raman spectroscopy-based identification of toxoid vaccine products. In: npj Vaccines, 3 (2018). - .
doi:10.1038/s41541-018-0088-y

Nairveen Ali, Sophie Girnus, Petra Rösch, Jürgen Popp, Thomas Bocklitz: Sample-size planning for multivariate data : a Raman-spectroscopy-based example. In: Analytical Chemistry, 90 (2018). - S. 12485-12492.
doi:10.1021/acs.analchem.8b02167

Shuxia Guo, Olga Chernavskaia, Jürgen Popp, Thomas Bocklitz: Spectral reconstruction for shifted-excitation Raman difference spectroscopy (SERDS). In: Talanta, 186 (2018). - S. 372-380.
doi:10.1016/j.talanta.2018.04.050

Vera Dugandžić, Denis Drikermann, Oleg Ryabchykov, Andreas Undisz, Ivan Vilotijević, Stefan Lorkowski, Thomas Bocklitz, Christian Matthäus, Karina Weber, Dana Cialla-May, Jürgen Popp: Surface enhanced Raman spectroscopy-detection of the uptake of mannose-modified nanoparticles by macrophages in vitro : A model for detection of vulnerable atherosclerotic plaques. In: Journal of Biophotonics, 11 (2018). - .
doi:10.1002/jbio.201800013

Olga Žukovskaja, Sandra Kloß, Matthew G. Blango, Oleg Ryabchykov, Olaf Kniemeyer, Axel A. Brakhage, Thomas Bocklitz, Dana Cialla-May, Karina Weber, Jürgen Popp: UV-Raman spectroscopic identification of fungal spores important for respiratory diseases. In: Analytical Chemistry, 90 (2018). - S. 8912-8918.
doi:10.1021/acs.analchem.8b01038

2017

Shuxia Guo, Thomas Bocklitz, Ute Neugebauer, Jürgen Popp: Common Mistakes in Cross-Validating Classification Models. In: Analytical Methods, 9 (2017). - S. 4410-4417.
doi:10.1039/C7AY01363A

Olga Chernavskaia, Shuxia Guo, Tobias Meyer, Nadine Vogler, Denis Akimov, Sandro Heuke, Rainer Heintzmann, Thomas Bocklitz, Jürgen Popp: Correction of mosaicking artefacts in multimodal images caused by uneven illumination. In: Journal of Chemometrics, 31 (2017). - .
doi:10.1002/cem.2901

Olga Chernavskaia, Shuxia Guo, Tobias Meyer, Nadine Vogler, Denis Akimov, Sandro Heuke, Rainer Heintzmann, Thomas Bocklitz, Jürgen Popp: Correction of mosaicking artefacts in multimodal images caused by uneven illumination. In: Journal of Chemometrics, 31 (2017). - .
doi:10.1002/cem.2908

Christoph Krafft, Michael Schmitt, Iwan W. Schie, Dana Cialla-May, Christian Matthäus, Thomas Bocklitz, Jürgen Popp: Label-Free Molecular Imaging of Biological Cells and Tissues by Linear and Nonlinear Raman Spectroscopic Approaches. In: Angewandte Chemie International Edition, 56 (2017). - S. 4392-4430.
doi:10.1002/anie.201607604

Christoph Pohling, Thomas Bocklitz, Alex S. Duarte, Cinzia Emmanuello, Mariana S. Ishikawa, Benjamin Dietzeck, Tiago Buckup, Ortrud Uckermann, Gabriele Schackert, Matthias Kirsch, Michael Schmitt, Jürgen Popp, Marcus Motzkus: Multiplex coherent anti-Stokes Raman scattering microspectroscopy of brain tissue with higher ranking data classification for biomedical imaging. In: Journal of Biomedical Optics, 22 (2017). - .
doi:10.1117/1.JBO.22.6.066005

Thomas Bocklitz, Michael Schmitt, Aleksandar Lukić, Sandro Heuke, Olga Chernavskaia, Tobias Meyer, Jürgen Popp: Non-linear multimodal imaging for disease diagnostics and treatment monitoring. In: International Conference on Biophotonics V. - Bellingham, Wash. : SPIE, 2017.
doi:10.1117/12.2275361

