Publikationen

41. Infrared nanoscopy for subcellular chemical imaging

K. Kanevche, D. J. Burr, J. Drauschke, J. Kozuch, C. Baiz, A. Elsaesser, J. Heberle
Quart. Rev. Biophys. Discovery, 2025, accepted, 10.1017/qrd.2025.10014

In this review, we give a perspective on the infrared nanoscopic methods scattering-type scanning nearfield optical microscopy (sSNOM) and nanoscale Fourier transform infrared (nanoFTIR) spectroscopy for the label-free imaging of biological tissues.

40. Covalent Drug Binding in Live Cells Monitored by Mid-Infrared Quantum Cascade Laser Spectroscopy: Photoactive Yellow Protein as a Model System

S. Mukherjee, S. D. E. Fried, N. Y. Hong, N. Bagheri, J. Kozuch, I. I. Mathews, J. M. Kirsh, S. G. Boxer
J. Am. Chem. Soc., 2025, 147, 51, 47213–47222, 10.1021/jacs.5c14498

Using a quantum cascade laser-based infrared spectrometer we detect spectral changes of a C≡N-containing noncanonical aminoacid introduced into the model system PYP during covalent binding events - a proof-of-concept for future in-cell drug binding studies.

39. Interrogating (anti)microbial mechanisms using vibrational spectroscopy – from electrostatic effects in catalysis to virus-membrane interactions

J. Kozuch
Bunsen-Magazin, 2025, 6, 237-240, 10.26125/pxp4-p755

Vibrational spectroscopy reveals molecular mechanisms of (anti)microbial action by probing structural and electrostatic changes. Using vibrational Stark-based electric-field measurements and surface-enhanced infrared absorption we investigate electrostatic catalysis in antibiotic resistance and track virus–membrane interactions - with extension to nanometer resolution via infrared nanoscopy.

38. Label-Free Detection of Virus-Membrane-Interactions Using Surface-Enhanced Infrared Absorption (SEIRA) Spectroscopy

A. T. Heinen, S. Heermant, D. C. Lauster, S. Block, J. Kozuch 
Angew. Chem. Int. Ed., 2025, 64, e202502998, 10.1002/anie.202502998

German Version: Angew. Chem. Int. Ed., 2025 137, e202502998, 10.1002/ange.202502998

Many virus binding and fusion assays rely on the introduction of fluorescent dyes into viruses or membrane models. Combining model membranes with surface-enhanced infrared absorption spectroscopy enables label-free monitoring such processes with molecular structure information.
 

37. Infrared spectroscopic signatures of the fluorous effect arise from a change of conformational dynamics

R. Cruz, M. Becker, J. Kozuch, K. Ataka, R. Netz, J. Heberle
J. Am. Chem. Soc., 2025, 147, 12040–12050, 10.1021/jacs.4c18434

Perfluorous compounds are distinguished by their simultaneous repulsion of both hydrophilic and hydrophobic species, and a pronounced fluorophilicity that are responsible for their environmental and health-related impact. We dissect infrared spectroscopic markers that allow detecting perfluorous interactions.

36. Data-driven signal-to-noise enhancement in scattering near-field infrared microscopy

C. R. Baiz, K. Kanevche, J. Kozuch, J. Heberle
J. Chem. Phys., 2025, 162, 054201, https://doi.org/10.1063/5.0247251

Using machine learning methods enables to denoise images recorded using scattering-type scanning nearfield microscopy. We demonstrate this approach using a set of images of Chlamydomonas reinhardtii cell slices.

35. Hydrogen bond blueshifts in nitrile vibrational spectra are dictated by hydrogen bond geometry and dynamics

J. M. Kirsh, J. Kozuch
JACS Au, 2024, 4, 4844-4855, 10.1021/jacsau.4c00811

Nitriles are the most prominent vibrational Stark probes for experimental quantification of electric fields in solution, at electrodes or proteins. However, when H-bonding the electric field analysis becomes complicated due to the anomalous H-bond blueshift. We show that the blueshift informs on H-bond geometry and dynamics.

34. Evaluating aliphatic CF, CF2, and CF3 groups as vibrational Stark effect reporters

R. Cruz, K. Ataka, J. Heberle, J. Kozuch
J. Chem. Phys., 2024, 160, 204308, 10.1063/5.0198303

The vibrational Stark effect enables measuring electric fields experimentally using popular probes like C=O or C≡N stretches. Is it possible to use CF, CF₂ and CF₃ groups in aliphatic molecules as electric field probes?

33. Cation dependence of enniatin B/membrane-interactions assessed using surface-enhanced infrared absorption spectroscopy

B. D. Gonzalez, E. Forbrig, G. Yao, P. Kielb, M. A. Mroginski, P. Hildebrandt, J. Kozuch
ChemPlusChem, 2024, e202400159, 10.1002/cplu.202400159

Enniatins are known as ionophores that perturb the cellular homeostasis, but have recently been re-discovered as potential anticancer drugs. Interaction with Na⁺ and K⁺ causes membrane incorporations, but Mg²⁺ and Ca²⁺ lead to abstraction as a potential mechanism of cell entry.

32. Critical Evaluation of Polarizable and Nonpolarizable Force Fields for Proteins using Experimentally-Derived Nitrile Electric Fields

J. M. Kirsh, J. B. Weaver, S. G. Boxer, J. Kozuch
J. Am. Chem. Soc., 2024, 146, 6983–6991, 10.1021/jacs.3c14775

MD force fields are carefully parameterized against structural and thermodynamic global observables. However, this begs the question, if the underlying local noncovalent interaction are described accurately? Using the vibrational Stark effect of nitriles, we show that H-bonding interactions in proteins are more accurately simulated in the polarizable AMOEBA force field.

31. In situ spectroscopic detection of large-scale reorientations of transmembrane helices during influenza A M2 channel opening

R. R. Paschke, S. Mohr, S. Lange, A. Lange, J. Kozuch
Angew. Chem. Int. Ed., 2023, 62, e202309069, 10.1002/anie.202309069

German Version: Angew. Chem. Ger. Ed., 2023, 135, e202309069, 10.1002/ange.202309069

Viroporins are viral ion channels that play important role during viral infection and, thus, present important drug targets. Using SEIRA spectroscopy we monitor the opening of the Influenza A M2 proton channel in a model membrane.

30. Surface-enhanced infrared absorption spectroscopy

J. Kozuch, K. Ataka, J. Heberle
Nat. Rev. Methods Primers, 2023, 3, 70, 10.1038/s43586-023-00253-8

SEIRA spectroscopy is an important tool in the molecular analysis of surfaces. We review the basis for SEIRA, common approaches as well as important case studies in the fields of electrochemistry, trace analysis and (bio)functional investigations.