Zhang Y, Sai Z, Wang H
… +3 more, Liu Z, Yang Y, Ge C
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42251772
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Hydrogen sulfide (H₂S) is a gaseous signaling molecule that plays critical roles in numerous physiological and pathological processes, including plant stress responses. Effective fluorescent probes for visualizing H₂S in...Hydrogen sulfide (H₂S) is a gaseous signaling molecule that plays critical roles in numerous physiological and pathological processes, including plant stress responses. Effective fluorescent probes for visualizing H₂S in complex biological and plant systems are still highly demanded. In this work, a novel fluorescent probe ZT was constructed using 4-nitrobenzofurazan as the recognition moiety. Upon reaction with H₂S via nucleophilic substitution, the probe displays a typical off-on fluorescence response. ZT possesses superior sensing performance including high anti-interference ability, ultrahigh sensitivity (LOD = 34 nM) and good biocompatibility, which enables reliable detection of trace H₂S in complex biological environments. The probe achieves real-time in-situ imaging of endogenous H₂S in onion epidermal cells, zebrafish larvae and mammalian living cells. Furthermore, it was applied to monitor H₂S dynamics in wheat seedlings exposed to heavy metal and salt stresses. This work presents a high-performance H₂S fluorescent probe with broad application prospects, and provides new clues for studying the regulatory mechanism of H₂S in plant abiotic stress resistance.
Huang SH, Lin XY, Lin SY
… +4 more, Yang ZQ, Huang KY, Chen W, Deng HH
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42251771
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Pyridoxal 5'-phosphate (PLP), the active coenzyme form of vitamin B, plays indispensable roles in multiple metabolic pathways, and its abnormal levels are closely related to a variety of diseases. Herein, we developed a...Pyridoxal 5'-phosphate (PLP), the active coenzyme form of vitamin B, plays indispensable roles in multiple metabolic pathways, and its abnormal levels are closely related to a variety of diseases. Herein, we developed a rapid and sensitive fluorescent sensing platform for PLP determination based on surface coordination engineering of 6-aza-2-thiothymine-stabilized gold nanoclusters (ATT-AuNCs) through a Sc-mediated competitive coordination strategy. Among 16 screened rare-earth ions, Sc exhibited the strongest fluorescence activation toward ATT-AuNCs, inducing an approximately 38-fold emission enhancement together with a pronounced bathochromic shift. These effects are attributable to Sc coordination to the N/O donor sites of the ATT ligands, which stabilizes an intramolecular charge-transfer (ICT) emissive state and restricts intramolecular motions, thereby suppressing nonradiative decay. In the presence of PLP, the phosphate oxygen donors competitively bind Sc, extracting it from the nanocluster surface and reversing the Sc-induced fluorescence enhancement in a concentration-dependent manner. Under optimized conditions, the proposed assay enabled PLP quantification over a linear range of 0.1-8 μM with a detection limit of 0.04 μM. The sensor also exhibited excellent reproducibility, good selectivity against vitamin B analogues and common coexisting species, and satisfactory recovery in spiked serum samples. This work presents a facile and reliable fluorescence-based strategy for PLP analysis and provides a versatile route to constructing nanocluster-based probes through coordination modulation regulated by hard Lewis acids.
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 May · PMID 42251001
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The pink-to-purple apatite from the Xuebaoding tungsten‑tin‑beryllium (W-Sn-Be) deposit in Sichuan, Southwest China, is of significant gemmological and geological interest owing to its distinctive coloration and typical...The pink-to-purple apatite from the Xuebaoding tungsten‑tin‑beryllium (W-Sn-Be) deposit in Sichuan, Southwest China, is of significant gemmological and geological interest owing to its distinctive coloration and typical tabular crystal habit. In this study, six apatite samples exhibiting a range of colors were systematically analyzed using a comprehensive suite of techniques, including Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS), electron paramagnetic resonance (EPR), ultraviolet-visible spectrophotometry (UV-Vis), photoluminescence (PL), and three-dimensional fluorescence spectroscopy. Our findings indicate that the pink hues of apatite are primarily determined by Mn d-d transitions, whereas purple tones arise from color centers associated with F vacancies. The Mn/Fe ratio shows a positive correlation with color saturation. Trace elements such as Nd, Sm, and Y collectively contribute to modulating the color saturation. XRD Rietveld refinement shows that the sample is apatite of relatively high purity, accompanied by a small amount of muscovite. Both FTIR and UV-Vis spectra jointly reveal marked anisotropy in absorption peak intensities relative to crystal orientation, which can provide a basis for crystal orientation. Fluorescence studies show that the blue-violet emission is dominated by the 5d → 4f transitions of Ce, the additional contributions from Dy. In the 620-750 nm range, Mn, Sm, and Pr synergistically induce pinkish-orange fluorescence. This study elucidates the color origins and luminescent behavior of pink-to-purple apatite from the Xuebaoding deposit.