Bernd Kampe, Sandra Kloß, Thomas Bocklitz, Petra Rösch, Jürgen Popp: Recursive feature elimination in Raman spectra with support vector machines. In: Frontiers of Optoelectronics, 10 (2017). - S. 273-279.
doi:10.1007/s12200-017-0726-4

I. J. Jahn, O. Žukovskaja, X.-S. Zheng, K. Weber, Thomas Bocklitz, D. Cialla-May, J. Popp: Surface-enhanced Raman spectroscopy and microfluidic platforms : challenges, solutions and potential applications. In: Analyst, 142 (2017). - S. 1022-1047.
doi:10.1039/C7AN00118E

Shuxia Guo, Ralf Heinke, Stephan Stöckel, Petra Rösch, Thomas Bocklitz, Jürgen Popp: Towards an Improvement of Model Transferability for Raman Spectroscopy in Biological Applications. In: Vibrational Spectroscopy, 91 (2017). - S. 111-118.
doi:10.1016/j.vibspec.2016.06.010

2016

Olga Chernavskaia, Thomas Bocklitz, Jürgen Popp: Verfahren zur Rekonstruktion eines Raman-Spektrums
EP3465164B1, (2016-06-03)

Izabella J. Hidi, Martin Jahn, Karina Weber, Thomas Bocklitz, Mathias W. Pletz, Dana Cialla-May, Jürgen Popp: Lab-on-a-Chip-Surface Enhanced Raman Scattering Combined with the Standard Addition Method : Toward the Quantification of Nitroxoline in Spiked Human Urine Samples. In: Analytical Chemistry, 88 (2016). - S. 9173-9180.
doi:10.1021/acs.analchem.6b02316

Oleg Ryabchykov, Anuradha Ramoji, Thomas Bocklitz, Martin Förster, Stefan Hagel, Claus Kroegel, Michael Bauer, Ute Neugebauer, Jürgen Popp: Leukocyte subtypes classification by means of image processing. In: Proceedings of the 2016 Federated Conference on Computer Science and Information Systems. - Piscataway, NJ : IEEE, 2016. - S. 309-316.

Anna Mühlig, Thomas Bocklitz, Ines Labugger, Stefan Dees, Sandra Henk, Elvira Richter, Sönke Andres, Matthias Merker, Stephan Stöckel, Karina Weber, Dana Cialla-May, Jürgen Popp: LOC-SERS : A Promising Closed System for the Identification of Mycobacteria. In: Analytical Chemistry, 88 (2016). - S. 7998-8004.
doi:10.1021/acs.analchem.6b01152

Robert Geitner, Julia Kötteritzsch, Michael Siegmann, Robby Fritzsch, Thomas Bocklitz, Martin D. Hager, Ulrich Sigmar Schubert, Stefanie Gräfe, Benjamin Dietzek, Michael Schmitt, Jürgen Popp: Molecular self-healing mechanisms between C₆₀-fullerene and anthracene unveiled by Raman and two-dimensional correlation spectroscopy. In: Physical Chemistry Chemical Physics, 18 (2016). - S. 17973-17982.
doi:10.1039/C6CP03464K

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, Jürgen Popp: Multimodal nonlinear microscopy of head and neck carcinoma : toward surgery assisting frozen section analysis. In: Head & Neck, 38 (2016). - S. 1545-1552.
doi:10.1002/hed.24477

Shuxia Guo, Thomas Bocklitz, Jürgen Popp: Optimization of Raman-Spectrum Baseline Correction in Biological Application. In: Analyst, 141 (2016). - S. 2396-2404.
doi:10.1039/C6AN00041J

Thomas Bocklitz, Firas Subhi Salah, Nadine Vogler, Sandro Heuke, Olga Chernavskaia, Carsten Schmidt, Maximilian J. Waldner, Florian R. Greten, Rolf Bräuer, Michael Schmitt, Andreas Stallmach, Iver Petersen, Jürgen Popp: Pseudo-HE images derived from CARS/TPEF/SHG multimodal imaging in combination with Raman-spectroscopy as a pathological screening tool. In: BMC Cancer, 16 (2016). - .
doi:10.1186/s12885-016-2520-x

