Jürgen Popp’s research while affiliated with Leibniz Institute of Photonic Technology and other places

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Publications (999)


A multiplexing immunosensing platform for the simultaneous detection of Snake and Scorpion venoms: towards a better management of antidote administration
  • Article

May 2025

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38 Reads

Talanta

Abrar AlMusharraf

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Fig. 1 | Cerumen-SERS-ML workflow. Schematic workflow for rapid POC diagnostic of HNC using SERS in conjunction with ML through earwax analysis (Partially created with BioRender.com).
Fig. 5 | PCA-LDA performances on cerumen SERS spectra. A Dependency of the performance metrics of the binary PCA-LDA model (leave-two individuals-out cross-validated) discriminating between CTRLs and HNCs on the number of principal components used. The metrics plot: black points -metric value for a single (one out of 42) CV iteration, blue boxes -corresponding box-plots, red dots and lines -metrics calculated. The number of PCs varied from 2 to 50. B PCA-LDA coefficients of the model differentiating between CTRLs and HNCs patients using two 2 PCs (upper graph), 10 PCs (central graph) and 15 PCs (lower graph). Each color corresponds to a single CV iteration.
Tentative bands assignment for the SERS spectra
Point-of-care SERS-based ML diagnosis of head and neck cancer via cerumen analysis
  • Article
  • Full-text available

April 2025

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15 Reads

Download



Figure 1: Mean spectra of endospores of Bacillus (A), Clostridium (B), Paraclostridium and Clostridioides (C) species: (Bt) B. thuringiensis, (Bs) B. spizizenii, (Ls) L. sphaericus, (Bm) B. mycoides, (Bl) B. licheniformis, (Bc) B. cereus, (Ct) C. tertium, (Csp) C. sporogenes, (Cse) C. septicum, (Cp) C. perfringens, (Cf) C. felsineum, (Cc) C. cadaveris, (Cbu) C. butyricum, (Cbe) C. beijerinckii, (Cd) C. difficile and (Ps) P. sordellii.
Figure 2: Mean Raman spectra of endospores and vegetative cells of Bacillus (A) and Clostridium (B) as well as difference spectra calculated with the mean spectra (Endosporevegetative cell).
Figure 3: Raman spectra of single endospore development with increasing Ca-DPA concentration in C. difficile.
Figure 4: Bacillus cereus (A) and Clostridium butyricum (B) were cultured on nutrient agar (NA) supplemented with either CaCl 2 , MnSO 4 , or MgSO 4 .
Raman Spectroscopy as a Comprehensive Tool for Profiling Endospore-forming Bacteria

March 2025

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21 Reads

The Analyst

Accurate and reliable bacterial identification at the genus and species levels is essential for effective clinical diagnostics. Pathogens such as Clostridium perfringens, Bacillus cereus, Clostridioides difficile, and Paraclostridium sordellii pose...


Exploring Correlation in Infrared Spectroscopy

March 2025

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38 Reads

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1 Citation

Vibrational Spectroscopy

Using theoretical and experimental transmission, transflection, and attenuated total reflection (ATR) spectra, we investigated how well corresponding absorbance spectra correlate with true absorbance, defined as the absorption index function multiplied by the wavenumber, using poly(methyl methacrylate) layers on CaF2, Si, and gold substrates. To improve correlation, the substrate spectrum is often subtracted from the sample spectrum. A typical example is layers on CaF2, where this approach is sufficient to establish a strong linear correlation. However, in many cases, the substrate spectrum is not a suitable reference for removing unwanted physical contributions, such as substrate-related effects. One such example is layers on Si substrates, where high reflectance causes the spectrum to be dominated by interference fringes. Instead of using the spectrum of an uncoated substrate, one must use the spectrum of a substrate with a non-absorbing layer that has the same refractive index in the transparency region between the MIR and visible spectral regions. For ATR spectra, a simple multiplicative correction based on the wavelength dependence of the penetration depth significantly increases the Pearson coefficient, though not to levels high enough for spectral recognition. To achieve higher accuracy, the Poor Man’s ATR Correction can be employed. For transflection spectra, all relatively simple methods generally fail, and only methods that ultimately determine the optical constant function show promise for success.


Attenuated growth factor signaling during cell death initiation sensitizes membranes towards peroxidation

February 2025

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170 Reads

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1 Citation

Cell death programs such as apoptosis and ferroptosis are associated with aberrant redox homeostasis linked to lipid metabolism and membrane function. Evidence for cross-talk between these programs is emerging. Here, we show that cytotoxic stress channels polyunsaturated fatty acids via lysophospholipid acyltransferase 12 into phospholipids that become susceptible to peroxidation under additional redox stress. This reprogramming is associated with altered acyl-CoA synthetase isoenzyme expression and caused by a decrease in growth factor receptor tyrosine kinase (RTK)-phosphatidylinositol-3-kinase signaling, resulting in suppressed fatty acid biosynthesis, for specific stressors via impaired Akt-SREBP1 activation. The reduced availability of de novo synthesized fatty acids favors the channeling of polyunsaturated fatty acids into phospholipids. Growth factor withdrawal by serum starvation mimics this phenotype, whereas RTK ligands counteract it. We conclude that attenuated RTK signaling during cell death initiation increases cells’ susceptibility to oxidative membrane damage at the interface of apoptosis and alternative cell death programs.