Zheng T, Su YX, Cai Z
… +3 more, Yang RW, Zhang Y, Wei KJ
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 May · PMID 42250457
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The high-performance detection of hexavalent chromium (Cr, specifically CrO) poses significant challenges and holds great importance for in-situ inspection. Among the developed probes, strong oxidizing acid roots, especi...The high-performance detection of hexavalent chromium (Cr, specifically CrO) poses significant challenges and holds great importance for in-situ inspection. Among the developed probes, strong oxidizing acid roots, especially MnO and CrO, there is significant interference in the detection of CrO. In this study, a dual functional group fluorescent probe (SP) was constructed for the specific recognition of CrO based on redox reaction and chelation quenching fluorescence effect (CHQF). Moreover, SP showed excellent selectivity and sensitivity for CrO detection, the LOD = 7.08 × 10 M and a high binding constant (Ka = 4.53 × 10 M). The detection mechanism observation revealed that CrO was reduced to Cr, and Cr could coordinate with SP and accompanied by an electron transfer process. Rapid and efficient detection of CrO in actual water samples and plants used smartphones as an aid. To sum up, the detection system based on SP recognized identity of CrO within different application situations.
Luo W, Wang A, Tang F
… +4 more, Shu W, Sun X, Zhang Q, Xiao H
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42248013
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Herein, we have successfully synthesized a colorimetric and ratiometric fluorescent probe C-BF2 for biogenic amines through a specific reaction between β-diketone boron difluoride and amine. C-BF2 presents rapid response...Herein, we have successfully synthesized a colorimetric and ratiometric fluorescent probe C-BF2 for biogenic amines through a specific reaction between β-diketone boron difluoride and amine. C-BF2 presents rapid response, low limit of detection, excellent reversibility and significant color change. By incorporating C-BF2 into filter paper, we created a smart label capable of detecting gaseous biogenic amines through distinct absorption and fluorescence changes. Utilizing a smartphone and color-processing software, we established a correlation between food storage time and fluorescence color parameters (G/R) of the smart label. Importantly, the fluorescence color variations of label exhibited a linear quantitative relationship with total volatile basic nitrogen value of food, validating the accuracy and reliability in food monitoring. Furthermore, we verified the potential applications of C-BF2 as a fluorescent ink and fingerprint powder. This multipurpose detection platform is expected to provide new ideas for the field of biogenic amine detection, meat food safety monitoring, and utilization in fluorescent dyeing materials.
Wang H, Wen Y, Wang M
… +6 more, Li S, Huang H, Xiao Y, Zhang Y, He X, Wang K
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42248012
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A novel ultra-small dual-mode pyrenyl nanoprobe (PQL-B NPs, approximately 1.47 nm) was constructed for selective detection of HO using quaternized quinoline unit and boronate as mitochondrial targeting moiety and reactiv...A novel ultra-small dual-mode pyrenyl nanoprobe (PQL-B NPs, approximately 1.47 nm) was constructed for selective detection of HO using quaternized quinoline unit and boronate as mitochondrial targeting moiety and reactive recognition group, respectively. PQL-B NPs exhibit a distinct fluorescence shift from orange-red to bright blue after reacting with HO, accompanying a clear visible color change from yellow to colorless. In particular, this dual-mode sensing mechanism was confirmed by H NMR spectra and DFT calculations. The PQL-B NPs probe encapsulated with amphiphilic DSPE-mPEG-2000 possesses good biocompatibility, superior specificity, and satisfactory sensitivity (LOD, 0.59 μM) and has been successfully used to image hydrogen peroxide in living HeLa cells with excellent mitochondrial-targeting ability.