Thomas Bocklitz, Shuxia Guo, Oleg Ryabchykov, Nadine Vogler, Jürgen Popp: Raman based molecular imaging and analytics : a magic bullet for biomedical applications!?. In: Analytical Chemistry, 88 (2016). - S. 133-151.
doi:10.1021/acs.analchem.5b04665

Kerstin Galler, Robert Pascal Requardt, Uwe Glaser, Robby Markwart, Thomas Bocklitz, Michael Bauer, Jürgen Popp, Ute Neugebauer: Single cell analysis in native tissue : Quantification of the retinoid content of hepatic stellate cells. In: Scientific Reports, 6 (2016). - .
doi:10.1038/srep24155

Evelyn Kämmer, Isabell Götz, Thomas Bocklitz, Stephan Stöckel, Andrea Dellith, Dana Cialla-May, Karina Weber, Roland Zell, Jan Dellith, Volker Deckert, Jürgen Popp: Single particle analysis of herpes simplex virus : Comparing the dimensions of one and the same virions via atomic force and scanning electron microscopy. In: Analytical and Bioanalytical Chemistry, 408 (2016). - S. 4035-4041.
doi:10.1007/s00216-016-9492-1

Federico Latorre, Stephan Kupfer, Thomas Bocklitz, Daniel Kinzel, Steffen Trautmann, Stefanie Gräfe, Volker Deckert: Spatial resolution of tip-enhanced Raman spectroscopy : DFT assessment of the chemical effect. In: Nanoscale, 8 (2016). - S. 10229-10239.
doi:10.1039/C6NR00093B

Nadine Vogler, Thomas Bocklitz, Firas Subhi Salah, Carsten Schmidt, Rolf Bräuer, Tiantian Cui, Masoud Mireskandari, Florian R. Greten, Michael Schmitt, Andreas Stallmach, Iver Petersen, Jürgen Popp: Systematic evaluation of the biological variance within the Raman based colorectal tissue diagnostics. In: Journal of Biophotonics, 9 (2016). - S. 533-541.
doi:10.1002/jbio.201500237

Andreea Ioana Radu, Oleg Ryabchykov, Thomas Bocklitz, Uwe Huebner, Karina Weber, Dana Cialla-May, Jürgen Popp: Towards food analytics : fast estimation of lycopene and β-carotene content in tomatoes based on surface enhanced Raman spectroscopy (SERS). In: Analyst, 141 (2016). - S. 4447-4455.
doi:10.1039/C6AN00390G

Oleg Ryabchykov, Thomas Bocklitz, Anuradha Ramoji, Ute Neugebauer, Martin Foerster, Claus Kroegel, Michael Bauer, Michael Kiehntopf, Jürgen Popp: Automatization of spike correction in Raman spectra of biological samples. In: Chemometrics and Intelligent Laboratory Systems, 155 (2016). - S. 1-6.
doi:10.1016/j.chemolab.2016.03.024

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, Jürgen Popp: Beyond endoscopic assessment in inflammatory bowel disease : real-time histology of disease activity by non-linear multimodal imaging. In: Scientific Reports, 6 (2016). - .
doi:10.1038/srep29239

Sebastian Dochow, Hussain Fatakdawala, Jennifer E. Phipps, Dinglong Ma, Thomas Bocklitz, Michael Schmitt, John W. Bishop, Kenneth B. Margulies, Laura Marcu, Jürgen Popp: Comparing Raman and Fluorescence lifetime spectroscopy from human atherosclerotic lesions using a bimodal probe. In: Journal of Biophotonics, 9 (2016). - S. 958-966.
doi:10.1002/jbio.201500341

Robby Fritzsch, Robert Geitner, Thomas Bocklitz, Benjamin Dietzek, Michael Schmitt, Jürgen Popp: Dehydration of 3-octanol studied by 2D Raman, IR and NMR hetero correlation spectroscopy. In: Asian Journal of Physics, 25 (2016). - S. 157-165.

