Hermsen A, Hertel F, Wilbert D, Mayer C, and Jaeger M. MD and DFT Calculations to Analyze Raman and SERS Spectra of Paraquat—From Computer Aided Spectra Interpretation to Pesticide Identification. Applied Research. 2024, e2400182.
doi.org/10.1002/appl.202400182
Voigt, M., and Jaeger, M. Efficiency increased advanced oxidation processes by persalts for the elimination of pharmaceuticals in waterbodies: a short review. Discover Chemical Engineering. 2024, 4, 16.
doi.org/10.1007/s43938-024-00052-x
Schmiemann D., Bicks F., Bartels I., Cordes A., Bachmann F., Cordes A., Jaeger M., Gutmann J.S., and K. Hoffmann‐Jacobsen, Enzymatic degradability of diclofenac ozonation products: Amechanistic analysis. Chemosphere, 2024, 358, 142112
doi.org/10.1016/j.chemosphere.2024.142112
Voigt, M., Dluziak, J.-M., Wellen, N., and Jaeger, M. Mechanistic study of the electrochemical oxidation of fluoroquinolones: Ciprofloxacin, danofloxacin, enoxacin, levofloxacin and lomefloxacin. Chemosphere. 2024, 355, 141763.
doi.org/10.1016/j.chemosphere.2024.141763
Hermsen A, Hertel F, Wilbert D, Gronau T, Mayer C, and Jaeger M. Pesticide Identification Using Surface-Enhanced Raman Spectroscopy and Density Functional Theory Calculations: From Structural Insights to On-Site Detection. Applied Spectroscopy. 2024, 78, 616-626.
doi.org/10.1177/00037028241236501
Voigt, M., Dluziak, JM., Wellen, N., Langerbein V., and Jaeger M. Comparison of photoinduced and electrochemically induced degradation of venlafaxine. Environ Sci Pollut Res . 2024, 31, 13442-13454.
doi.org/10.1007/s11356-024-32018-5
Voigt M., Dluziak J.-M., Wellen N., Langerbein V., and Jaeger M. Univariate and multivariate kinetic and structural analysis of photoinduced tetracycline degradation. Tox. Env. Chem., 2023, 105, 221-237.
doi.org/10.1080/02772248.2023.2274575
Bartels, I., Jaeger, M., and Schmidt, T.C. Determination of anti-SARS-CoV-2 virustatic pharmaceuticals in the aquatic environment using high-performance liquid chromatography high-resolution mass spectrometry. Analytical and Bioanalytical Chemistry, 2023, 415, 5365-5377.
doi.org/10.1007/s00216-023-04811-7
Szykuła M., Offermans T., Lischtschenko O., Meurs J., Guenther D., Mattley Y., Jaeger M., and Honing M., Predicting Animal Welfare Labels from Pork Fat Using Raman Spectroscopy and Chemometrics. Applied Chemistry, 2023, 3, 279-289. doi.org/10.3390/appliedchem3020017
Reinders, L.M.H., Klassen, M.D., Endres, P., Jaeger, M., Schmidt, T.C., Teutenberg, T., and Tuerk, J. Quality Control of Personalized Drug Products - Identity and Quantity of Monoclonal Antibodies as Active Pharmaceutical Ingredient. Journal of Pharmaceutical Sciences, 2023, 112, 2143 - 2145.
doi.org/0.1016/j.xphs.2023.06.009
Voigt M., Dluziak J.-M., Wellen N.,Langerbein V., and Jaeger M. Photoinduced degradation of three azole compounds from 3rd EU watchlist monitored by high-resolution higher-order mass spectrometry – Part II: A critical in silico ecotoxicity assessment and application of ecotoxicty equivalents. Environmental Advances, 2023, 11, 100356.
doi.org/10.1016/j.envadv.2023.100356
Schmiemann D., Hohenschon L., Bartels I., Hermsen A., Bachmann F., Cordes A., Jaeger M., Gutmann J.S., and K. Hoffmann‐Jacobsen, Enzymatic post-treatment of ozonation: laccase-mediated removal of the by-products of acetaminophen ozonation, Environmental Science and Pollution Research, 2023, 30, 53128–53139.
