Search Results (516)

A method utilizing quaternion principal component analysis (QPCA) for three-dimensional fluorescence spectral (3D FS) feature extraction is employed to identify frying oil in edible oil. Particle swarm optimization partial least squares support vector machine (PSO-LSSVR) is utilized for detecting frying oil concentration. The study includes rapeseed oil, soybean oil, peanut oil, blending oil, and corn oil samples. Adulteration involves adding frying oil to these edible oils at concentrations of 0%, 5%, 10%, 30%, 50%, 70%, and 100%. Firstly, the F7000 fluorescence spectrometer is employed to measure the 3D FS of the adulterated edible oil samples, resulting in the generation of contour maps and 3D FS projections. The excitation wavelengths utilized in these measurements are 360 nm, 380 nm, and 400 nm, while the emission wavelengths span from 220 nm to 900 nm. Secondly, leveraging the automatic peak-finding function of the spectrometer, a quaternion parallel representation model of the 3D FS data for frying oil in edible oil is established using the emission spectra data corresponding to the aforementioned excitation wavelengths. Subsequently, in conjunction with the K-nearest neighbor classification (KNN), three feature extraction methods—summation, modulus, and multiplication quaternion feature extraction—are compared to identify the optimal approach. Thirdly, the extracted features are input into KNN, particle swarm optimization support vector machine (PSO-SVM), and genetic algorithm support vector machine (GA-SVM) classifiers to ascertain the most effective discriminant model for adulterated edible oil. Ultimately, a quantitative model for adulterated edible oil is developed based on partial least squares regression, PSO-SVR and PSO-LSSVR. The results indicate that the classification accuracy of QPCA features combined with PSO-SVM achieved 100%. Furthermore, the PSO-LSSVR quantitative model exhibited the best performance. Full article

Effective in situ pH sensing holds exciting prospects in environmental and biomedical applications, but still faces a great challenge. Until now, pH sensors with small size, high sensitivity, good stability and repeatability, great biosafety, wide detection range, and flexible structure have rarely been reported. Herein, we propose a novel dual-emission ratiometric fluorescent pH sensor by decorating ethyl cellulose (EC)-encapsulated CdSe/ZnS quantum dots (QDs) and oxazine 170 perchlorate (O170 dye) on the surface of the spider silk. When a 473 nm excitation light is coupled into the pH sensor, the evanescent wave transmitting along the surface of the spider silk will excite the CdSe/ZnS QDs and then the O170 dye based on the fluorescence resonance energy transfer (FRET) effect from the QDs; thus, the pH sensing of the surrounding liquid environment can be achieved in real time by collecting the photoluminescence (PL) spectra of the pH sensor and measuring the emission intensity ratio of the two fluorescent materials. The sensor has also demonstrated a high sensing sensitivity (0.775/pH unit) within a wide pH range of 1.92–12.11, as well as excellent reusability and reversibility, structure and time stability, biocompatibility, and biosafety. The proposed pH sensor has a potential application in an in situ monitor of water microenvironments, cellular metabolism, tumor microenvironments, etc. Full article

Monodisperse mesoporous hollow silica microcapsules present unique opportunities for advanced optical characterization due to their tunable nanostructure, high porosity and easy functionalization. A critical and challenging parameter in the optimization of these applications is the accurate determination of the effective refractive index, which governs light propagation and confinement within the nanostructured matrix of such mesoporous materials. In this study, individual mesoporous hollow silica microcapsules doped with Rhodamine B dye were analysed optically by exploiting whispering gallery mode (WGM) resonances, enabling non-destructive, single-particle refractometry with nanostructural sensitivity. Fourier Transform analysis of the fluorescence emission spectra revealed sharply defined, periodically spaced WGM peaks. For microcapsules with an 88 $\mu$m diameter, the measured intermodal spacing ($\Delta \lambda = 1.296$ nm) yielded an effective refractive index of 1.164. The measured value of the effective refractive index was cross-validated using Lorenz–Lorentz and Bruggeman effective medium models, both predicting porosity values (~63%) that closely match independent Brunauer–Emmett–Teller (BET) nitrogen adsorption measurements. The excellent agreement between optical and adsorption-based porosity demonstrates that WGM spectroscopy combined with Fourier analysis is a powerful, label-free, and non-invasive technique for correlating nanoscale porosity with macroscopic optical properties. This approach is widely applicable to single-particle analyses of nanostructured dielectric materials and opens new possibilities for in situ optical metrology in the development of advanced photonic, catalytic, and biomedical platforms. Full article

