Ep. 29: Quantitative Spectroscopy and Wave Optics in Infrared Spectroscopy
Welcome to “Analytically Speaking,” the podcast from LCGC International and Spectroscopy.
Here in Episode #29, podcast host Dr. Jerry Workman speaks with Dr. Thomas Mayerhöfer from the Leibniz Institute of Photonic Technology in Jena, Germany, about quantitative spectroscopy and wave optics in infrared spectroscopy, including the theory, simulation, and modeling aspects.
References and Further Reading
“The History and Practice of Quantitative Spectroscopy and Wave Optics in Infrared Spectroscopy”
Website (LinkedIn):
https://www.linkedin.com/in/thomas-mayerh%C3%B6fer-45419b243/
Google Scholar:
https://scholar.google.com/citations?hl=en&user=q7iMV-MAAAAJ
Books and Articles
(1) Mayerhöfer, T. G. Wave Optics in Infrared Spectroscopy - Theory, Simulation and Modeling; Elsevier: Philadelphia, 2024.
(2) Mayerhöfer, T. G.; Costa, W. D. P.; Popp, J. Sophisticated Attenuated Total Reflection Correction Within Seconds for Unpolarized Incident Light at 45°. Appl. Spectrosc. 2024, 78 (3), 321–328. https://doi.org/10.1177/00037028231219528.
(3) Mayerhöfer, T. G.; Pahlow, S.; Ivanovski, V.; Popp, J. Dispersion Related Coupling Effects in IR Spectra on the Example of Water and Amide I Bands. Spectrochim. Acta, Part A: Mol. Biomol. Spectrosc. 2023, 288, 122115. https://doi.org/10.1016/j.saa.2022.122115
(4) Mayerhöfer, T. G.; Singh, A. K.; Huang, J.-S.; Krafft, C.; Popp, J. Quantitative Evaluation of IR and Corresponding VCD Spectra. Spectrochim. Acta, Part A: Mol. Biomol. Spectrosc. 2024, 305, 123549. https://doi.org/10.1016/j.saa.2023.123549.
(5) Mayerhöfer, T. G.; Noda, I.; Pahlow, S.; Heintzmann, R.; Popp, J. Correcting Systematic Errors by Hybrid 2D Correlation Loss Functions in Nonlinear Inverse Modelling. PLOS ONE 2023, 18 (4), e0284723. https://doi.org/10.1371/journal.pone.0284723
(6) Mayerhöfer, T. G.; Spange, S. Understanding Refractive Index Changes in Homologous Series of Unbranched Organic Compounds Based on Beer's Law. ChemPhysChem 2023, 24 (19), e202300430. https://doi.org/10.1002/cphc.202300430
(7) Mayerhöfer, T. G.; Ilchenko, O.; Kutsyk, A.; Popp, J. Beyond Beer’s Law: Quasi-Ideal Binary Liquid Mixtures. Appl. Spectrosc. 2022, 76 (1), 92–104. https://doi.org/10.1177/00037028211056293
(8) Mayerhöfer, T. G.; Ilchenko, O.; Kutsyk, A.; Popp, J. Infrared Spectroscopy of Quasi-Ideal Binary Liquid Mixtures: The Challenges of Conventional Chemometric Regression. Spectrochim. Acta, Part A: Mol. Biomol. Spectrosc. 2022, 280, 121518. https://doi.org/10.1016/j.saa.2022.121518.
(9) Spange, S.; Mayerhöfer, T. G. The Negative Solvatochromism of Reichardt's Dye B30 – A Complementary Study. ChemPhysChem 2022, 23 (n/a), e202200100. https://doi.org/10.1002/cphc.202200100.
(10) Mayerhöfer, T. G.; Ivanovski, V.; Popp, J. Infrared Refraction Spectroscopy - Kramers-Kronig Analysis Revisited. Spectrochim. Acta, Part A: Mol. Biomol. Spectrosc. 2022, 270, 120799. https://doi.org/10.1016/j.saa.2021.120799.