Kotowicz S, Małecki JG, Blonkowska W
… +4 more, Baranowska-Łączkowska A, Łączkowski KZ, Godzierz M, Schab-Balcerzak E
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42248011
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A series of six novel tetraphenylethylene (TPE)-based derivatives with an NH1,3-thiazole linker and donor or acceptor substituents were synthesized and comprehensively investigated to elucidate structure-photophysical pr...A series of six novel tetraphenylethylene (TPE)-based derivatives with an NH1,3-thiazole linker and donor or acceptor substituents were synthesized and comprehensively investigated to elucidate structure-photophysical property relationships in solution and in the solid state. All compounds exhibited good thermal stability (5% weight loss above 211 °C) and irreversible oxidation processes, with frontier molecular orbitals predominantly localized on the TPENH1,3-thiazole fragment. Steady-state absorption and emission spectroscopy studies in five solvents with different polarity and at low temperature in an ethanol:methanol mixture revealed pronounced solvent, temperature and rotation effects on the radiative and non-radiative emission pathways. Low quantum yields were observed in solutions, with significantly higher quantum yields in the solid state. Furthermore, host-guest systems based on selected materials dispersed in polymer matrices were evaluated, revealing the highest quantum yield in poly(methyl methacrylate) (PMMA), polyvinylpyrrolidone (PVP), and polystyrene (PS). Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations supported the experimental findings, providing insight into frontier molecular orbitals and excited-state characteristics. Analysis based on Marcus theory calculations suggested potentially favorable charge-transport characteristics, particularly for the nitro-substituted derivative, which exhibited low and well-balanced hole and electron reorganization energies. The combined spectroscopic and theoretical analysis demonstrates that subtle structural modifications significantly modulate excited-state deactivation pathways and solid-state emission, providing valuable insight into the design of future luminescent organic materials.
Zapanta MJ, Novelli F, Postelmans A
… +1 more, Saeys W
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42248010
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The interaction between sugar and water molecules strongly influences the structural and functional behavior of saccharides in biochemical environments. This study investigated the hydration behavior of lactose, the prim...The interaction between sugar and water molecules strongly influences the structural and functional behavior of saccharides in biochemical environments. This study investigated the hydration behavior of lactose, the primary sugar in milk, at millimolar concentrations representative of physiological conditions. High-intensity terahertz time-domain spectroscopy (HI-THz-TDS) was employed to measure the optical properties and dielectric functions of dilute lactose solutions. The spectrometer demonstrated high sensitivity to lactose, achieving a detection limit of 13 mM and resolving subtle hydration effects in the tens of millimolar range. The THz absorption response exhibited a negative deviation from two-component model predictions, indicating the presence of dynamically retarded hydration water distinct from the bulk water. Analysis of the dielectric response yielded a hydration number of 14 to 17, consistent with values obtained from complementary techniques. These results indicate that in dilute solutions, saccharide-induced perturbations to water dynamics are primarily governed by retardation within the first hydration shell, with no clear dominant contribution from long-range effects under the investigated conditions. This work demonstrates the capability of HI-THz-TDS to probe hydration at physiologically relevant mM concentrations and highlights the important role of concentration in modulating saccharide-water interactions.
Yang Y, Kuang D, Yan X
… +6 more, Zeng Z, Yu P, Gao X, Gao Y, Cheng D, Gong D
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 May · PMID 42248009
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In this study, the effects of magnoflorine (MAG) and lindoldhamine (LIN), firstly isolated from Cinnamomum camphora seed kernel (CCSK), on starch digestion enzymes inhibitory activities were investigated through multi-sp...In this study, the effects of magnoflorine (MAG) and lindoldhamine (LIN), firstly isolated from Cinnamomum camphora seed kernel (CCSK), on starch digestion enzymes inhibitory activities were investigated through multi-spectroscopic analysis and molecular dynamics simulation. The results showed that the alkaloid concentrate (AC) of CCSK effectively reduced starch hydrolysis by elevating the content of resistant starch and inhibiting starch digestion enzymes activities. In particular, MAG and LIN exhibited significantly stronger α-amylase and α-glucosidase inhibitory activities, with IC value of 0.17 mmol/L and 0.49 mmol/L, respectively. The inhibitory mechanism was clarified by employing the inhibition kinetics and multi-spectroscopy. The results showed that MAG/LIN inhibited the activity of α-amylase/α-glucosidase in a non-competitive and reversible mixed mode, accompanying by the changes in the polarity and hydrophobic environment around the amino acid residues. FT-IR spectra revealed that MAG/LIN interacted with the CO and NH groups of the α-amylase/α-glucosidase backbone. Molecular docking revealed that hydrogen bonds and hydrophobic interactions were primarily responsible for MAG/LIN binding to the active cavity of α-amylase/α-glucosidase, which hinder the entrance of the substrate leading to a decline in enzyme activity. Molecular dynamics simulations were then used to further explore the stability and dynamic behavior of the MAG/LIN-enzyme complexes. Moreover, MAG and LIN significantly improved the glucose consumption and glycogen content in IR-HepG2 cells. These findings provided valuable data to support the high-value utilization of CCSK in food, nutrition and healthcare.