Vinay Kumar B. N., Shuxia Guo, Thomas Bocklitz, Petra Rösch, Jürgen Popp: Demonstration of carbon catabolite repression in naphthalene degrading soil bacteria via Raman spectroscopy based stable isotope probing. In: Analytical Chemistry, 88 (2016). - S. 7574-7582.
doi:10.1021/acs.analchem.6b01046

Robert Koprowski, Thomas Bocklitz: Image Processing in Biomedical Diagnosis. In: Journal of Biophotonics, 9 (2016). - S. 434-435.
doi:10.1002/jbio.201670053

Anja Silge, Thomas Bocklitz, Rainer Ossig, Jürgen Schnekenburger, Petra Rösch, Jürgen Popp: The interaction of an amino-modified ZrO₂ nanomaterial with macrophages : An in situ investigation by Raman microspectroscopy. In: Analytical and Bioanalytical Chemistry, 408 (2016). - S. 5935-5943.
doi:10.1007/s00216-016-9710-x

2015

Jürgen Popp, Thomas Bocklitz, Olga Chernavskaia, Tobias Meyer: Eigenschaftsmessung auf einer biologischen Gewebeprobe
EP3182366B1, (2015-12-17)

Kokila D. Egodage, Sebastian Dochow, Thomas Bocklitz, Olga Chernavskaia, Christian Matthaeus, Michael Schmitt, Jürgen Popp: The combination of optical coherence tomography and Raman spectroscopy for tissue characterization. In: Journal of Biomedical Photonics & Engineering, 1 (2015). - S. 169-177.
doi:10.18287/jbpe-2015-1-2-169

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, Jürgen Popp: Combined fiber probe for fluorescence lifetime and Raman spectroscopy. In: Analytical and Bioanalytical Chemistry, 407 (2015). - S. 8291-8301.
doi:10.1007/s00216-015-8800-5

Thomas Bocklitz: Combining Raman Imaging, Mass Spectrometry Imaging, and AFM. In: Spectroscopy, 30 (2015). - S. 9-22.

Ying Zhang, Stephan Kupfer, Linda Zedler, Thomas Bocklitz, Julien Guthmuller, Sven Rau, Benjamin Dietzek: In Situ Spectroelectrochemical and Theoretical Study on the Oxidation of a 4H-Imidazole-Ruthenium Dye Adsorbed on Nanocrystalline TiO₂ Thin Film Electrodes. In: Physical Chemistry Chemical Physics, 17 (2015). - S. 29637-29646.
doi:10.1039/C5CP04484G

Konstanze Olschewski, Evelyn Kämmer, Stephan Stöckel, Thomas Bocklitz, Tanja Deckert-Gaudig, Roland Zell, Dana Cialla-May, Karina Weber, Volker Deckert, Jürgen Popp: A Manual and an automatic TERS based virus discrimination. In: Nanoscale, 7 (2015). - S. 4545-4552.
doi:10.1039/C4NR07033J

Nadine Vogler, Sandro Heuke, Thomas Bocklitz, Michael Schmitt, Jürgen Popp: Multimodal Imaging Spectroscopy of Tissue. In: Annual Review of Analytical Chemistry, 8 (2015). - S. 359-387.
doi:10.1146/ANNUREV-ANCHEM-071114-040352

Thomas Bocklitz, Katharina Bräutigam, Annett Urbanek, Franziska Hoffmann, Ferdinand von Eggeling, Günther Ernst, Michael Schmitt, Ulrich Schubert, Orlando Guntinas-Lichius, Jürgen Popp: Novel workflow for combining Raman-spectroscopy and MALDI-MSI for tissue based studies. In: Analytical and Bioanalytical Chemistry, 407 (2015). - S. 7865-7873.
doi:10.1007/s00216-015-8987-5

