Temperature-driven reorganization of hydrogen bond in astaxanthin studied by moving-window two-dimensional correlation Raman spectroscopy and DFT simulation.

Confusion between Raman spectrum and luminescence: a case study of Eu3+ in Cs2NaEuCl6

This systematic review explores the application of Raman spectroscopy (RS) in traumatic brain injury (TBI) research, emphasizing the need for innovative and efficient diagnostic tools. The development of such techniques aims to alleviate healthcare costs while providing timely assessment of injury severity. A systematic literature search for the use of RS in TBI was conducted in PubMed, Scopus, and Web of Science from inception to July 28, 2025, following PRISMA guidelines. We included only original English-language studies (animals and humans) in free full-text format. Risk of bias was assessed using specific tools for both animal and human models. Findings were classified according to the cohorts, and spectroscopic technique alongside their particularities. The initial search found 261 articles, with 26 studies meeting the inclusion criteria. Among them: 15 were animal studies and 11 translational/human-relevant studies. Among animal studies, 3 focused on in-situ monitoring and TBI classification, 2 on blast-induced models, 5 on blood biomarker analysis, 2 on retinal-based point-of-care diagnostics, and 3 on Raman microscopy. The translational research studies aimed to identify and validate TBI biomarkers for developing future diagnostic strategies in human patients. RS distinguished injured from control tissue through spectral changes reflecting protein and lipid alterations and differentiated lesion areas by revealing astrogliosis-related reorganization. Instantaneous in-situ RS devices achieved >92% accuracy in severity classification and detected biomarker-related molecular changes. Point-of-care RS platforms using lateral flow strips enabled rapid detection of specific TBI biomarkers (GFAP, NAA, NSE, S100B, UCH-L1), showing performance comparable to ELISA while offering faster, simpler, and cost-efficient testing.

Helix matrix-enhanced transformer model for high-accuracy Raman identification of biological products

Mechanism of grinding effects on coal hydrophobicity during ultra-low ash coal preparation: Raman spectroscopy-based evaluation.

• LGK974 has low solubility, limiting its pharmaceutical use. • βSBECD complexation improves LGK974 solubility. • Structural studies elucidated LGK974:βSBECD interactions. • NMR (1D and 2D) mapped LGK974 binding site in βSBECD. • Molecular modeling confirmed stable host–guest geometry via hydrophobic forces. The Wnt signaling pathway is a key regulator of cell proliferation and differentiation, and its dysregulation has been implicated in various malignancies. LGK974, a small-molecule PORCN inhibitor, has demonstrated potent antitumor activity in preclinical models but suffers from extremely low aqueous solubility, limiting its pharmaceutical development. In this study, we explored the inclusion complexation of LGK974 with sulfobutyl ether-β-cyclodextrin (βSBECD) as a strategy to enhance its solubility and structural stability. A combination of 1D and 2D NMR techniques (¹H NMR, COSY, HSQC, HMBC, NOESY), high-resolution diffusion-ordered spectroscopy (HR-DOSY), FTIR-ATR spectroscopy and Raman spectroscopy were employed to characterize the interaction between LGK974 and βSBECD. NOESY and HR-DOSY experiments confirmed spatial proximity and co-diffusion of both components, indicating successful inclusion. Raman spectroscopy, exploring a guest-specific spectral region (1500–1700 cm⁻¹), revealed shifts and intensity decreases of LGK974 bands upon complexation, highlighting concentration-dependent encapsulation effects. Molecular docking and dynamics simulations supported these findings, showing a stable host–guest geometry driven by hydrophobic interactions. Together, these results provide molecular-level evidence of LGK974 encapsulation by βSBECD and highlight cyclodextrin-based carriers as a promising platform to improve the formulation and therapeutic potential of hydrophobic Wnt inhibitors.

Microplastics ( < 40 µm) in commercial bottled drinking water from India: Advanced spectroscopic characterization, source attribution and human exposure risk

Altering the morphology of graphene aerogels through control of the gelation time and drying method

Synthesis of magnetite nanoparticles from steel iron oxide waste as a resource recovery strategy: An optimization and characterization study