doi.org/10.1007/s11356-023-25913-w
Mahler, L., Legner, R., and M. Jaeger, Heterocovariance and data fusion in PAT. G.I.T. Laboratory Journal 2023, X-X, yy-zz; Spektrometer- und Datenkombination für die Prozessanalytik . GIT - Labor-Fachzeitschrift 2023, 67, 30-32.
bit.ly/GIT-Jaeger
Voigt M., Langerbein V., Dluziak J.-M., Wellen N., and Jaeger M. The role of the direct and indirect mechanism in the advanced oxidation process induced degradation of ciprofloxacin. Tox. Env. Chem., 2023, 105, 1-18.
doi.org/10.1080/02772248.2023.2168005
Reinders, L.M.H., Klassen, M.D., Endres, P., Krumm, A., Jaeger, M., Schmidt, T.C., and Teutenberg, T. Development of a Two-dimensional Liquid Chromatography High-Resolution Mass Spectrometry Method for the Characterization of Monoclonal Antibodies in Cell-Free Culture Supernatant via FcR Affinity Chromatography. Chromatographia, 2023, 86, 79 - 85.
doi.org/10.1007/s10337-022-04228-x
Cattelaens F., Jaeger M., and Myrdek T. Purification of carboxymethylated fatty alcohol derivates using ion exchange resins. Journal of Surfactants and Detergents, 2023, 26, 111-117.
doi.org/10.1002/jsde.12641
Reinders L.M.H., Noelle D., Klassen M.D., Jaeger M., Schmidt T.C., Tuerk J., Teutenberg T., Development and validation of a method for airborne monoclonal antibodies to quantify workplace exposure, Journal of Pharmaceutical and Biomedical Analysis, 2022, 115046.
doi.org/10.1016/j.jpba.2022.115046
Voigt M., Wellen N., Dluziak J.-M., Langerbein V., and Jaeger M. Photoinduced degradation of three azole compounds from 3rd EU watchlist monitored by high-resolution higher-order mass spectrometry – Part I: A mechanistic study. Environmental Advances, 2022, 9, 100288.
doi.org/10.1016/j.envadv.2022.100288
Reinders, L.M.H., Klassen, M.D., Teutenberg, T., Jaeger, M., and Schmidt, T.C. Comparison of originator and biosimilar monoclonal antibodies using HRMS, Fc affinity chromatography, and 2D-HPLC. Anal. Bioanal. Chem. 414, 6761-6769, 2022.
doi.org/10.1007/s00216-022-04236-8
Hermes, P.; Hermsen, A.; Jaeger, M.; Gutmann, J.S.; Strehmel, V.; Strehmel, B. Challenges and limits of upconversion nanoparticles for cationic photopolymerization with UV initiators excited at 980 nm. Polym. Chem. 13, 4879-4886, 2022.
doi.org/10.1039/D2PY00460G
Hermsen A., Schoettl J., Hertel F., Cerullo M., Schlueter A., Lehmann C.W., Mayer, C., and Jaeger M. Green Textile Materials for Surface Enhanced Raman Spectroscopy Identification of Pesticides Using a Raman Handheld Spectrometer for In-Field Detection. Appl. Spectrosc. 76, 1222-1233, 2022.
doi.org/10.1177/00037028221097130
Voigt, M.; Langerbein, V.; Jaeger, M. In silico ecotoxicity assessment of photoinduced imidacloprid degradation using HPLC–HRMS, QSAR and ecotoxicity equivalents. Environmental Sciences Europe 2022, 34, 47.
doi.org/10.1186/s12302-022-00616-0
Hermsen A., Lamers D., Schoettl J., Mayer, C., and Jaeger M. In-field detection method for imidacloprid by surface enhanced Raman spectroscopy. Tox. Env. Chem. 104, 36-54, 2022.
doi.org/10.1080/02772248.2021.1991929
Reinders, L.M.H., Klassen, M.D., Teutenberg, T., Jaeger, M., and Schmidt, T.C. Development of a multidimensional online method for the characterization and quantification of monoclonal antibodies using immobilized flow-through enzyme reactors. Anal. Bioanal. Chem. 413, 7119–7128, 2021.
doi.org/10.1007/s00216-021-03683-z.