Evelyn Kämmer, Konstanze Olschewski, Stephan Stöckel, Petra Rösch, Karina Weber, Dana Cialla-May, Thomas Bocklitz, Jürgen Popp: Quantitative SERS studies by combining LOC-SERS with the standard addition method. In: Analytical and Bioanalytical Chemistry, 407 (2015). - S. 8925-8929.
doi:10.1007/s00216-015-9045-z

Fisseha Bekele Legesse, Olga Chernavskaia, Sandro Heuke, Thomas Bocklitz, Tobias Meyer, Jürgen Popp, Rainer Heintzmann: Seamless Stitching of Tile Scan Microscope Images. In: Journal of Microscopy, 258 (2015). - S. 223-232.
doi:10.1111/jmi.12236

Anja Silge, Elias Abdou, Kilian Schneider, Susann Meisel, Thomas Bocklitz, Hui-Wen Lu-Walther, Rainer Heintzmann, Petra Rösch, Jürgen Popp: Shedding light on host niches : Label-free in situ detection of Mycobacterium gordonae via carotenoids in macrophages by Raman microspectroscopy. In: Cellular Microbiology, 17 (2015). - S. 832-842.
doi:10.1111/cmi.12404

Thomas Bocklitz, T. Dörfer, R. Heinke, M. Schmitt, J. Popp: Spectrometer calibration protocol for Raman spectra recorded with different excitation wavelengths. In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 149 (2015). - S. 544-549.
doi:10.1016/j.saa.2015.04.079

Martin Jahn, Sophie Patze, Thomas Bocklitz, Karina Weber, Dana Cialla-May, Jürgen Popp: Towards SERS based applications in food analytics : Lipophilic sensor layers for the detection of Sudan III in food matrices. In: Analytica Chimica Acta, 860 (2015). - S. 43-50.
doi:10.1016/j.aca.2015.01.005

David Berry, Esther Mader, Tae Kwon Lee, Dagmar Woebken, Yun Wang, Di Zhu, Marton Palatinszky, Arno Schintlmeister, Markus C. Schmid, Buck T. Hanson, Naama Shterzer, Itzhak Mizrahi, Isabella Rauch, Thomas Decker, Thomas Bocklitz, Jürgen Popp, Christopher M. Gibson, Patrick W. Fowler, Wei E. Huang, Michael Wagner: Tracking heavy water (D₂O) incorporation for identifying and sorting active microbial cells. In: Proceedings of the National Academy of Sciences of the United States of America, 112 (2015). - .
doi:10.1073/pnas.1420406112

R. Geitner, J. Kötteritzsch, M. Siegmann, Thomas Bocklitz, M. D. Hager, U. S. Schubert, S. Gräfe, B. Dietzek, M. Schmitt, J. Popp: Two-dimensional Raman correlation spectroscopy reveals molecular structural changes during temperature-induced self-healing in polymers based on the Diels-Alder reaction. In: Physical Chemistry Chemical Physics, 17 (2015). - S. 22587-22595.
doi:10.1039/C5CP02151K

Anja Silge, Katharina Bräutigam, Thomas Bocklitz, Petra Rösch, Antje Vennemann, Inge Schmitz, Jürgen Popp, Martin Wiemann: ZrO₂ nanoparticles labeled via a native protein corona : detection by fluorescence microscopy and Raman microspectroscopy in rat lungs. In: Analyst, 140 (2015). - S. 5120-5128.
doi:10.1039/C5AN00942A

2014

Katharina Bräutigam, Thomas Bocklitz, Anja Silge, Christian Dierker, Rainer Ossig, Jürgen Schnekenburger, Dana Cialla, Petra Rösch, Jürgen Popp: Comparative two- and three-dimensional analysis of nanoparticle localization in different cell types by Raman spectroscopic imaging. In: Journal of Molecular Structure, 1073 (2014). - S. 44-50.
doi:10.1016/j.molstruc.2014.05.013

C. Schmidt, N. Vogler, Thomas Bocklitz, M. Schmitt, F. S. Salah, R. Bräuer, I. Petersen, J. Popp, A. Stallmach: Differenzierung von Adenomen und Karzinomen von normalen epithelialen Zellen des Kolons in einem karzinogen-induzierten kolorektalen Tumormodell bei p53-defizienten Mäusen mittels RAMAN-Spektroskopie. In: Zeitschrift für Gastroenterologie, 52 (2014). - .
doi:10.1055/s-0034-1386173