This paper presents the design and evaluation of a fluorescent probe based on fluorescein hydrazide for the selective detection of hypochlorite (ClO⁻), bromide (Br⁻), and iodide (I⁻) ions in solution. The starting chemosensor, fluorescein hydrazide, is suitable for detecting hypochlorite anions in solution, as observed for the first time. The Br⁻ and I⁻ ions could be discovered after activating the probe with hypochlorite. Upon interaction with ClO⁻ ions, the proposed probe exhibits a significant increase in fluorescence emission, a sharp rise in absorbance, and a distinct color change, which is attributed to the conversion from the spirolactam closed form to the open form of the fluorescein ring. ClO⁻ and Br⁻ ions added together were found to brominate the probe in an acetonitrile–water mixture, resulting in a pronounced bathochromic shift in both absorption and emission spectra. Notably, the combination of ClO⁻ and I⁻ was more effective in cleaving the spirolactam ring than hypochlorite alone. Quantum chemical calculations were used to understand the detection mechanism of Br and I ions in a probe–hypochlorite mixture. The probe demonstrated exceptional selectivity and rapid response towards the target analytes, with detection limits determined to be 2.61 μM for ClO⁻, 66 nM for Br⁻, and 13 nM for I⁻. Furthermore, it successfully monitored fluctuations in ClO⁻, Br⁻, and I⁻ concentrations within complex systems, highlighting its potential application in environmental and biological monitoring. Full article

Calcium phosphates are one of the main materials used in biomedicine for bone regeneration purposes. To improve the properties of biocompatible β-Ca₃(PO₄)₂, doping by bioactive, antibacterial is actively used, as well as luminescent ions. Co-doped phosphates Ca_8−xSr_xZnEu(PO₄)₇ with a β-Ca₃(PO₄)₂ (β-TCP)-type structure were synthesized through solid-state synthesis. The β-TCP-type structure was confirmed using X-ray powder diffraction and FTIR spectroscopy. Photoluminescence data, including excitation and emission spectra, decay curves, lifetime values and quantum yields, were collected for all samples. Ca_8−xSr_xZnEu(PO₄)₇ phosphates exhibit strong red-emission due to 4f-4f transitions of Eu³⁺ ions in disordered oxygen surrounding, with quantum yields reaching 54%. The phosphates demonstrated biocompatibility through MTT assay, with successful differentiation of aMSCs into the osteogenic lineage. Antibacterial activity was tested against four bacteria (E. coli, S. aureus, P. aeruginosa, and E. faecalis) and a fungus (C. albicans). It was found that the samples demonstrated antibacterial properties. The growth of E. coli and E. faecalis is significant inhibited by Ca_8−xSr_xZnEu(PO₄)₇ samples with 0 ≤ x ≤ 6.0. Analysis of mixed salt solubility using Eu³⁺ ions as a fluorescent probe showed that increasing Sr²⁺ concentration in Ca_8−xSr_xZnEu(PO₄)₇ delays both β-TCP phase resorption and HAP phase precipitation. These results demonstrate the potential of Ca_8−xSr_xZnEu(PO₄)₇ phosphates for bioimaging and bone healing control. Full article

Oligo(arylene ethynylene)s (OAEs) containing 4,5-(diethynylaryl)-1,2,3-triazoles with 3(OMe) and NR₂ substituents at the 5-position and bis-1,4-dialkoxybenzene moieties as spacers at the 4-position were obtained using the retro-Favorskii reaction as a key step. The most intense fluorescence was observed for OAEs with a trimethoxyphenyl substituent in THF solutions, with a quantum yield of up to 88%. Increasing the solvent polarity had minimal effect on the emission of trimethoxyphenyl substituted derivatives. A notable red shift in emission spectra was observed with increasing solvent polarity for OAEs 10a,g containing para-dimethylaminophenyl group. Their emission spectra in aqueous organic solutions revealed that an increase in water fraction in THF/water mixtures led to a bathochromic shift in emission spectra maxima accompanied by a hypochromic effect. An increase in intensity was observed in aqueous acetonitrile and DMSO. The maximum intensity was observed in DMSO solutions containing 30% water, which is attributed to aggregate-induced emission enhancement. Dynamic light scattering data also confirmed the formation of nanoscale aggregates in aqueous organic mixtures. Full article