Voigt,M.; Bartels,I.; Schmiemann, D.; Votel, L.; Hoffmann-Jacobsen, K.; Jaeger, M. Metoprolol and Its Degradation and Transformation Products Using AOPs—Assessment of Aquatic Ecotoxicity Using QSAR. Molecules 2021, 26, 3102.
doi.org/10.3390/molecules26113102
Reinders, L.M.H., Klassen, M.D., vom Eyser, C., Teutenberg, T., Jaeger, M., Schmidt, T.C., and J. Tuerk, A Quality control of cytostatic drug preparations-comparison of workflow and performance of Raman/UV and high-performance liquid chromatography coupled with diode array detection (HPLC-DAD). Anal. Bioanal. Chem. 2021, 413, 2587-2596.
doi.org/10.1007/s00216-021-03223-9.
Legner, R., Voigt, M., Servatius, C., Klein, J., Hambitzer, A., and Jaeger, M. A Four-Level Maturity Index for Hot Peppers (Capsicum annum) Using Non-Invasive Automated Mobile Raman Spectroscopy for On-Site Testing. Appl. Sci. 2021, 11, 1614.
doi.org/10.3390/app11041614
Voigt M., and Jaeger M., Structure and QSAR analysis of photoinduced transformation products of neonicotinoids from EU watchlist for ecotoxicological assessment, Sci. Total Environ., 2021, 751, 141634.
doi.org/10.1016/j.scitotenv.2020.141634
Voigt M., Wirtz A, Hoffmann-Jacobsen K., and Jaeger M., Prior art for the development of a fourth purification stage in wastewater treatment plant for the elimination of anthropogenic micropollutants-a short-review, AIMS Environ. Sci., 2020, 7, 69–98.
doi.org/10.3934/environsci.2020005
Voigt M., Hentschel B., Theiss N., Savelsberg C., Bartels I., Nickisch-Hartfiel A., and Jaeger M., Lomefloxacin—Occurrence in the German River Erft, Its Photo-Induced Elimination, and Assessment of Ecotoxicity. Clean. Technol. 2020, 2, 74-90.
doi.org/10.3390/cleantechnol2010006
Legner R., Voigt M., Wirtz A., Friesen A., Haefner S., and Jaeger M. Using Compact Proton Nuclear Magnetic Resonance at 80 MHz and Vibrational Spectroscopies and Data Fusion for Research Octane Number and Gasoline Additive Determination, Energy & Fuels 2020, 34, 103-110.
doi.org/10.1021/acs.energyfuels.9b02944
Voigt M., Bartels I., Nickisch-Hartfiel A., and Jaeger M., Determination of minimum inhibitory concentration and half maximal inhibitory concentration of antibiotics and their degradation products to assess the eco-toxicological potential. Tox. Env. Chem. 2019, 101, 315-338.
doi.org/10.1080/02772248.2019.1687706
Legner R., Wirtz A., Koza T, Tetzlaff T., Nickisch-Hartfiel A., and Jaeger M., Application of green analytical chemistry to a green chemistry process: Magnetic resonance and Raman spectroscopic process monitoring of continuous ethanolic fermentation. Biotechnology and Bioengineering. 2019, 116, 2874-2883. (open access)
doi.org/10.1002/bit.27112
Schmitz C., Yang P., Guelz A, Glaeser M, Horst J, Jaeger M., and Strehmel B., New High‐Power LEDs Open Photochemistry for Near‐Infrared‐Sensitized Radical and Cationic Photopolymerization. Angew. Chem. Int. Ed. 2019, 58, 4400-4404.
