Application of Raman and ATR-MIR Spectroscopy in Colorectal Cancer Diagnosis Combined with Chemometrics Techniques: A Review.
Critical Reviews in Analytical Chemistry, 1–22.
https://doi.org/10.1080/10408347.2025.2587780
#infrared #atrir #coloncancer #cancer #review
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Application of Raman and ATR-MIR Spectroscopy in Colorectal Cancer Diagnosis Combined with Chemometrics Techniques: A Review
Colorectal Cancer (CC) is recognized as the third most prevalent cancer worldwide and constitutes a major cause of cancer-related fatalities among both genders. Current diagnostic approaches for CC...
Espectroscopia biofototérmica e óptica para o estudo de
Formulações farmacêuticas e materiais para odontologia.
Monique de Souza
http://www.pfi.uem.br/wp-content/uploads/2025/09/Tese-Monique-de-Souza.pdf in Portuguese
#infrared #photothermal #atrir #ramaneffect #openaccess
ATR-FTIR and multivariate analysis for differential diagnosis of dengue and leptospirosis: a feasibility study.
Scientific Reports volume 15, Article number: 34092 (2025)
https://doi.org/10.1038/s41598-025-14594-9
#infrared #atrir #dengue #openaccess
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Calculation, simulation, and experimental analysis of distorted and enhanced spectra from attenuated total reflection (ATR).
Rui Cheng, PhD thesis
University of Bremen
https://doi.org/10.26092/elib/3634
#thesis #infrared #atrir #openaccess
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Calculation, simulation, and experimental analysis of distorted and enhanced spectra from attenuated total reflection (ATR)
This doctoral thesis extensively investigates the principles, calculations, experiments, and simulations related to the distortion spectrum and surface-enhanced spectroscopy within the framework of attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR). The research encompasses four main aspects:
1. Based on Maxwell's equations, an in-depth exploration is conducted into the origins of spectral distortion with computations utilizing Snell's law. The combination of the established model with Fresnel’s equation yields simulation outcomes that align with the experimental spectral data. Correction of the distortion spectrum is realized through the application of the Kramers-Kronig (KK) transform and an algorithm resembling the Fourier transform (FT). The subsequent analysis challenges conventional understanding by revealing the blue shift associated with the degree of spectral distortion.
2. The study systematically introduces the transition from Fourier Transform (FT) methodologies to contemporary deep learning algorithms, particularly neural networks. Recognizing the intrinsic complexity of conventional correction methods, the investigation performs the classification and correction of distorted spectra using artificial neural network algorithms. Comparative assessments with traditional methods indicate that long short-term memory (LSTM) and Transformer models exhibit accelerated processing speeds and heightened batch correction capabilities.
3. Theoretical calculations for surface plasmon generation, accounting for the thickness of the thin layer, were conducted. The surface enhancement spectrum of Pd nanoparticles is demonstrated through the integration of theoretical calculations with experiments.
4. The thesis expounds on the principles of two-dimensional Fourier transform (2D FT) and provides an in-depth analysis of the classification and fundamental principles of two-dimensional infrared spectroscopy (2D IR). As a technique rooted in third-order nonlinear optical phenomena, 2D IR spectroscopy exhibits distortion and surface-enhanced spectroscopy characteristics similar to those observed in one-dimensional (1D) spectroscopy, particularly near the critical angle. Furthermore, due to the unique principles of 2D IR, it also demonstrates enhanced specificity at the Brewster angle. This thesis offers a comprehensive discussion and comparison of the similarities and differences between 1D and 2D surface-enhanced spectroscopy.
Fourier Transform Infrared Spectroscopy (FT-IR) Diamond Attenuated Total Reflection (ATR) Measurements: The Good, the Bad, and the (Really) Ugly
Applied Spectroscopy Practica. 2025;3(2).
https://doi.org/10.1177/27551857251336262#infrared #atrir #openaccess Follow us on Bluesky:
https://bsky.app/profile/clirspec.orgTowards a global model for Diabetic kidney disease screening using ATR-FTIR.
Microchemical Journal, available online 4 June 2025, 114193
https://doi.org/10.1016/j.microc.2025.114193
#infrared #atrir #diabetes #kidney #renal #openaccess
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Real-Time In Vivo Human Skin Testing Using a Handheld Fourier Transform Infrared Spectrometer with a Three-Bounce Two-Pass Attenuated Total Reflection Interface.
Applied Spectroscopy. 2024;79(3):404-412
https://doi.org/10.1177/00037028241298714
#infrared #atrir #skin #openaccess
Safe-by-Design Strategies for Intranasal Drug Delivery Systems: Machine and Deep Learning Solutions to Differentiate Epithelial Tissues via Attenuated Total Reflection Fourier Transform Infrared Spectroscopy.
ACS Pharmacol. Transl. Sci. 2025
https://doi.org/10.1021/acsptsci.4c00643#infrared #atrir #openaccessUnderstanding Advanced Attenuated Total Reflection Correction: The Low Absorbance Assumption.
Applied Spectroscopy. 2025;79(2):298-305.
https://doi.org/10.1177/00037028241268024#infrared #atrirRapid Identification of Clinically Relevant Candida spp. by I-dOne Software Using Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) Spectroscopy.
J. Fungi 2025, 11(1), 40;
https://doi.org/10.3390/jof11010040#infrared #atrir #openaccess
Rapid Identification of Clinically Relevant Candida spp. by I-dOne Software Using Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) Spectroscopy
Attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy is a spectrum-based technique that quantifies the absorption of infrared light by molecules present in the microbial cell. The aim of the present study was to evaluate the performance of the ATR-FTIR spectroscopic technique via I-dOne software (Version 2.0) compared with the MALDI-TOF MS in identifying Candida spp. Each infrared spectrum was compared with spectra stored in the software database. The updated version of the I-dOne software was used to analyze ATR-FTIR spectra. All Candida isolates 284/284 (100%) were classified correctly according to the genus. Overall species identification yielded 272/284 (95.8%) concordant identification results with MALDI-TOF MS. Additionally, all 79 isolates belonging to the Candida parapsilosis species complex were identified correctly to the species level with the updated version of the I-dOne software. Only 12 (4.2%) isolates were misidentified at the species level. The present study highlights the potential diagnostic performance of the I-dOne software with ATR-FTIR spectroscopic technique referral spectral database as a real alternative for routine identification of the most frequently isolated Candida spp.
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