This study developed identification models for five domestic rice varieties—Akitakomachi (Akita 31), Hitomebore (Tohoku 143), Hinohikari (Nankai 102), Koshihikari (Etsunan 17) and Nanatsuboshi (Soriku 163)—using fluorescence spectroscopy, near-infrared (NIR) spectroscopy, and machine learning. Two-dimensional fluorescence images were generated from excitation emission matrix (EEM) spectra in the 250–550 nm and 900–1700 nm ranges. Four machine learning hybrid models combining a convolutional neural network (CNN) with k-nearest neighbor algorithm (KNN), random forest (RF), logistic regression (LR), and support vector machine (SVM), were constructed using Python (ver. 3.13.2) by integrating feature extraction from CNN with traditional algorithms. The performances of KNN, RF, LR, and SVM were compared with NIR spectra. The NIR+KNN model achieved 0.9367 accuracy, while the fluorescence fingerprint+CNN model reached 0.9717. The CNN+KNN model obtained the highest mean accuracy (0.9817). All hybrid models outperformed individual algorithms in discrimination accuracy. Fluorescence images revealed at 280 nm excitation/340 nm emission linked to tryptophan, and weaker peaks at 340 nm excitation/440 nm emission, likely due to advanced glycation end products. Hence, combining fluorescent fingerprinting with deep learning enables accurate, reproducible rice variety identification and could prove useful for assessing food authenticity in other agricultural products. Full article

Liposomal systems are advanced carriers of active substances which, thanks to their ability to encapsulate these substances, significantly improve their pharmacokinetics, bioavailability, and selectivity. This article presents the results of spectroscopic studies for a selected compound from the 1,3,4-thiadiazole group, namely 4-[5-(naphthalen-1-ylmethyl)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol (NTBD, see below in the text), in selected liposomal systems formed from the phospholipid 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC). Detailed spectroscopic analyses were carried out using electronic absorption and fluorescence spectroscopy; resonance light scattering (RLS) spectra measurements; dynamic light scattering (DLS); as well as time-resolved methods—fluorescence lifetime measurements using the TCSPC technique. Subsequently, based on the interpretation of spectra obtained by FTIR infrared spectroscopy, the preliminary molecular organization of the above-mentioned compounds within lipid multilayers was determined. It was found that NTBD preferentially occupies the region of polar lipid headgroups in the lipid multilayer, although it also noticeably interacts with the hydrocarbon chains of the lipids. Furthermore, X-ray diffraction (XRD) techniques were used to study the effect of NTBD on the molecular organization of DPPC lipid multilayers. Monomeric structures and aggregated forms of the above-mentioned 1,3,4-thiadiazole analogue were characterized using X-ray crystallography. Interesting dual fluorescence effects observed in steady-state fluorescence measurements were linked to the excited-state intramolecular proton transfer (ESIPT) effect (based on our earlier studies), which, in the obtained biophysical systems—liposomal systems with strong hydrophobicity—is greatly enhanced by aggregation-induced emission (AIE) effects. In summary, the research presented in this study, concerning the novel 1,3,4-thiadiazole derivative NTBD, is highly relevant to drug delivery systems, such as various model liposomal systems, as it demonstrates that depending on the concentration of the selected fluorophore, different forms may be present, allowing for appropriate modulation of its biological activity. Full article

Donor–π–acceptor (D–π–A) dyes have garnered significant attention due to their unique optical properties and potential applications in various fields, including optoelectronics, chemical sensing and bioimaging. This study presents the design, synthesis, and comprehensive photophysical investigation of a series of ionic dyes incorporating five- and six-membered heterocyclic rings as electron-donating and electron-withdrawing units, respectively. The influence of the dye structure, i.e., (a) the systematically varied heteroatom (NMe, S and O) in donor moiety, (b) benzannulation of the acceptor part and (c) position of the donor vs. acceptor, on the photophysical properties was evaluated by steady-state and time-resolved spectroscopy across solvents of varying polarity. To probe solvatochromic behavior, the Reichardt parameters and the Catalán four-parameter scale, including polarizability (SP), dipolarity (SdP), acidity (SA) and basicity (SB) parameters, were applied. Emission dynamics were further analyzed through time-resolved fluorescence spectroscopy employing multi-exponential decay models to accurately describe fluorescence lifetimes. Time-dependent density functional theory (TDDFT) calculations supported the experimental findings by elucidating electronic structures, charge-transfer character, and dipole moments in the ground and excited states. The experimental results show the introduction of O or S instead of NMe causes substantial hypsochromic shifts in the absorption and emission bands. Benzannulation enhances the photoinduced charge transfer and causes red-shifted absorption spectra to be obtained without deteriorating the emission properties. Hence, by introducing an appropriate modification, it is possible to design materials with tunable photophysical properties for practical applications, e.g., in opto-electronics or sensing. Full article