Lu Y, Cao B, Wu W
… +5 more, Zhang T, Tian F, Zhou M, Deng C, Huang W
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42248008
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To achieve dual-function applications of high-sensitivity optical temperature measurement and anti-counterfeiting, a novel LaSnGaO: Er, Sm phosphor was successfully synthesized using high-temperature solid-state reaction...To achieve dual-function applications of high-sensitivity optical temperature measurement and anti-counterfeiting, a novel LaSnGaO: Er, Sm phosphor was successfully synthesized using high-temperature solid-state reaction. The structural characteristics, photoluminescence behavior, and energy transfer from Er to Sm were systematically studied. Tunable multicolor emission from green to orange-red was realized by adjusting Sm doping concentrations and excitation wavelengths. Temperature-dependent luminescence evaluated through the fluorescence intensity ratio method demonstrated a maximum relative sensitivity of 4.496% K at 298 K. Additionally, the excitation-dependent luminescence characteristics were successfully demonstrated in prototype anti-counterfeiting patterns. These outcomes indicate that LaSnGaO: Er, Sm is a promising dual-function material capable of both sensitive temperature detection and advanced optical anti-counterfeiting.
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42248007
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Circularly polarized luminescence (CPL) materials hold broad application prospects in chiral optoelectronic devices and other fields, and the precise regulation of aggregation morphologies to achieve CPL signal amplifica...Circularly polarized luminescence (CPL) materials hold broad application prospects in chiral optoelectronic devices and other fields, and the precise regulation of aggregation morphologies to achieve CPL signal amplification and inversion is a research priority in this field. In this study, two chiral alkyl chain-modified indolo[3,2-b]carbazole derivatives, ICZ-2S/R and 2HICZ-2S/R, were designed and synthesized. Their self-assembly behaviors were regulated via antisolvent-induced and interfacial assembly strategies, yielding aggregates with distinct micro-morphologies in the solution aggregate state and spin-coated film state. The derivatives exhibited only weak CPL signals in the solution aggregate state, while significant CPL signal amplification and sign inversion were realized in the spin-coated film state, with the CPL intensity of ICZ-2R being nearly 6 times higher than that in the solution state. Combined analyses of ICZ-2S single crystal revealed that the crystal-like long-range ordered mesoscopic helical packing driven by edge-to-face C-H···π interactions in the film is the core mechanism for its excellent chiroptical performance. This work provides an efficient morphology regulation strategy for modulating the CPL properties of chiral N-containing polycyclic π-conjugated molecules, and also offers important references for the design and development of high-performance tunable CPL materials.
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42248006
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In this work, we present a novel strategy for developing solid-state luminescence turn-on sensors by constructing indicator displacement assays (IDAs) within a covalent organic framework (COF) composed of 2,4,6-triformyl...In this work, we present a novel strategy for developing solid-state luminescence turn-on sensors by constructing indicator displacement assays (IDAs) within a covalent organic framework (COF) composed of 2,4,6-triformylphloroglucinol (Tp) and 5, 5'-diamino-2, 2'-bipyridine (Bpy) ligands. To illustrate our strategy, a robust electron-deficient COF was synthesized through the post-synthetic N-alkylation of its bipyridyl units. The cationic N-alkylated bipyridyl units served as receptors, while the fluorescent indicator, anionic 8-anilino-1-naphthalenesulfonate (ANS), was incorporated within the framework via anion exchange. The resulting host-guest hybrid exhibited negligible fluorescence due to the efficient electron donor-receptor charge-transfer (CT) quenching of the ANS indicators. Upon exposure to the strong electron-donating analyte triethylamine (TEA), the competitive CT interaction between the ANS indicators and TEA with the cationic bipyridyl receptors initiates the indicator displacement process, leading to the significant fluorescence activation of ANS. This rapid and sensitive fluorescence turn-on response in dioxane enables efficient detection of TE{Wang, 2020 #79}A with a limit of detection (LOD) of 0.95 nM. Moreover, practical applicability was demonstrated through the fabrication of test strips exhibiting visually observable solid-state fluorescence at TEA concentrations as low as 1 μM. This work presents the first demonstration of confining IDAs within COFs for solid-state luminescence turn-on sensing of TEA. It not only establishes a general approach for developing turn-on TEA sensors but also broadens the utility of COFs as versatile platforms for advanced sensing applications.
