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Vibrational spectroscopy (mid-infrared (IR) and Raman) and its fingerprinting capabilities offer rapid, high-throughput, and non-destructive analysis of a wide range of sample types producing a characteristic chemical "fingerprint" with a unique signature profile. Nuclear magnetic resonance (NMR) spectroscopy and an array of mass spectrometry (MS) techniques provide selectivity and specificity for screening metabolites, but demand costly instrumentation, complex sample pretreatment, are labor-intensive, require well-trained technicians to operate the instrumentation, and are less amenable for implementation in clinics. The potential for vibration spectroscopy techniques to be brought to the bedside gives hope for huge cost savings and potential revolutionary advances in diagnostics in the clinic. We discuss the utilization of current vibrational spectroscopy methodologies on biologic samples as an avenue towards rapid cost saving diagnostics.
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http://dx.doi.org/10.3390/molecules25204725 | DOI Listing |
Anal Chem
September 2025
Department of Laboratory Medicine, Fujian Medical University, Fuzhou 350004, China.
Acute lymphoblastic leukemia (ALL) is the most common hematologic malignancy in children. Current clinical diagnosis primarily relies on invasive detection methods, while molecular subtyping remains a complex and time-consuming process. This study innovatively employed silver nanoparticle-based surface-enhanced Raman spectroscopy (SERS) technology to systematically analyze 116 serum samples, including those with breakpoint cluster region-Abelson (-) fusion genotype, mixed-lineage leukemia (, also known as lysine methyltransferase 2A, ) gene rearrangement subtype, T-lymphoblastic ALL, and healthy controls.
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2025
The Extreme Light Infrastructure ERIC, ELI Beamlines Facility, Za Radnicí 835, Dolní Břežany, Czech Republic.
The significance of carotenoids in biological systems cannot be overstated. Their functionality largely arises from unique excited-state dynamics, where photon absorption promotes the molecule to the optically allowed 1B+u state (conventionally S), which rapidly decays to the optically forbidden 2A-g state (S). While the vibrational signature of the S state is well established, that of the initial S state has remained elusive.
View Article and Find Full Text PDFJ Phys Chem Lett
September 2025
School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, U.K.
The electron-deficient oxidant 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) has recently emerged as a promising visible-light photoredox catalyst. However, its excited-state behavior remains poorly understood. Here, we investigate the ultrafast dynamics of photoexcited DDQ in acetonitrile using transient electronic and infrared absorption spectroscopy, supported by quantum chemical calculations.
View Article and Find Full Text PDFJ Phys Chem Lett
September 2025
Center for Science at Extreme Conditions (CSEC) and the School of Physics and Astronomy, The University of Edinburgh, EH9 3JZ Edinburgh, United Kingdom.
Through high-pressure diamond anvil cell experiments, we report the synthesis of two novel potassium superhydrides (KH-I and KH-II) and investigate their structural and vibrational properties via synchrotron X-ray powder diffraction and Raman spectroscopy, complemented by density functional theory (DFT) calculations. Above 17 GPa at room temperature, KH-II and H react to form KH-I; this reaction can be accelerated with temperature. KH-I possesses a face-centered-cubic () potassium sublattice with a slight rhombohedral distortion (space group 3̅).
View Article and Find Full Text PDFAnal Chem
September 2025
Department of Bioengineering, University of Illinois Urbana-Champaign, Urbana, Illinois 61801, United States.
Infrared (IR) spectroscopic imaging combines the molecular specificity of vibrational spectroscopy with imaging capabilities of microscopy, potentially allowing for simultaneous quantitative observations of drugs and cellular response. However, accurately quantifying drug concentration within changing cells is complicated by the overlap between exogenous molecules' and native cellular spectra. Here, we address this challenge by developing a derivative of the widely used chemotherapeutic doxorubicin as a spectral bioprobe (DOX-IR) using a strongly absorbing metal-carbonyl moiety [(Cp)Fe(CO)].
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