• Glass-forming region in the system Ag 2 O-WO 3 -P 2 O 5 was determined. • Tungsten-phosphate glasses with only 10 mol% P 2 O 5 were prepared. • Glass color depends on the WO 3 content and optical basicity. • Raman and 31 P MAS NMR reflect transformation of phosphate network to tungstate phosphate network. • The shift of Raman band of W=O bonds vibration depends on the content of Ag + ions. Phosphate glasses from the ternary Ag 2 O–WO 3 –P 2 O 5 system were prepared and investigated. A total of 22 compositions were synthesized across five series, and their basic physical parameters were determined. The glass-forming region of the system was established, and glasses containing as little as 10 mol% P 2 O 5 were successfully obtained. The highest achievable Ag 2 O content in these ternary glasses was 60 mol%. The glass transition temperature (T g ) increased with WO 3 content, reaching a maximum of 500 °C for the 10Ag 2 O–50WO 3 –40P 2 O 5 composition. Structural characterization was performed using Raman spectroscopy and 31 P MAS NMR spectroscopy. In the series with constant P 2 O 5 content, 31 P MAS NMR spectra revealed that a reduction in Ag + concentration decreases the number of nonbridging oxygen atoms, while promoting the formation of W–O–P linkages. Both Raman and NMR data demonstrated that progressive incorporation of WO 3 induces depolymerization of the phosphate network and its transformation into a tungstate–phosphate framework, where isolated PO 4 units are incorporated into the disordered tungstate network via W–O–P bridges. Tungsten atoms are exclusively octahedrally coordinated, and with increasing WO 3 content, isolated WO 6 octahedra progressively connect into chains and clusters through W–O–W bridges.

Nitrogen-doped carbon nanotubes with enhanced capacitance for electrochemical applications

Nanoemulsion of coriander oil and Asparagus racemosus extract enhances immunity in Nile tilapia (Oreochromis niloticus).

The paper explores the synthesis, characterization, and photocatalytic activity of La 2 O 3 nanoparticles synthesized through the hydrothermal method at reaction temperatures of 150 °C and 200 °C, selected based on preliminary optimization and literature reports to balance nucleation, crystallinity enhancement, and defect suppression. XRD study validated the development of cubic phase La 2 O 3 with mean crystallite sizes of 17.36 nm and 20.21 nm, showing improved crystallinity with increasing temperature. Vibrational modes were observed by Raman spectroscopy, and a temperature dependent optical band gap shift was observed by the UV-Vis analysis, which is characteristic of the optical properties. It was revealed in morphological studies that the nanoparticles were rounded in shape and had sizes ranging between 52 and 60 nm. PL spectra demonstrated that higher synthesis temperatures reduced charge carrier recombination by minimizing structural defects, thereby improving optical performance. It was also found that La 2 O 3 nanoparticles obeyed the first-order kinetics in the degradation of methylene blue (MB) and rhodamine B (RhB) dyes since photocatalytic experiments were conducted. The efficiencies of the degradation in mercury light were 90.9% with MB and 85.2% with RhB, with rate constants of 1.39 x 10 - 2 min -1 and 1.08 x 10 -2 min -1 , respectively. The use of scavenger tests revealed that the primary reactive species are the hydroxyl radicals (OH) because the isopropyl alcohol had a significant impact on the photocatalytic activity, whereas EDTA and benzoquinone revealed the presence of minor roles of holes and superoxide radicals. These findings establish clear temperature, structure, and property performance relationships in La2O3 nanoparticles, demonstrating temperature-tunable bandgap engineering for optimized photocatalysis, making La 2 O 3 a promising photocatalyst for environmental remediation and advanced nanotechnology applications. • Hydrothermal temperature tunes La 2 O 3 crystallinity and defects • Bandgap narrowed from 5.01 eV to 4.79 eV at 200 °C • Reduced charge recombination confirmed by PL analysis • 90.9% MB and 85.2% RhB degradation achieved • Stable photocatalytic performance over five cycles

Niobium pentoxide addition to 3D printing resin-based composites.

The remineralization properties of two newly developed orthodontic primers.

Effects of mineral nutrition on the cuticle structure of Armadillidium vulgare.

Raman analysis of black carbon using artificial neural networks for emission source classification.

Feature-consistent cyclic domain adversarial network for unsupervised transfer diagnosis of the autoimmune disease IgG4-RD by Raman spectroscopy

• Wheat flour fraud risk is rising during global disruptions like the war in Ukraine. • Portable Raman and IR detected wheat flour adulteration with potato and corn flour. • IR had a 6.9% detection limit, while Raman showed a higher limit of 22.6%. • Portable vibrational spectroscopy offers rapid, non-destructive detection of flour fraud. Monitoring wheat flour fraud is vital, especially during global disruptions like the war in Ukraine, which heighten the risk of economically motivated adulteration. This study explores the use of portable Raman and infrared (IR) spectroscopy to detect wheat flour adulteration with potato and corn flour. Principal Component Analysis (PCA) revealed spectral differences, while Partial Least Squares Regression (PLSR) models quantified adulterant levels. Both techniques successfully identified adulteration, with typical errors of prediction for test samples of 4-5% for infrared and 8.7-10.6% for Raman spectroscopy. In addition, IR achieved a limit of detection (LOD) as low as 6.9% and Raman 22.6%. The findings highlight portable vibrational spectroscopy as a rapid, non-destructive tool for detecting flour fraud, supporting food quality control and regulatory enforcement

In situ assessment of unsaturated fatty acids using Raman spectroscopy in Yarrowia lipolytica