dx.doi.org/10.1002/anie.201813696
Voigt M., Legner R., Haefner S., Friesen A., Wirtz A., and Jaeger M., Using fieldable spectrometers and chemometric methods to determine RON of gasoline from petrol stations: A comparison of low-field 1H NMR@80 MHz, handheld RAMAN and benchtop NIR. Fuel. 2019, 236, 829-835.
dx.doi.org/10.1016/j.fuel.2018.09.006
Voigt M., Bartels I., Nickisch-Hartfiel A., and Jaeger M., Elimination of macrolides in water bodies using photochemical oxidation. AIMS Environ. Sci. 2018, 5, 372-388.
dx.doi.org/10.3934/environsci.2018.5.372
Legner R., Wirtz A., and Jaeger M., Using Compact 1H NMR, NIR and Raman Spectroscopy Combined with Multivariate Data Analysis to Monitor a Biocatalyzed Reaction in a Microreaction System, J. Spectrosc. 2018, 2018, 11 pages. (open access)
doi.org/10.1155/2018/5120789
Wunschik D.S., Ingenbosch K.N., Zaehres M., Horst J., Mayer C., Jaeger M., Strehmel V., Dornbusch M., and Hoffmann-Jacobsen K., Biocatalytic and solvent-free synthesis of a bio-based biscyclocarbonate, Green Chemistry. 2018, 20, 4738-4745.
doi.org/10.1039/c8gc02267d
Werres T., Leonhardt J., Jaeger M., Teutenberg, T., Critical Comparison of Liquid Chromatography Coupled to Mass Spectrometry and Three Different Ion Mobility Spectrometry Systems on Their Separation Capability for Small Isomeric Compounds, Chromatographia. 2019, 82, 251-260.
doi.org/10.1007/s10337-018-3640-z
Voigt M., Savelsberg C., and Jaeger M., Identification of Pharmaceuticals in The Aquatic Environment Using HPLC-ESI-Q-TOF-MS and Elimination of Erythromycin Through Photo-Induced Degradation. J. Vis. Exp. 2018, 138, e57434. (open access and video)
dx.doi.org/10.3791/57434
Reinders L., Klassen M.D, Jaeger M., Teutenberg T., and Tuerk J., Development of an analytical method to assess the occupational health risk of therapeutic monoclonal antibodies using LC-HRMS. Anal. Bioanal. Chem. 2018, 410, 2829-2836.
dx.doi.org/10.1007/s00216-018-0966-1
Jaeger M. and Legner R., Homo- and heterocovariance NMR spectroscopy and applications to process analyticyl technology. In Spectroscopic Analyses - Developments and Applications, Zafar F. (ed.), InTech, 2017.
https://www.intechopen.com/books/spectroscopic-analyses-developments-and-applications/homo-and-hetero-covariance-nmr-spectroscopy-and-applications-to-process-analytical-technology
Voigt M., Bartels I., Nickisch-Hartfiel A., and Jaeger M., Photoinduced degradation of sulfonamides, kinetic, and structural characterization of transformation products and assessment of environmental toxicity. Tox. Env. Chem. 2017, 99, 1304-1327.
dx.doi.org/10.1080/02772248.2017.1373777
Voigt M., Gold A., Blaesing C., Hoelscher T., and Jaeger M., Murky Waters. The Analytical Scientist. 2017, 0217, 36-41.
theanalyticalscientist.com/issues/0217/murky-waters/
Hetzel T., Blaesing C., Jaeger M., Teutenberg T., and Schmidt T.C., Characterization of peak capacity of microbore liquid chromatography columns using gradient kinetic plots. J. Chrom. A. 2017, 1485, 62-69.
dx.doi.org/10.1016/j.chroma.2017.01.018
Voigt M., and Jaeger M., On the photodegradation of azithromycin, erythromycin, and tylosin and their transformation products - A kinetic study. Sustainable Chemistry & Pharmacy. 2017, 5, 131-140.
dx.doi.org/10.1016/j.scp.2016.12.001
Voigt M., Savelsberg C., and Jaeger M., Photodegradation of the antibiotic spiramycin studied by high-performance liquid chromatography-electrospray ionization-quadrupole time-of-flight mass spectrometry. Tox. Env. Chem. 2017, 99, 624-640.
