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The application of mineral medicine has a long history of thousands of years, and the processing of traditional Chinese medicine (TCM) is a unique pharmaceutical technology. However, the processing of most mineral medicines is still unclear and requires in-depth and systematic research. To achieve accurate identification of mineral medicines and elucidate their variation from a chemical perspective, two-trace two-dimensional (2T2D) correlation Raman spectroscopy was used. This is the first time that 2T2D correlation analysis has been used to elucidate the processing for TCM. Since the properties of mineral medicines change with processing (e.g., calcined and vinegar-quenched ochre), X-ray photoelectron spectroscopy, X-ray diffraction, and transmission electron microscopy were used as auxiliary tools to investigate and validate the Raman spectroscopy findings. Comparative analysis of the Raman spectra of ochre and its processed products revealed that the crystal structure and composition of the calcined ochre and vinegar-quenched ochre changed and that their purity improved. Based on these results, 2T2D correlation Raman spectroscopy method has excellent analytical performance, enables the rapid identification of mineral drugs and a deeper understanding of their processing. Our study also provides new concepts and methods for the quality detection of mineral drugs.
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http://dx.doi.org/10.1016/j.saa.2025.126166 | DOI Listing |
J Pharm Biomed Anal
November 2025
Department of Inorganic and Analytical Chemistry, Faculty of Pharmacy, Collegium Medicum in Bydgoszcz, Nicolaus Copernicus University in Toruń, Jurasza 2, Bydgoszcz 85-089, Poland. Electronic address:
The study presents the application of Energy-Dispersive X-ray Fluorescence (ED-XRF) and Attenuated Total Reflectance Fourier Transform Infrared Spectroscopy (ATR-FTIR) in analyzing the quality and variability of medicinal plants, with a focus on Scutellaria baicalensis (SB) roots. SB is widely used in medicine due to its pharmacological and biological properties. Therefore, an appropriate analytical approach is essential for determining its detailed composition.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
October 2025
Department of Chemistry, Institute for Molecular Science and Fusion Technology, Kangwon National University, Chuncheon 24341, Republic of Korea; Kangwon Radiation Convergence Research Support Center, Kangwon National University, Chuncheon 24341, Republic of Korea. Electronic address:
The application of mineral medicine has a long history of thousands of years, and the processing of traditional Chinese medicine (TCM) is a unique pharmaceutical technology. However, the processing of most mineral medicines is still unclear and requires in-depth and systematic research. To achieve accurate identification of mineral medicines and elucidate their variation from a chemical perspective, two-trace two-dimensional (2T2D) correlation Raman spectroscopy was used.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
September 2025
Hefei Cancer Hospital of CAS, Institute of Health and Medical Technology, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031, China. Electronic address:
Lung cancer remains one of the deadliest malignancies worldwide, highlighting the need for highly sensitive and minimally invasive early diagnostic methods. Near-infrared spectroscopy (NIRS) offers unique advantages in probing molecular vibrational information from blood, effectively capturing potential structural changes in haemoglobin (Hb) in lung cancer patients. In this study, we address the challenge of detecting subtle Hb features within the broader blood matrix and introduce an innovative two-stage spectral analysis framework.
View Article and Find Full Text PDFAppl Spectrosc
March 2025
Department of Chemistry, Institute for Molecular Science and Fusion Technology, and Kangwon Radiation Convergence Research Support Center, Kangwon National University, Chuncheon 24341, Korea.
The correlation filter (CF) technique is introduced as a versatile tool for data pretreatment to selectively attenuate interfering or overlapping signals of congested spectra. This technique leverages two-dimensional correlation spectroscopy (2D-COS) to create a filter multiplier that effectively addresses limitations inherent in traditional null-space projection (NSP) methods based on least-squares subtraction. We apply CF to the analysis of a model solution mixture system undergoing spontaneous evaporation, where volatile solvent concentrations change concurrently but at only slightly different rates.
View Article and Find Full Text PDFSpectrochim Acta A Mol Biomol Spectrosc
August 2025
Spectroscopy and Imaging, Leibniz Institute of Photonic Technology (IPHT), Jena, Germany; Institute of Physical Chemistry and Abbe Center of Photonics, Friedrich Schiller University, Jena, Germany.
Ultrathin nanofilms of siloxane derived from methyltrichlorosilane (MTCS) and 3-aminopropyltrimethoxysilane (APTMS) were formed on the surface of silicate glass and investigated using infrared specular reflectance (IR-SR) spectroscopy. To differentiate the spectral bands of the film from those of the glass substrate, two-trace two-dimensional correlation spectroscopy (2T2D-COS) was employed. The spectra analyzed were either IR-SR spectra of unmodified and surface-modified glass or reflectance-absorbance (RA) spectra, calculated from ratio-reflectance (RR) spectra.
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