We report the study of seven commercially available rosehip oils (Rosa canina L.) using GC-MS, colorimetry (CIELab), UV-VIS, FTIR, and 3D EEM fluorescence spectroscopy, including using a smartphone spectrometer. GC-MS revealed two groups of oil samples with different chemical constituents: ω-6-dominant with 45–51% α-linolenic acid (samples S1, S2, and S5–S7) and ω-3-dominant with 47–49% α-linolenic, 7.3–19.1% oleic, 1.9–2.8% palmitic, 1.0–1.8% stearic, and 0.1–0.72% arachidic acid (S3, S4). In S1 PUFA content was found to be ~75% with ω-6/ω-3 ≈ 2:1. Favorable lipid indices of AI 0.0197–0.0302, TI 0.0208–0.0304, and h/H 33.0–50.6 were observed. The highest h/H (50.55) was observed in S5 and the lowest TI (0.0208) in S3. FTIR showed characteristic lines at ~3021, 2929/2853, 1749, and ~1370 cm⁻¹, and PCA yielded 60–80% variation and separated S1 from the rest of the samples, while the clusters grouped S5 and S6. The smartphone spectrometer also reproduced the individual differences in sample volumes ≤ 1 µL under 355–395 nm UV excitation. The non-destructive optical markers reflect the fatty acid profile and allow fast low-cost identification and quality control. An integrated control method including routine optical screening, periodic CG-MS verification, and chemometric models to trace oxidation and counterfeiting is suggested. Full article

Europium mononuclear complexes are able to form organic molecular crystals by aggregation of molecules through non-covalent bonding interactions. These crystals have many unique optical properties. However, this kind of crystal still faces some difficulties and challenges in the process of research and application, such as the high difficulty of synthesis and purification, and the difficulty of spectral property modulation. In this work, an europium-containing rare-earth molecular crystal material [Eu(BA)₄(pip)], was prepared via a solvothermal method. It is characterized by low melting point, low polarity, stable structure, high luminescence intensity, and has the potential for the preparation of quantum optical devices. After that, optimized the structure of the molecular crystals by petroleum ether solvent. Through the recrystallization process, a uniform and continuous film was formed, which resulted with a more regular surface morphology, and the changes in the optimized crystal structure had an effect on the europium ion electron-leap energy level, the fluorescence emission spectra also showed higher fluorescence resolving ratio. This study particular emphasis on enhancing the quality of [Eu(BA)₄(pip)] molecular crystals and investigating their impact on their spectral properties. Full article

This study aimed to develop an effective method to overcome the challenge of straw return in cold-region soil. We systematically investigated the synergistic mechanism of montmorillonite (MMT) and composite amino acid (CAA) on straw humification and carbon sequestration through a low-temperature litterbag field experiment. The results indicate that the combined treatment (MMT-CAA) significantly increased the decomposition rate of straw by 42.1% compared to the control (CK), with MMT showing particular efficacy in lignin degradation (28.3% reduction), while the CAA preferentially decomposed cellulose (19.7% reduction). An FTIR analysis of the decomposition products confirmed these findings. Water-soluble organic carbon (WEOC) and its three-dimensional fluorescence spectra exhibited a 25.0% increase in MMT-CAA and enhanced aromaticity of humic acid-like substances. Humic substances and their ¹³C-NMR revealed that MMT-CAA enhanced humic acid formation and molecular stability by 31.4% (with a 47.8% increase in aromaticity). A further redundancy analysis and symbiotic network of microorganisms demonstrated that MMT-CAA increased the abundance of lignocellulose-degrading phyla (Actinomycetes and Stramenomycetes) and the formation of a complex co-degradation network. Field corn planting trials indicated that MMT-CAA increased plant height by 55.1%, stem thickness by 58.7%, leaf area by 70.2%, and the SPAD value by 41.1%. Additionally, MMT significantly reduced CO₂ and N₂O emission fluxes by 35.6% and 15.8%, respectively, while MMT-CAA increased CH₄ uptake fluxes by 13.4%. This study presents an innovative strategy, providing mechanistic insights and practical solutions to synergistically address the challenges of slow straw decomposition and carbon loss in cold regions. Full article