Yang H, Yang M, Hu F
… +7 more, Jiang M, Zhang L, Lin S, Zhi Z, Zhu W, Liu C, Li L
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 May · PMID 42248005
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A MIL-53(Al)-functionalized terahertz metasurface sensor was developed for the room-temperature detection of styrene, a potential volatile biomarker associated with lung cancer. The sensor combines the localized electrom...A MIL-53(Al)-functionalized terahertz metasurface sensor was developed for the room-temperature detection of styrene, a potential volatile biomarker associated with lung cancer. The sensor combines the localized electromagnetic field enhancement of the terahertz metasurface with the adsorption enrichment capability of MIL-53(Al). Benefiting from the flexible one-dimensional channels, the size-compatible pore environment of MIL-53(Al), and the possible π-π and host-guest interactions between styrene molecules and the terephthalate linkers, the functionalized metasurface exhibits an enhanced sensing response toward styrene. APTES was introduced as an interfacial coupling layer to improve the immobilization and dispersion of MIL-53(Al) nanocrystallites on the metasurface. SEM and FTIR characterizations confirmed the formation of a nanocrystallite-stacked MIL-53(Al) coating and the successful introduction of both APTES and MIL-53(Al) onto the sensor surface. The optimized sensor achieved a sensitivity of 0.37 GHz/ppm and a limit of detection of 1 ppm within the concentration range of 1-100 ppm. In addition, the sensor showed good selectivity against several interfering VOCs, as well as acceptable repeatability and stability. This work provides a feasible strategy for integrating flexible MOF adsorbents with terahertz metasurfaces, offering a potential platform for rapid, label-free, and room-temperature detection of trace aromatic VOCs.
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42248004
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In this work, we describe a highly responsive and selective spectrophotometric technique for measuring creatinine by utilizing gold nanoparticles functionalized with aminoadipic acid (AAA-AuNPs). The synergistic electros...In this work, we describe a highly responsive and selective spectrophotometric technique for measuring creatinine by utilizing gold nanoparticles functionalized with aminoadipic acid (AAA-AuNPs). The synergistic electrostatic interaction and hydrogen bonding between creatinine and the surface functionalized AAA-AuNPs control this sensing mechanism. This aggregation process results in a noticeable red shift of the localized surface plasmon resonance band from 522 nm to 620 nm, as well as a distinct color change from red to blue. Over the range of 1.5-25.0 nM, the absorbance response shows a greater linear association with creatinine concentration under ideal experimental circumstances. When compared to the traditional Jeffs approach, the method has an impressively low limit of detection of 1.49 nM, indicating nearly an order of magnitude increase in sensitivity. The sensing mechanism is further explained by density functional theory calculations, which show that the AAA-Au complex preferentially interacts with creatinine through NAu coordination accompanied by enhanced charge transfer orbital delocalization and reduces the energy gap between the highest and lowest occupied molecular orbitals in strong agreement with the experimental observations. Additionally, the examination of creatinine in artificial urine, human urine, and serum samples using this method produced outstanding results, indicating its potential as a trustworthy tool for clinical diagnostics.