(11) Mayerhöfer, T. G.; Pahlow, S.; Hübner, U.; Popp, J. CaF2: An Ideal Substrate Material for Infrared Spectroscopy? Anal. Chem. 2020, 92 (13), 9024–9031. https://doi.org/10.1021/acs.analchem.0c01158
(12) Mayerhöfer, T. G.; Ivanovski, V.; Popp, J. Infrared Refraction Spectroscopy. Appl. Spectrosc. 2021, 75 (12), 1526–1531. https://doi.org/10.1177/00037028211036761
(13) Mayerhöfer, T. G.; Pahlow, S.; Hübner, U.; Popp, J. Removing Interference-Based Effects from Infrared Spectra – Interference Fringes Re-Revisited. Analyst 2020, 145 (9), 3385–3394. https://doi.org/10.1039/D0AN00062K
(14) Mayerhöfer, T. G.; Pahlow, S.; Popp, J. The Bouguer-Beer-Lambert Law: Shining Light on the Obscure. ChemPhysChem 2020, 21 (18), 2029–2046. https://doi.org/10.1002/cphc.202000464
(15) Mayerhöfer, T. G.; Popp, J. Beyond Beer's Law: Revisiting the Lorentz-Lorenz Equation. ChemPhysChem 2020, 21, 1218–1223. https://doi.org/10.1002/cphc.202000301
(16) Mayerhöfer, T. G.; Popp, J. Beyond Beer's Law: Spectral Mixing Rules. Appl. Spectrosc. 2020, 74 (10), 1287–1294. https://doi.org/10.1177/0003702820942273
(17) Mayerhöfer, T. G.; Dabrowska, A.; Schwaighofer, A.; Lendl, B.; Popp, J. Beyond Beer's Law: Why the Index of Refraction Depends (Almost) Linearly on Concentration. ChemPhysChem 2020, 21 (8), 707–711. https://doi.org/10.1002/cphc.202000018
(18) Mayerhöfer, T. G.; Popp, J. Beer's Law – Why Absorbance Depends (Almost) Linearly on Concentration. ChemPhysChem 2019, 20 (4), 511–515. https://doi.org/10.1002/cphc.201801073
(19) Mayerhöfer, T. G.; Popp, J. Beer's Law Derived from Electromagnetic Theory. Spectrochim. Acta, Part A: Mol. Biomol. Spectrosc. 2019, 215, 345–347. https://doi.org/10.1016/j.saa.2019.02.103
(20) Mayerhöfer, T. G.; Popp, J. The Electric Field Standing Wave Effect in Infrared Transflection Spectroscopy. Spectrochim. Acta, Part A: Mol. Biomol. Spectrosc. 2018, 191, 283–289. https://doi.org/10.1016/j.saa.2017.10.033
More about our hosts:
Dwight Stoll, PhD:
Dwight R. Stoll is a professor of chemistry at Gustavus Adolphus College in St. Peter, Minnesota. He received his PhD from the University of Minnesota, under Professor Peter Carr, working on the development of fast, comprehensive two-dimensional liquid chromatography (2D-LC). Stoll’s current primary research focus is on the development of 2D-LC for both targeted and untargeted analyses. Active research projects in his laboratory touch on most aspects of multidimensional separation methodologies, including optimization strategies, characterization of selectivity in reversed-phase LC, instrument development, and applications in biopharmaceutical analysis. Stoll is the author or co-author of more than 80 peer-reviewed publications and six book chapters and has instructed numerous short courses in 2D-LC. In 2011 he was the recipient of LCGC’s Emerging Leader in Chromatography Award. In 2017 he received the Georges Guiochon Faculty Fellowship, and was recognized with an Agilent Technologies Thought Leader Award. He is also a member of LCGC’s editorial advisory board and is the editor of the “LC Troubleshooting” column in LCGC.
Jerome Workman, Jr., PhD:
Jerome (Jerry) J. Workman, Jr. is the Senior Technical Editor for LCGC and Spectroscopy. He has held positions as CTO, executive VP, senior research fellow, director, and senior scientist at companies of all sizes, from start-ups to world-leading corporations. He has been an adjunct faculty member of four universities and advised multiple graduate students. He has more than 75 U.S. and international patent applications and 30 issued U.S. and international patents and multiple trade secrets, as well as 500+ technical publications, and 20 reference book volumes on a broad range of spectroscopy and data processing techniques. He has received multiple awards from scientific societies, and has taught annual courses in spectroscopy, chemometrics, and statistics for the AOAC, ACS, ISA, FACSS, and at several universities and corporations. He is a Fellow of the American Institute of Chemists (FAIC), the American Society for Testing and Materials (ASTM), and the Royal Society of Chemistry in the UK (FRSC, CChem, CSci). Jerry holds B.A and M.A degrees from Saint Mary's University of Minnesota, and a PhD degree from Columbia Pacific University working in near-infrared spectroscopy. He is an alumnus of both Columbia University Business School and the MIT Sloan School of Management.
About the Analytically Speaking Podcast:
Analytically Speaking, the podcast from LCGC and Spectroscopy, addresses important issues in separation science and analytical spectroscopy. Topics include new analytical techniques, methods, and approaches; the latest trends; advances in instrument and software technology; practical solutions for specific applications; recent papers in the scientific literature and their applicability; challenges and solutions for data analysis and interpretation; analytical chemistry theory and fundamentals (from advanced research to tutorials and troubleshooting); and more. Our regular hosts are Dwight Stoll, PhD, a professor of chemistry at Gustavus Adolphus College in St. Peter, Minnesota, and Jerry Workman, PhD, a spectroscopist, noted author, and currently the Senior Technical Editor of Spectroscopy and LCGC. Dwight covers separation science and Jerry addresses spectroscopy related topics.
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