Accurate determination of the quantum yield (${\mathrm{\Phi }}_f$) in scattering media is essential for numerous scientific and industrial applications, but it remains challenging due to re-absorption and scattering-induced biases. In this study, we present a GPU-accelerated Monte Carlo simulation framework that solves the full fluorescence radiative transfer equation (FRTE), incorporating spectrally dependent absorption, scattering, and fluorescence cascade processes. The model accounts for re-emission shifts, energy scaling due to the Stokes shift and implements a digital optical twin of the experimental setup, including the precise description of the applied integrating sphere. Using Rhodamine 6G in both ethanol and PDMS matrices, we demonstrate the accuracy of the method by comparing simulated reflectance and transmission spectra with independent experimental measurements. ${\mathrm{\Phi }}_f$ and emission distributions are optimized using a Levenberg–Marquardt algorithm. The obtained quantum yields agree well with literature values for Rhodamine 6G. This approach eliminates the need for empirical correction factors, enabling the reliable determination of actual, undistorted emission spectra and the ${\mathrm{\Phi }}_f$ in complex scattering media. Full article

Graphene quantum dots (GQDs) obtained by microwave-induced pyrolysis of glutamic acid and triethylenetetramine (trien) are fairly stable, emissive, water-soluble, and positively charged nano-systems able to interact with negatively charged meso-tetrakis(4-sulfonatophenyl) porphyrin (TPPS₄). The stoichiometric control during the preparation affords a supramolecular adduct, GQDs@TPPS₄, that exhibits a double fluorescence emission from both the GQDs and the TPPS₄ fluorophores. These supramolecular aggregates have an overall negative charge that is responsible for the condensation of cations in the nearby aqueous layer, and a three-fold acceleration of the metalation rates of Cu²⁺ ions has been observed with respect to the parent porphyrin. Addition of various metal ions leads to some changes in the UV/Vis spectra and has a different impact on the fluorescence emission of GQDs and TPPS₄. The quenching efficiency of the TPPS₄ emission follows the order Cu²⁺ > Hg²⁺ > Cd²⁺ > Pb²⁺ ~ Zn²⁺ ~ Co²⁺ ~ Ni²⁺ > Mn²⁺ ~ Cr³⁺ >> Mg²⁺ ~ Ca²⁺ ~ Ba²⁺, and it has been related to literature data and to the sitting-atop mechanism that large transition metal ions (e.g., Hg²⁺ and Cd²⁺) exhibit in their interaction with the macrocyclic nitrogen atoms of the porphyrin, inducing distortion and accelerating the insertion of smaller metal ions, such as Zn²⁺. For the most relevant metal ions, emission quenching of the porphyrin evidences a linear behavior in the micromolar range, with the emission of the GQDs being moderately affected through a filter effect. Deliberate pollution of the samples with Zn²⁺ reveals the ability of the GQDs@TPPS₄ adduct to detect sensitively Cu²⁺, Hg^2+, and Cd²⁺ ions. Full article

The search for substances that increase the immunity of bees is becoming a necessity in the era of various environmental threats and the declining immunocompetence of these insects. Therefore, we tested the biological and physicochemical properties of 7-diethylamino-4-hydroxycoumarin (7DOC). In a cage test, two groups of bees were created: a control group fed with sugar syrup and an experimental group fed with sugar syrup with the addition of 7DOC. In each group, the longevity of the bees was determined and the protein concentrations and antioxidant activities in the bees’ hemolymph were determined. The bees fed with 7DOC lived 2.7 times longer than those in the control group. The protein concentrations and activities of SOD, CAT, GPx and GST, as well as the TAC levels, were significantly higher in the hemolymph of the supplemented workers. To confirm these potent biological properties of 7DOC, the UV-Vis spectra, emission and excitation of fluorescence, synchronous spectra and finally the fluorescence lifetimes of this compound were measured using the time-correlated single photon counting method, in various environments differing in polarity and in the environment applied in bee research. This compound was shown to be sensitive to changes in solvent polarity. The spectroscopic assays were complemented with crystallographic tests of the obtained monocrystals of the aforementioned compounds, which attested to the aggregation effects observed in the spectra measurements for the selected coumarin. The research results confirm that this compound has the potential to be implemented in apiary management, which will be our application goal, but further research into apiary conditions is required. Full article