Open research questions in Spectroscopy Techniques in Biomedical and Chemical Research
95 gap statements mined from Spectroscopy Techniques in Biomedical and Chemical Research papers in our 4.5M-paper local library, which holds 972 papers on the topic — drawn mostly from each paper's own stated research gap, future-work, challenge and limitation notes, and its abstract. The ones listed below are a selection still marked open; each names the study that raised it, with a DOI link where the paper has one.
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What the literature leaves open
Misclas- sifications were primarily limited to adenoma spectra labeled as mucosa (n = 28) or normal gland (n = 10), and occasional mucosa– dura mater overlap.
Biochemical and metabolic tissue discrimination using a dual-modality Raman-fluorescence endonasal spectroscopy probe for pituitary adenoma surgery · 2026 · DOICARS 5.0 x -1 2950 cm oil PMMA hCARS 100 200 300 Pixel # 69 Page 6 of 11 (a) 1.5 ) . m r o n ( y t i s n e t n I 1 0.5 0 (b) 1 ) . m r o n ( y t i s n e t n I 0.8 0.6 0.4 0.2 0 CARS 1.9 x oil 100 PS 200 Pixel # 300 Fig. 4 a Line cuts through a CARS (not shown) and a hCARS image (inserted image) along the white line with resonant signal from a poly(methyl methacrylate) (PMMA) bead (26.62 µm diameter) and
A multi-factor improvement strategy for heterodyne coherent anti-Stokes Raman scattering · 2026 · DOIIn summary, the use of Raman spectroscopy in conjunction with AI algorithms represents a significant breakthrough in the field of PD diagnostics. Despite the abundance of scientific evidence confirming the utility of this approach, there remain considerable challenges to overcome before clinical implementation. However, with continuous progress in technology, Raman-AI systems are expected to become a staple of next-generation neurodiagnostic platforms.
The Role of Raman Spectroscopy and Artificial Intelligence in Pathophysiological Mechanisms and Diagnostic Advancements in Parkinson’s Disease · 2026 · DOIDirect comparison of the performance of WMIRS and WERS is hampered by the different tasks to which they have been applied and the imbalance in the development of mate- rials and devices in the MIR compared with the NIR/VIS, as reflected in the level of research activity on these topics. WMIR spectroscopy is well-suited to environmental moni- toring of gases, especially if waveguide propagation losses and those due to water adsorption can be further reduced. These applications have the advantage of not requiring chip disposal between each measurement, allowing for more costly Trends in vibrational spectroscopy on optical waveguides chips and more permanent interfacing. WMIR measurements in biochemical applications suffer from the complexity of the molecules targeted and the (usually aqueous) matrix, which is likely to require drying and/or significant sample pre-treat- ment. Nonetheless, the success of conventional ATR-FTIR in combination with ML, for example in cancer diagnostics [50], bodes well for WMIRS if chip interchangeability (for dispos- ability) is simplified, if sample pre-treatment is minimised and integrated and, ideally, with enhanced ML explainability. Raman spectroscopy has the benefit of emission frequen- cies separated from the excitation frequency, providing a noise advantage, and SERS can also offer well-developed biochemical assay protocols to WERS. While an aqueous matrix poses little problem for WERS, matrix and molecular complexity is still an issue, but strong progress on SERS has shown that appropriate labelling with Raman reporters, for example, can yield high performance and mitigate surface variability, approaches which could be transferred to WERS (with or without plasmonics) at the cost of the elusive label- free operation. Alternatively, AI/ML-assisted approaches may achieve good performance without labelling [51]. For both WMIRS and WERS, most demonstrations have used much-simplified model chemical systems. This was important to establish the photonic technologies, but now that the devices are reasonably advanced, collaborative research with application specialists and users, particularly in biomedical fields, should be accelerated to establish real applicability and determine fields where the greater com- plexity of using these devices is surmounted by their promise of improved functionality, performance, robustness, com- pactness or cost. The recent establishment of start-up compa- nies in WERS, in particular, should meet some of this need and emphasises the more advanced stage of this technology. Acknowledgements JSW gratefully acknowledges several years of very fruitful collaboration with Prof. Dr. Günter Gauglitz and benefited greatly from his erudition and guidance. Author contribution Both authors contributed equally to this paper. Funding This work was supported by the UK Engineering and Physi- cal Sciences Research Council (EPSRC) (EP/R0011230/1 and EP/ V047663/1).