Surface-Enhanced Raman Spectroscopy for Biomedical Applications: Recent Advances and Future Challenges

February 2025

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399 Reads

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3 Citations

ACS Applied Materials & Interfaces

The year of 2024 marks the 50th anniversary of the discovery of surface-enhanced Raman spectroscopy (SERS). Over recent years, SERS has experienced rapid development and become a critical tool in biomedicine with its unparalleled sensitivity and molecular specificity. This review summarizes the advancements and challenges in SERS substrates, nanotags, instrumentation, and spectral analysis for biomedical applications. We highlight the key developments in colloidal and solid SERS substrates, with an emphasis on surface chemistry, hotspot design, and 3D hydrogel plasmonic architectures. Additionally, we introduce recent innovations in SERS nanotags, including those with interior gaps, orthogonal Raman reporters, and near-infrared-II-responsive properties, along with biomimetic coatings. Emerging technologies such as optical tweezers, plasmonic nanopores, and wearable sensors have expanded SERS capabilities for single-cell and single-molecule analysis. Advances in spectral analysis, including signal digitalization, denoising and deep learning algorithms, have improved the quantification of complex biological data. Finally, this review discusses SERS biomedical applications in nucleic acid detection, protein characterization, metabolite analysis, single-cell monitoring and in vivo deep Raman spectroscopy, emphasizing its potential for liquid biopsy, metabolic phenotyping, and extracellular vesicle diagnostics. The review concludes with a perspective on clinical translation of SERS, addressing commercialization potentials and the challenges in deep tissue in vivo sensing and imaging.


4D-Spatiotemporal SHG Imaging for the Analysis of Drug-Induced Changes in the Dura Mater

February 2025

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23 Reads

Analytical Chemistry

The spatiotemporal assessment of tissue dynamics after the introduction of disruptive factors is crucial for evaluating their impact and for developing effective countermeasures. Here, we report a 4D-spatiotemporal imaging approach using second harmonic generation (SHG) imaging microscopy, enabling an advanced time-resolved analysis of three-dimensional tissue features. This is of particular interest as topical administration of drugs during spinal surgeries is a standard practice for preventing and treating postoperative complications like infections. Local drug concentrations on tissue are high in these scenarios, and given the dura’s role as a protective barrier for the brain and spinal cord, potential drug-induced damage should be evaluated critically. By employing 4D-SHG imaging, we gained detailed insights into changes in dimensional properties of thin section samples, namely, width, height, and volume, as well as into alterations within the hierarchic structure of collagen. The latter thereby allowed us to postulate a mode of action, which we attributed for the herein investigated samples to the pH of the formulation.


Understanding and Employing (Non-)Linearities in Attenuated Total Reflection Spectroscopy

February 2025

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33 Reads

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1 Citation

Applied Spectroscopy

When Beer's law is interpreted through electromagnetic theory, it becomes clear that assuming a linear relationship between molar concentration and the imaginary part of the dielectric function is more accurate than using the absorption index function. A similar relationship holds true for attenuated total reflection (ATR) absorbance. When the negative logarithm of the reflectance is expanded into a series and truncated after the linear term, the approximation proves more accurate when based on the imaginary part of the dielectric function. Moreover, ATR correction schemes that utilize the low absorption approximation or the Bertie–Eysel formalism with this imaginary part, rather than the absorption index, tend to converge more quickly and provide more accurate results, particularly for stronger oscillators across an extended range of oscillator strength. Therefore, correction schemes for ATR spectra should prioritize the imaginary part of the dielectric function rather than the absorption index function when analyzing scalar and isotropic media.


Citations (46)


... [18][19][20][21][22][23] Each of these techniques-transmission, transflection, and ATR-offers unique advantages and poses specific challenges. 24 In contrast to transmission spectroscopy, ATR spectroscopy can be applied to thick samples with no appreciable transmission and does not suffer, unlike in particular transflection spectroscopy, from interference effects. Yet, ATR absorbance often deviates significantly from transmission absorbance, even after the latter is corrected for potential interference effects, leading to incompatibility between spectral libraries of transmission and ATR spectra. ...

Reference:

A Simplified, Effective Atr Correction Method for Spectral Identification
Exploring Correlation in Infrared Spectroscopy
  • Citing Article
  • March 2025

Vibrational Spectroscopy

... To identify the cell death program, the apoptosis inhibitor Q-VD-OPh (50 µM, Merck) and the ferroptosis inhibitor ferrostatin-1 (10 µM, Cayman Chemicals, Ann Arbor, MI) were added to the medium 2 h before treatment with the cytotoxic compounds. The concentrations of Q-VD-OPh and ferrostatin-1 were chosen based on commonly applied ranges reported in the literature [28,29] and were further optimized in preliminary experiments using the apoptosis inducers etoposide and staurosporine, as well as the ferroptosis inducer RSL3, to ensure suppression of apoptosis and ferroptosis, respectively. The final vehicle (DMSO) concentration was adjusted to 0.5% (IC 50 values) and 1% (inhibitor studies). ...