Ute Neugebauer, Sabine Trenkmann, Thomas Bocklitz, Diana Schmerler, Michael Kiehntopf, Jürgen Popp: Fast differentiation of SIRS and sepsis from blood plasma of ICU patients using Raman spectroscopy. In: Journal of Biophotonics, 7 (2014). - S. 232-240.
doi:10.1002/jbio.201400010

Thomas Bocklitz, Michael Schmitt, Jürgen Popp: Image Processing : Chemometric Approaches to Analyze Optical Molecular Images. In: Jürgen Popp (Hrsg.): Ex-vivo and In-vivo Optical Molecular Pathology. - Weinheim : Wiley-VCH, 2014. - S. 215-248.
doi:10.1002/9783527681921.ch7

Carsten Schmidt, Nadine Vogler, Thomas Bocklitz, Michael Schmitt, Rolf Bräuer, Iver Petersen, Jügen Popp, Andreas Stallmach: Mo1508 Differentiation of Colonic Adenomas and Carcinomas From Normal Epithelial Cells in a p53-Ko-Carcinogen-Induced Colorectal Tumor Mouse Model by Means of Raman Spectroscopic Imaging. In: Gastrointestinal Endoscopy, 79 (2014). - .
doi:10.1016/j.gie.2014.02.685

Evelyn Kämmer, Konstanze Olschewski, Thomas Bocklitz, Petra Rösch, Karina Weber, Dana Cialla, Jürgen Popp: A new calibration concept for a reproducible quantitative detection based on SERS measurements in a microfluidic device demonstrated on the model analyte adenine. In: Physical Chemistry Chemical Physics, 16 (2014). - S. 9056-9063.
doi:10.1039/c3cp55312d

Ute Neugebauer, Christian Kurz, Thomas Bocklitz, Tina Berger, Thomas Velten, Joachim H. Clement, Christoph Krafft, Jürgen Popp: Raman-Spectroscopy Based Cell Identification on a Microhole Array Chip. In: Micromachines, 5 (2014). - S. 204-215.
doi:10.3390/mi5020204

Thomas Bocklitz, Evelyn Kämmer, Stephan Stöckel, Dana Cialla-May, Karina Weber, Roland Zell, Volker Deckert, Jürgen Popp: Single virus detection by means of atomic force microscopy in combination with advanced image analysis. In: Journal of Structural Biology, 188 (2014). - S. 30-38.
doi:10.1016/j.jsb.2014.08.008

2013

Martha Schwarz, Susanne Pahlow, Thomas Bocklitz, Carolin Steinbrücker, Dana Cialla, Karina Weber, Jürgen Popp: Convenient detection of E. coli in Ringer's solution. In: Analyst, 138 (2013). - S. 5866-5870.
doi:10.1039/C3AN01240A

Thomas Bocklitz, Anna C. Crecelius, Christian Matthäus, Nicolae Tarcea, Ferdinand von Eggeling, Michael Schmitt, Ulrich S. Schubert, Jürgen Popp: Deeper understanding of biological tissue : Quantitative correlation of MALDI-TOF and Raman imaging. In: Analytical Chemistry, 85 (2013). - S. 10829-10834.
doi:10.1021/ac402175c

Katharina Bräutigam, Thomas Bocklitz, Michael Schmitt, Petra Rösch, Jürgen Popp: Raman spectroscopic imaging for the real-time detection of chemical changes associated with docetaxel exposure. In: ChemPhysChem, 14 (2013). - S. 550-553.
doi:10.1002/cphc.201200800

Claudia Beleites, Ute Neugebauer, Thomas Bocklitz, Christoph Krafft, Jürgen Popp: Sample Size Planning for Classification Models. In: Analytica Chimica Acta, 760 (2013). - S. 25-33.
doi:10.1016/j.aca.2012.11.007