This may be valuable for model developers, particularly when comparing architectures, but it remains unclear how best to aggregate instance-level counterfactual explanations into class-wise explanations that are useful to clinicians. Whether this is applicable to vibrational spectra is an open question. SHAP also iden- tified relevant peaks but gave more diffuse attributions, and Grad-CAM was limited by the spatial resolution of the final convolutional layer.
Causal responsibility based explainable AI for vibrational spectroscopy applied to oral FTIR and oesophageal Raman diagnostics · 2026 · DOIAlthough the causal direction between these shifts remains to be fully elucidated, their consistent coupling highlights the integration of molecular heterogeneity.
The second problem is the lack of standardization for collecting, processing, and extracting features from Raman spectra.
The Role of Raman Spectroscopy and Artificial Intelligence in Pathophysiological Mechanisms and Diagnostic Advancements in Parkinson’s Disease · 2026 · DOIWhether this signal retains discrimination across post-transplant time horizons and rejection-phenotype-defined endpoints remains unclear.
Evaluation of a Pre-Transplant Serum FTIR Rejection-Risk Score Across Time Horizons and Rejection Phenotype-Defined Endpoints in Kidney Transplantation · 2026 · DOIHowever, clinical translation remains limited by the need to balance Raman signal strength with laser safety constraints.
Optimizing spatially offset Raman spectroscopy designs: balancing signal and safety in biomedical applications · 2026 · DOIHowever, fundamental understanding of quantum photonic state transport in complex, real media, and tools to interpret the state after interaction with the sample are still lacking.
Bridging Classical and Quantum Approaches for Quantitative Sensing of Turbid Media with Polarization‐Entangled Photons · 2026 · DOIA specific diagnostic strategy is currently lacking and highlights the need of a robust diagnostic method for effective treatment.
Multiclass Diagnostic Improvement of Interstitial Cystitis (IC) and Overactive Bladder (OAB) via Machine Learning Pipeline on Surface-Enhanced Raman Spectroscopy (SERS) · 2026 · DOIFresh, 'wet', blood samples, that might provide faster results, have not been investigated.
Patterns of disease and therapeutic responses vary widely among patients with autoimmune glomerulonephritis.
Developing a Label-Free Infrared Spectroscopic Analysis with Chemometrics and Computational Enhancement for Assessing Lupus Nephritis Activity · 2025 · DOIPrincipal component analysis (PCA) results of their spectra showed substantial overlap that is insufficient for clustering.
Direct feature identification from Raman spectra and precise data-driven classification of phytopathogens at single conidium-species level · 2025 · DOIMeningioma, the most prevalent brain tumor, poses significant challenges due to its unclear transition from low-grade to aggressive forms, with limited knowledge about grade-specific markers.
Serum Metabolomics Profiling Coupled with Machine Learning Identifies Potential Diagnostic and Prognostic Candidate Markers in Meningioma Using Raman Spectroscopy, ATR-FTIR, and LC–MS/MS · 2025 · DOIUnlike state-of-the-art deep learning techniques that require large datasets, our method excels with limited data, making it ideal for real-world scenarios with constrained sample sizes.
Sparse coding-based multiframe superresolution for efficient synchrotron radiation microspectroscopy · 2025 · DOIOwing to the optical time-domain reflection (OTDR) positioning principle and pulse-broadening effects, the sensing spatial resolution of existing schemes working at kilometer-level distances is limited to the order of meters.
High Spatial Resolution Raman Distributed Optical Fiber Sensing Using Self-Pulse Time-Domain Delay Differential Demodulation · 2025 · DOIOßmann, Microplastics in drinking water? Present state of knowledge and open questions.
Our findings highlight the model’s ability to generalize to new clas- ses and handle limited data scenarios effectively.
Siamese Networks for Clinically Relevant Bacteria Classification Based on Raman Spectroscopy · 2024 · DOIAbstract The sensitivity of molecular spectroscopy based on surface‐enhanced coherent anti‐Stokes Raman scattering (SECARS) is limited by the spectrally overlapping background from nonresonant four‐wave mixing (FWM).