Sidorov NV, Palatnikov MN, Skrabatun AV
… +1 more, Pyatyshev AY
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 May · PMID 42248003
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Raman scattering on the stretching vibrations of OH-groups in nonlinear optical crystals LiNbO:Tb(0.1, 0.48, and 2.21 wt%) with "subthreshold" terbium concentrations were recorded for the first time. It was found that th...Raman scattering on the stretching vibrations of OH-groups in nonlinear optical crystals LiNbO:Tb(0.1, 0.48, and 2.21 wt%) with "subthreshold" terbium concentrations were recorded for the first time. It was found that the frequencies of the lines in the IR absorption spectrum corresponding to the stretching vibrations of OH-groups in the studied LiNbO:Tb crystals do not coincide with the corresponding frequencies of the lines in the Raman scattering spectrum: the difference can exceed ≈40 cm. This phenomenon is explained by the fact that in photorefractive crystals LiNbO:Tb, under the influence of visible laser radiation, the resulting photoelectric fields are capable of changing the length of the weak OH hydrogen bond and, accordingly, the frequency of stretching vibrations. Photoelectric fields are not capable of exerting such a significant influence on covalent and electrostatic bonds in the heterodesmic LiNbO crystal, which are much stronger than hydrogen bonds (and, accordingly, on the frequencies of fundamental vibrations of the crystal lattice, located in the range of 100-900 cm).
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42248002
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A sensitive colorimetric detection toward tyrosinase activity was developed. Rod-shaped manganese-doped cerium oxide (Mn/CeO) nanozyme was synthesized via a simple hydrothermal process. This nanocomposite exhibited a per...A sensitive colorimetric detection toward tyrosinase activity was developed. Rod-shaped manganese-doped cerium oxide (Mn/CeO) nanozyme was synthesized via a simple hydrothermal process. This nanocomposite exhibited a peroxidase-like activity, effectively accelerating the conversion of a colorless chromogenic substrate TMB (3,3',5,5'-tetramethylbenzidine) into a blue product. It was found that a substrate for tyrosinase, catechol, significantly inhibited this catalysis and the subsequent color change. The further introduction of tyrosinase facilitated an oxidation of catechol into a benzoquinone product, thereby eliminating the inhibition and restoring the nanozyme's catalysis. This response presented a turn-on colorimetric signal toward tyrosinase in the range 1-3000 U/L, with a detection limit at 0.3 U/L. Furthermore, the proposed method was successfully applied to the analysis of practical samples.
Akyüz E, Balcı DM, Akkuş O
… +2 more, Tanrısev M, Güler G
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 May · PMID 42242153
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Analysis of dialysis fluid using Fourier transform infrared (FT-IR) spectroscopy was evaluated as a real-time approach for monitoring metabolic clearance during dialysis. Combined with absorbance and second-derivative sp...Analysis of dialysis fluid using Fourier transform infrared (FT-IR) spectroscopy was evaluated as a real-time approach for monitoring metabolic clearance during dialysis. Combined with absorbance and second-derivative spectral analysis, this method provides enhanced spectral resolution and reliable detection of key metabolites, including urea, creatinine, glucose, and sodium lactate. Metabolic clearance behavior was assessed through absorbance trends and intensity variations across selected spectral regions. The results demonstrated that FT-IR spectroscopy successfully differentiated these metabolites and effectively monitored the efficient removal of metabolites in real dialysis samples within a short time. Urea concentrations as low as 1-2 mg/mL (100-200 mg/dL) were detected using the absorption band at 1159 cm, attributed to the -NH₂ rocking vibrations. Compared with conventional analytical techniques, FT-IR offers a rapid, reagent-free alternative that requires no additional invasive procedures while keeping sample preparation to a minimum. The strong correlation between spectral changes and metabolic profiles highlights its potential for clinical use in both hospital-based and home dialysis applications.
Shi Y, Hu C, Han J
… +3 more, Qi Y, Yang J, Zhang Z
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42242152
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MicroRNA-21 (miR-21), a short non-coding RNA, functions as a diagnostic early biomarker for cancers, cardiovascular diseases, and inflammatory disorders. Thus, the development of a rapid, convenient, and highly sensitive...MicroRNA-21 (miR-21), a short non-coding RNA, functions as a diagnostic early biomarker for cancers, cardiovascular diseases, and inflammatory disorders. Thus, the development of a rapid, convenient, and highly sensitive method for miR-21 detection is essential for accurate disease diagnosis through point-of-care testing. Herein, we designed the stem-loop-terminated fluorescent DNA dendrimer, comprising Y-DNA and Y-DNA, to create a proximity/local concentration effect for detecting miR-21 through fluorescence resonance energy transfer (FRET). Both Y-DNA and Y-DNA consists of a dendritic core and three hairpin sticky ends, which were differentially labeled, with Y-DNA functionalized with Cy3 and Y-DNA with Cy5. In detection system, the confined microenvironment enabled miR-21 to act as a reusable catalyst, efficiently and repeatedly triggering the catalytic hairpin assembly (CHA) of Y-DNA and Y-DNA. Simultaneously, the fluorescence resonance energy transfer (FRET) signal was generated between the Cy3 of Y-DNA and the Cy5 of Y-DNA due to the sticky-end hybridization of stem-loop. The detection system exhibited a linear response over the range of 0.5 to 40 nM, with two linear ranges of 0-3 nM and 3-40 nM, and a detection limit of 0.09 nM. Meanwhile, we also used this sensing platform for miR-21 detection in the serum samples. Spike-recovery experiments yielded recoveries ranging from 98.9% to 103.1% with relative standard deviations below 5.66%, demonstrating significant potential for nucleic acid-based clinical diagnostics.