Melanie Becker-Putsche, Thomas Bocklitz, Joachim H. Clement, Petra Rösch, Jürgen Popp: Toward improving fine needle aspiration cytology by applying Raman microspectroscopy. In: Journal of Biomedical Optics, 18 (2013). - .
doi:10.1117/1.JBO.18.4.047001

2012

Christiane Bielecki, Claudio Marquardt, Andreas Stallmach, Thomas Bocklitz, Michael Schmitt, Jürgen Popp, Christoph Krafft, Akram Gharbi, Thomas Knösel: Classification of inflammatory bowel diseases by means of Raman spectroscopic imaging of epithelium cells. In: Journal of Biomedical Optics, 17 (2012). - .
doi:10.1117/1.JBO.17.7.076030

Norbert Bergner, Thomas Bocklitz, Bernd F. M. Romeike, Rupert Reichart, Rolf Kalff, Christoph Krafft, Jürgen Popp: Identification of primary tumors of brain metastases by Raman imaging and support vector machines. In: Chemometrics and Intelligent Laboratory Systems, 117 (2012). - S. 224-232.
doi:10.1016/j.chemolab.2012.02.008

Angela Walter, Susanne Kuhri, Martin Reinicke, Thomas Bocklitz, Wilm Schumacher, Petra Rösch, Dirk Merten, Georg Büchel, Erika Kothe, Jürgen Popp: Raman spectroscopic detection of Nickel impact on single Streptomyces cells : possible bioindicators for heavy metal contamination. In: Journal of Raman Spectroscopy, 43 (2012). - S. 1058-1064.
doi:10.1002/jrs.3126

Katharina Hartmann, Melanie Putsche-Becker, Thomas Bocklitz, Katharina Pachmann, Axel Niendorf, Petra Rösch, Jürgen Popp: A study of Docetaxel-induced effects in MCF-7 cells by means of Raman microspectroscopy. In: Analytical and Bioanalytical Chemistry, 403 (2012). - S. 745-753.
doi:10.1007/s00216-012-5887-9

Anuradha Ramoji, Ute Neugebauer, Thomas Bocklitz, Martin Förster, Michael Kiehntopf, Michael Bauer, Jürgen Popp: Toward a Spectroscopic Hemogram : Raman Spectroscopic Differentiation of the Two Most Abundant Leukocytes from Peripheral Blood. In: Analytical Chemistry, 84 (2012). - S. 5335-5342.
doi:10.1021/ac3007363

2011

Jürgen Popp, Anne März, Thomas Bocklitz: Verfahren zur Korrektur von Raman-spektroskopischen Daten in einem Mehrphasensystem
DE10 2011 016 059.0, (2011-04-01)

Thomas Dörfer, Thomas Bocklitz, Nicolae Tarcea, Michael Schmitt, Jürgen Popp: Checking and Improving Calibration of Raman Spectra using Chemometric Approaches. In: Zeitschrift für Physikalische Chemie : International Journal of Research in Physical Chemistry and Chemical Physics, 225 (2011). - S. 753-764.
doi:10.1524/zpch.2011.0077

U. Neugebauer, S. Dochow, C. Krafft, Thomas Bocklitz, J. H. Clement, J. Popp: Diagnostics of tumor cells by combination of Raman spectroscopy and microfluidics. In: Clinical and Biomedical Spectroscopy and Imaging II. - Bellingham, Wash. : SPIE, 2011.
doi:10.1364/ECBO.2011.80870J

Angela Walter, Wilm Schumacher, Thomas Bocklitz, Martin Reinicke, Petra Rösch, Erika Kothe, Jürgen Popp: From bulk to single-cell classification of the filamentous growing Streptomyces bacteria by means of Raman Spectroscopy. In: Applied Spectroscopy, 65 (2011). - S. 1116-1125.