dx.doi.org/10.1080/02772248.2017.1280039
Jaeger M., Aspers R.L.E.G. and Voigt M. (2017) Covariance NMR. In: Lindon, J.C., Tranter, G.E., and Koppenaal, D.W. (eds.) The Encyclopedia of Spectroscopy and Spectrometry, 3rd edition vol. 1, pp. 396-400.
dx.doi.org/10.1016/B978-0-12-409547-2.12106-7
Legner R., Friesen A., Voigt M., Horst J., and Jaeger M., Automation of the picoSpin 80 1H NMR benchtop spectrometer for high-throughput determination of the research octane number of fuels. thermoscientific application note 2016, AN52906.
tools.thermofisher.com/content/sfs/brochures/AN52906-picoSpin-80-II-r16-12-05.pdf
Legner, R., S. Haefner, M. Voigt, J. Horst, B. Eichel, P. Naderwitz, and M. Jaeger, Micro Process Analytical Technologies. G.I.T. Laboratory Journal 2016, 20, 38-40; Mikro - Prozess - Analytik. GIT - Labor-Fachzeitschrift 2015, 59, 32-34.
Wijmenga, S.S. and M. Jaeger, 19F-Detected NMR of Multifluorinated Compounds. eMagRes. 2015, 31-36.
dx.doi.org/10.1002/9780470034590.emrstm1365
Jaeger, M., and R.L.E.G. Aspers, Covariance NMR and Small Molecule Applications. Annu. Rep. NMR Spectrosc. 2014, 83, 271-349.
doi.org/10.1016/B978-0-12-800183-7.00005-8
Aspers, R.L.E.G., K.A.M. Ampt, P. Dvortsak, M. Jaeger, and S.S Wijmenga, Fluorine detected 2D NMR experiments for the practical determination of size and sign of homonuclear F-F and heteronuclear C-F multiple bond J-coupling constants in multiple fluorinated compounds. J. Magn. Reson. 2013, 231, 79-89.
Jaeger, M., and R.L.E.G. Aspers, Steroids and NMR. Annu. Rep. NMR Spectrosc. 2012, 77, 115-258.
doi.org/10.1016/B978-0-12-397020-6.00003-9
Ampt, K.A.M., R.L.E.G. Aspers, P. Dvortsak, R.M. van der Werf, S.S. Wijmenga, and M. Jaeger, Determination of size and sign of hetero-nuclear coupling constants from 2D 19F-13C correlation spectra. J. Magn. Reson. 2012, 215, 27-33.
Kaptein A., A. Oubrie, E. de Zwart, N. Hoogenboom, J. de Wit, B. van de Kar, M. van Hoek, G. Vogel, V. de Kimpe, C. Schultz-Fademrecht, J. Borsboom, M. van Zeeland, J. Versteegh, B. Kazemier, J. de Roos, F. Wijnands, J. Dulos, M. Jaeger, P. Leandro-Garcia, T. Barf, Discovery of selective and orally available spiro-3-piperidyl ATP-competitive MK2 Inhibitors. Biorg. Med. Chem. Lett. 2011, 21, 3823-3827.
Aspers, R.L.E.G., P.E.T.J. Geutjes, M. Honing, and M. Jaeger, Using indirect covariance processing for structure elucidation of small molecules in cases of spectral crowding. Magn. Reson. Chem. 2011, 49, 425-436.
Ampt, K.A.M., R.L.E.G. Aspers, M. Jaeger, P.E.T.J. Geutjes, M. Honing, and S.S. Wijmenga, Application of Fluorine NMR for structure identification of steroids. Magn. Reson. Chem. 2011, 49, 221-230.
Jaeger, M., B. Rothacker, T. Ilg, Saturation transfer differenece NMR studies on substrates and inhibitors of succinic semialdehyde dehydrogenases. Biochem. Biophys. Res. Commun. 2008, 372, 400-406.