Liang X, Jiang G, Shi H
… +4 more, Mao Y, Wang N, Wang X, Chen X
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42242151
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Wheat stripe rust, caused by Puccinia striiformis f. sp. Tritici (Pst), represents a significant threat to global wheat production. Early detection, particularly during the asymptomatic phase, is critical for effective d...Wheat stripe rust, caused by Puccinia striiformis f. sp. Tritici (Pst), represents a significant threat to global wheat production. Early detection, particularly during the asymptomatic phase, is critical for effective disease management. Hyperspectral sensing can detect subtle physiological alterations associated with initial infection; However, its effectiveness is frequently limited by substantial background interference from normal plant growth. In this study, the reliability of hyperspectral data obtained from early asymptomatic leaves was first validated using quantitative real-time polymerase chain reaction (qPCR). To mitigate background the interference, generalized two-dimensional correlation spectroscopy (2D-COS) was employed, utilizing infection time as the perturbation variable. This approach surpasses conventional dimensionality reduction techniques such as principal component analysis (PCA) and the chemometric feature selection algorithm known as competitive adaptive reweighted sampling (CARS). Through this methodology, six feature bands exhibiting distinct absorption changes were identified. Analysis of synchronous and asynchronous 2D-COS correlation features from 1 to 6 days post-inoculation (dpi), enabled effective discrimination between spectral variations attributable to growth and those specific to disease responses. The biological significance of these spectral dynamics was empirically validated using steady-state chlorophyll fluorescence imaging and destructive biomass measurements. This combined evidence confirmed that Pst-induced chloroplast functional impairment strictly precedes macroscopic tissue structural collapse. This process effectively suppressed background noise while preserving critical infection-related signals. Subsequently, three classifiers-support vector machine (SVM), random forest (RF), and eXtreme gradient boosting (XGBoost)-were evaluated using the extracted 2D-COS features. Asynchronous features generally produced superior classification performance, with XGBoost achieving the highest accuracy (86.79%) and area under the receiver operating characteristic curve (AUC) (94.12%). Compared to conventional methods like PCA and CARS, 2D-COS more effectively attenuated growth-related interference and accentuated early disease signatures. These results demonstrate that the integrated framework of "multiplicative scatter correction (MSC) + Asynchronous Correlation Features + XGBoost" offers substantial potential for accurate, non-destructive, and early diagnosis of wheat stripe rust.
Wei B, Shen R, Cheng P
… +6 more, Xiao Y, Liu L, Zhang J, Fu F, Lin Z, Dong Y
Spectrochim Acta A Mol Biomol Spectrosc
· 2026 Jun · PMID 42242150
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This work presents a hydrogel-based surface-enhanced Raman spectroscopy (SERS) sensor for the direct detection of uric acid (UA) in human serum. The sensor utilizes a chip embedded with aggregated silver nanoparticles, w...This work presents a hydrogel-based surface-enhanced Raman spectroscopy (SERS) sensor for the direct detection of uric acid (UA) in human serum. The sensor utilizes a chip embedded with aggregated silver nanoparticles, whose localized surface plasmon resonance is tuned to match a 785 nm laser for optimal enhancement. The method demonstrates high sensitivity with a quantification limit of 1 × 10 mol/L and a wide semi-logarithmic linear calibration range from 1 × 10 to 1 × 10 mol/L. It exhibits excellent selectivity against common serum interferents. Validation with clinical samples showed strong agreement with a standard method, and spike-and-recovery tests yielded results between 95.1% and 107.9%. This sensor offers a rapid, reliable, and promising approach for point-of-care UA monitoring.