Thomas Bocklitz, Angela Walter, Katharina Hartmann, Petra Rösch, Jürgen Popp: How to Pre-process Raman Spectra for reliable and stable models?. In: Analytica Chimica Acta, 704 (2011). - S. 47-56.
doi:10.1016/j.aca.2011.06.043

Anne März, Bettina Mönch, Angela Walter, Thomas Bocklitz, Wilm Schumacher, Petra Rösch, Michael Kiehntopf, Jürgen Popp: The multifunctional application of microfluidic lab-on-a-chip surface enhanced Raman spectroscopy (LOC-SERS) within the field of bioanalytics. In: Clinical and Biomedical Spectroscopy and Imaging II. - Bellingham, Wash. : SPIE, 2011.
doi:10.1364/ECBO.2011.808707

Anne März, Thomas Bocklitz, Jürgen Popp: Online-Calibration for Reliable and Robust Lab-on-a-Chip Surface Enhanced Raman Spectroscopy Measurement in a Liquid/Liquid Segmented Flow. In: Analytical Chemistry, 83 (2011). - S. 8337-8340.
doi:10.1021/ac2015799

Angela Walter, Martin Reinicke, Thomas Bocklitz, Wilm Schumacher, Petra Rösch, Erika Kothe, Jürgen Popp: Raman Spectroscopic Detection of Physiology Changes in Plasmid-bearing Escherichia coli with and without Antibiotic Treatment. In: Analytical and Bioanalytical Chemistry, 400 (2011). - S. 2763-2773.
doi:10.1007/s00216-011-4819-4

Sebastian Dochow, Christoph Krafft, Ute Neugebauer, Thomas Bocklitz, Thomas Henkel, Jens Albert, Jürgen Popp: Tumor Cell Identification by Means of Raman Spectroscopy in Combination with Optical Traps and microfluidic environments. In: Lab on a Chip, 11 (2011). - S. 1484-1490.
doi:10.1039/C0LC00612B

Thomas Bocklitz:Untersuchungen zu den Auswertestrategien RAMAN-Effekt-basierender Experimente. - Jena: 2011.
(Dissertation, 2011, Friedrich-Schiller-Universität Jena, Chemisch-Geowissenschaftliche Fakultät)

2010

Angela Walter, Susann Erdmann, Thomas Bocklitz, Elke-Martina Jung, Nadine Vogler, Denis Akimov, Benjamin Dietzek, Petra Rösch, Erika Kothe, Jürgen Popp: Analysis of the cytochrome distribution via linear and nonlinear Raman spectroscopy. In: Analyst, 135 (2010). - S. 908-917.
doi:10.1039/B921101B

Ute Neugebauer, Joachim H. Clement, Thomas Bocklitz, Christoph Krafft, Jürgen Popp: Identification and Differentiation of single cells from peripheral blood by Raman spectroscopic imaging. In: Journal of Biophotonics, 3 (2010). - S. 579-587.
doi:10.1002/jbio.201000020

Nadine Vogler, Thomas Bocklitz, Melissa Mariani, Volker Deckert, Aneta Markova, Peter Schelkens, Petra Rösch, Denis Akimov, Benjamin Dietzek, Jürgen Popp: Separation of CARS image contributions with a Gaussian Mixture Model. In: Journal of the Optical Society of America A, 27 (2010). - S. 1361-1371.
doi:10.1364/JOSAA.27.001361

U. Neugebauer, Thomas Bocklitz, J. H. Clement, C. Krafft, J. Popp: Towards detection and identification of circulating tumour cells using Raman spectroscopy. In: Analyst, 135 (2010). - S. 3178-3182.
doi:10.1039/c0an00608d

2009

Thomas Bocklitz, Melanie Putsche, Carsten Stüber, Josef Käs, Axel Niendorf, Petra Rösch, Jürgen Popp: A comprehensive study of classification methods for medical diagnosis. In: Journal of Raman Spectroscopy, 40 (2009). - S. 1759-1765.
doi:10.1002/jrs.2529

Anne März, Katrin R. Ackermann, Daniéll Malsch, Thomas Bocklitz, Thomas Henkel, Jürgen Popp: Towards a quantitative SERS approach : online monitoring of analytes in a microfluidic system with isotope-edited internal standards. In: Journal of Biophotonics, 2 (2009). - S. 232-242.
doi:10.1002/jbio.200810069