Attenuated growth factor signaling during cell death initiation sensitizes membranes towards peroxidation

... 14 These techniques include transmission measurements on films with various substrates, 15,16 transflection measurements on films on reflective surfaces like gold, 17 and Attenuated Total Reflectance (ATR) measurements. [18][19][20][21][22][23] Each of these techniques-transmission, transflection, and ATR-offers unique advantages and poses specific challenges. 24 In contrast to transmission spectroscopy, ATR spectroscopy can be applied to thick samples with no appreciable transmission and does not suffer, unlike in particular transflection spectroscopy, from interference effects. ...

Understanding and Employing (Non-)Linearities in Attenuated Total Reflection Spectroscopy
  • Citing Article
  • February 2025

Applied Spectroscopy

... Fleischmann et al. first observed the SERS spectrum on a rough Ag electrode, though they mistakenly attributed the enhancement to an increase in the surface adsorption area [22]. Yi et al. found a significant enhancement effect of SERS, however, their interpretation of the origin of this great enhancement is still wrong [23]. The LSPR mechanism based on free electron-like metals was independently proposed by Moskovits [24] and Creighton et al. [25] in 1978. ...

Surface-enhanced Raman spectroscopy: a half-century historical perspective

Chemical Society Reviews

... Twelve marine toxins with different types of effects on hNav1.1 were tested in this study, yielding satisfactory results and offering a new option for marine toxin detection. Current methods for detecting marine toxin primarily include toxicity-based assays, such as mouse bioassays [61], cytotoxicity analysis [62], and receptor-target binding analysis [63], as well as structure-based methods like enzyme-linked immunosorbent assay (ELISA) [64], liquid chromatography-mass spectrometry (LC-MS) [65], and aptamer-based methods [66]. While toxicity-based assays, such as mouse bioassays and cytotoxicity tests, reflect the overall toxic effects of compounds, they do not clarify the mechanism and have long experimental durations. ...

Design of a Duplex-to-Complex Structure-Switching Approach for the Homogeneous Determination of Marine Biotoxins in Water

... These materials, such as graphene [76] and molybdenum disulfide (MoS 2 ) [77], with their ultra-high surface area and specific molecular interactions, are thus poised to play a pivotal role in advancing the field of biosensing, providing robust technical support for early disease diagnosis, personalized medicine, and the monitoring of drug efficacy in the context of pharmaceutical research and development. By refining sensor architecture and experimental protocols, detection limits for these materials have reached the picomolar and even femtomolar levels, surpassing the performance of traditional detection methodologies [78][79][80]. For instance, a research team developed an electrochemical sensing platform integrating molybdenum disulfide with carbon nanodots, achieving ultra-sensitive detection of salicylic acid, catechol, and resorcinol at trace levels [81]. ...

Design of an innovative aptasensor for the detection of chemotherapeutic drug Fludarabine phosphate

... 16,19 To connect these equations with ATR absorbance, we develop the natural logarithm of the reflectance for both sand p-polarized light into a series, an approach originally proposed by Hansen, 1 which we have recently enhanced with a more appropriate version of Fresnel's equations. 20 This refinement reveals that it is beneficial to formulate the logarithm of the reflectance using the real part of n 2 21 − sin 2 α , wheren 21 =ˆn 2 n 1 = ε 21 √ n 1 . The coefficient of the linear term in the series development still depends on ε ′′ ...

Developing Correction Methods by Revisiting the Concept of Effective Thickness in Attenuated Total Reflection Spectroscopy
  • Citing Article
  • October 2024

Applied Spectroscopy

... The blood-based samples for the original publication [1] were purchased from the Institut für Klinische Transfusionsmedizin Jena gGmbH (Jena, Germany). Thus, no ethics approval and informed consent are needed. ...

SERS-Driven Ceftriaxone Detection in Blood Plasma: A Protein Precipitation Approach

... To enhance reliability, it is advantageous to conduct a series of measurements with varying conditions such as polarizations and angles of incidence. 24 Before we conclude this discussion, we wish to highlight two additional points that are crucial for understanding the context of this paper. First, for readers familiar with band fitting, the idea of multiplying the absorption index function by the refractive index function to better approximate ATR absorbance might seem unusual, depending on their theoretical background. ...

Combining Infrared Refraction and Attenuated Total Reflection Spectroscopy
  • Citing Article
  • October 2024

Applied Spectroscopy

... These nanostructures can be tailored into various shapes and sizes allowing their properties to be modified. Moreover, they can be deposited on solid supports, using various bottom-up approaches, to prepare solid SERS substrates [49]. ...

Recent advances of surface enhanced Raman spectroscopy (SERS) in optical biosensing
  • Citing Article
  • October 2024

TrAC Trends in Analytical Chemistry