Tracing the Background‐Suppressed Vibrational Decay Time of a Molecular Monolayer with Time‐Resolved Surface‐Enhanced Broadband Coherent Anti‐Stokes Raman Scattering · 2024 · DOIHowever, the effective application of Wiener deconvolution in optical frequency-domain reflectometry (OFDR) systems has not yet been reported.
High Spatial Resolution Optical Frequency-Domain Reflectometry Using Wiener Deconvolution · 2024 · DOIFurther studies are needed to systematically evaluate and minimize the potential biological impacts of Raman tags, - future research should focus on advancing the sensitivity and versatility of SRS microscopy, - future research should explore the application of SRS microscopy to new fields and domains
Stimulated Raman scattering microscopy: fundamentals, instrumentation, and chemical imaging applications · 2026 · DOIThere is a need for a review of the fundamentals of Raman spectroscopy and SRS microscopy, - there is a need for a presentation of the architecture of modern SRS instruments, - there is a need for a discussion of the potential of SRS microscopy for label-free metabolic imaging and bioorthogonal Raman tagging
Stimulated Raman scattering microscopy: fundamentals, instrumentation, and chemical imaging applications · 2026 · DOIFurther development of SERS substrates based on magnetic-plasmonic composite nanomaterials. Exploration of the application of SERS for non-invasive cancer detection using other biological samples. Investigation of the potential of SERS for circulating tumor DNA (ctDNA) detection in clinical settings.
Research progress of surface-enhanced Raman scattering technology in tumor liquid biopsy · 2026 · DOIThe stability and reproducibility of SERS signals are limited by the substrate material and measurement conditions. The complex matrix effects and non-specific adsorption in biological samples may lead to an increase in signal noise.
Research progress of surface-enhanced Raman scattering technology in tumor liquid biopsy · 2026 · DOI
Most-cited papers in Spectroscopy Techniques in Biomedical and Chemical Research
- A Comprehensive Review on Raman Spectroscopy Applications · Chemosensors · 2021 · 427 citations
- Single test-based diagnosis of multiple cancer types using Exosome-SERS-AI for early stage cancers · Nature Communications · 2023 · 392 citations
- Rapid single-particle chemical imaging of nanoplastics by SRS microscopy · Proceedings of the National Academy of Sciences · 2024 · 376 citations
- Chemometric analysis in Raman spectroscopy from experimental design to machine learning–based modeling · Nature Protocols · 2021 · 346 citations
- Quantum-enhanced nonlinear microscopy · Nature · 2021 · 335 citations
- Raman spectroscopy in cell biology and microbiology · Journal of Raman Spectroscopy · 2021 · 302 citations
- Rapid, label-free histopathological diagnosis of liver cancer based on Raman spectroscopy and deep learning · Nature Communications · 2023 · 251 citations
- Recent Progresses in Machine Learning Assisted Raman Spectroscopy · Advanced Optical Materials · 2023 · 234 citations
- Forensic and homeland security applications of modern portable Raman spectroscopy · Forensic Science International · 2010 · 223 citations
- Application of Raman Spectroscopic Methods in Food Safety: A Review · Biosensors · 2021 · 211 citations
Most recent work
- Recent Advances in Raman Spectral Classification with Machine Learning · Sensors · 2026
- Quantitative Surface-Enhanced Raman Spectroscopy: Challenges, Strategies, and Prospects · Molecules · 2026
- Trends in Vibrational Spectroscopy: NIRS and Raman Techniques for Health and Food Safety Control · Sensors · 2026
- Super-broadband stimulated Raman scattering spectroscopy and imaging · Nature Photonics · 2026
- Spectroscopic Active Probes for Investigation of Lipid Transformation in Cells and Membranes · The Journal of Physical Chemistry B · 2026
- Lipids Contribute to Heterochromatin Condensation Revealed by Quantitative Raman–Brillouin Microscopy · JACS Au · 2026
- Application of surface-enhanced Raman spectroscopy in the diagnosis and treatment of breast cancer · Frontiers in Medicine · 2026
- Seeing the chemistry of biomolecular condensates: in situ mapping of composition and water content · bioRxiv · 2026
- Overview of recent advances of Raman spectroscopy in molecular medicine · TrAC Trends in Analytical Chemistry · 2026
- RamEx: an R package for high-throughput microbial ramanome analyses with accurate quality assessment · Microbiome · 2026
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