Chassaing, C., M. Berger, A. Heckeroth, T. Ilg, M. Jaeger, C. Kern, K. Schmid, M. Uphoff, Highly water-soluble prodrugs of anthelmintic benzimidazole carbamates: Synthesis, pharmacodynamics, and pharmacokinetics. J. Med. Chem. 2008, 51, 1111-1114.
Kolano, C., G. Bucher, H.H. Wenk, M. Jaeger, O. Schade, and W. Sander, Photochemistry of 9-fluorenone oxime phenylglyoxalate: a combined TRIR, TREPR and ab initio study. J. Phys. Org. Chem. 2004, 17, 207-214.
Ostafin, A.E., N.S. Ponomarenko, J.A. Popova, M. Jaeger, E.J. Bylina, and J.R. Norris, Jr., Characterization of expressed pigmented core light harvesting complex (LH 1) in a reaction center deficient mutant of Blastochloris viridis. Photosynth. Res., 2003, 77, 53-68.
Kolbasov, D., N. Srivatsan, N. Ponomarenko, M. Jaeger, and J.R. Norris, Jr., Modeling Charge Transfer in Oxidized Bacterial Antenna Complexes. J. Phys. Chem. B, 2003, 107, 2386-2393.
Jaeger, M., and J.R. Norris, Jr., Computation of time-resolved EPR spectra of systems exhibiting electron spin polarization complicated by magnetization transfer. J. Phys. Chem. A, 2002, 106, 3659-3664.
Jager, M., B.C. Yu, and J.R. Norris, Jr., Exploring Complex CIDEP of p-Benzosemiquinones with Time-Resolved CW-EPR. Mol. Phys., 2002, 100, 1323-1331.
Jager, M. and J.R. Norris, Jr., A Time-resolved EPR study of the Electron-spin-polarization Pathways of p-Benzoquinone. J. Magn. Reson., 2001, 150, 26-34.
Jaeger, M., P. Schuler, H.B. Stegmann, and A. Rockenbauer, Molecular recognition analyzed by observing intramolecular interconversion with EPR spectroscopy. Z. Naturforsch., B: Chem. Sci., 1998. 53(12), 1511-1519.
Jager, M., P. Schuler, H.B. Stegmann, and A. Rockenbauer, Molecular recognition. II Discrimination of specific and non-specific intermolecular interactions by means of magnetic resonance spectroscopy. Magn. Reson. Chem., 1998. 36(3), 205-210.
Jager, M. and H.B. Stegmann, Stereoelectronic effect at nitrogen in 2,6-di-tert-butyl-4-(N,N-disubstituted aminomethyl)phenoxyl radicals. J. Chem. Soc., Perkin Trans. 2, 1998(3), 697-700.
Jaeger, M. and H.B. Stegmann, Molecular recognition analyzed by EPR, ENDOR, and NMR spectroscopy. Angew. Chem. 1996. 108: p. 1943-1946; Angew. Chem., Int. Ed. Engl., 1996. 35(16), 1815-1818.
Buchbeiträge
Voigt M. and Jaeger, M. Chapter 36 - In silico and in vivo ecotoxicity—QSAR-based predictions and experimental assays for the aquatic environment. In: Hong, H. (ed.) QSAR in Safety Evaluation and Risk Assessment. pp. 495-509. Academic Press, 2023. https://doi.org/10.1016/B978-0-443-15339-6.00018-7
Jaeger M. and Aspers R.L.E.G. Nuclear Magnetic Resonance of Steroids. In: Williams, A.J., Martin, G.E., and Rovnyak, D. (eds.) Modern NMR Approaches to the Structure Elucidation of Natural Products: Volume 2: Data Acquisition and Applications to Compound Classes. pp. 275-314. The Royal Society of Chemistry, www.rsc.org, 2017. DOI:10.1039/9781849734684
Mecke, R., H.H. Jäger, and M. Jäger. Aroxyl Radicals in “Landolt-Börnstein/New Series. Numerical Data and Functional Relationships in Science and Technology”, New Series, Vol. II/ 26. c, Springer-Verlag, Berlin, Heidelberg, New York 2004.