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Search Results (230)

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Keywords = excitation emission fluorescence spectra

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21 pages, 3372 KiB  
Article
Advanced Research on Biological Properties—A Study on the Activity of the Apis mellifera Antioxidant System and the Crystallographic and Spectroscopic Properties of 7-Diethylamino-4-hydroxycoumarin
by Klaudia Rząd, Iwona Budziak-Wieczorek, Aneta Strachecka, Patrycja Staniszewska, Adam Staniszewski, Anna Gryboś, Alicja Matwijczuk, Bożena Gładyszewska, Karolina Starzak, Anna A. Hoser, Maurycy E. Nowak, Małgorzata Figiel, Sylwia Okoń and Arkadiusz Paweł Matwijczuk
Int. J. Mol. Sci. 2025, 26(14), 7015; https://doi.org/10.3390/ijms26147015 - 21 Jul 2025
Viewed by 454
Abstract
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, [...] Read more.
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
(This article belongs to the Section Bioactives and Nutraceuticals)
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13 pages, 2729 KiB  
Article
Natural Colorants for a Bio-Based Economy—Recovering a Lost Knowledge for Novel Applications of Chrozophora tinctoria Extracts as Paints Through a Multi-Analytical Approach
by Imogen Cleveland, Andrew Beeby, Márcia Vieira, Fernando Pina, Paula S. Branco, Paula Nabais and Maria J. Melo
Molecules 2025, 30(13), 2860; https://doi.org/10.3390/molecules30132860 - 4 Jul 2025
Viewed by 399
Abstract
Natural colorants, with their sustainable origins, offer a promising alternative for various applications. Advanced studies have unveiled the remarkable properties, resilience, and durability of these ancient dyes, which our ancestors developed through sustainable material processing. This serves as a testament to the potential [...] Read more.
Natural colorants, with their sustainable origins, offer a promising alternative for various applications. Advanced studies have unveiled the remarkable properties, resilience, and durability of these ancient dyes, which our ancestors developed through sustainable material processing. This serves as a testament to the potential of sustainable solutions in our field. As part of our research, we prepared three medieval temperas using gum arabic, parchment glue, and casein glue. These tempera were explicitly designed to protect the purples obtained from Chrozophora tinctoria extracts. A comprehensive multi-analytical approach guides our research on natural colorants. Central to this approach is the use of molecular fluorescence by microspectrofluorimetry, a key tool in our study. By analyzing the emission and excitation spectra in the visible range, we can identify specific formulations. This method is further supported by fingerprinting techniques, including Fourier Transform Infrared Spectroscopy (FTIR) and High-Performance Liquid Chromatography with Diode Array Detection (HPLC-DAD). These are further complemented by Fiber Optics Reflectance Spectroscopy (FORS) and colorimetry. Building on our understanding of orcein purples, we have extended our research to purples derived from Chrozophora tinctoria extracts. Our findings reveal the unique properties of Chrozophora tinctoria, which can be accurately distinguished from orcein purples, highlighting the distinctiveness of each. Full article
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20 pages, 2336 KiB  
Article
Improvement in Heat Transfer in Hydrocarbon and Geothermal Energy Coproduction Systems Using Carbon Quantum Dots: An Experimental and Modeling Approach
by Yurany Villada, Lady J. Giraldo, Diana Estenoz, Masoud Riazi, Juan Ordoñez, Esteban A. Taborda, Marlon Bastidas, Camilo A. Franco and Farid B. Cortés
Nanomaterials 2025, 15(12), 879; https://doi.org/10.3390/nano15120879 - 7 Jun 2025
Viewed by 695
Abstract
The main objective of this study is to improve heat transfer in hydrocarbon- and geothermal-energy coproduction systems using carbon quantum dots (CQDs). Two types of 0D nanoparticles (synthesized and commercial CQDs) were used for the formulation of nanofluids to increase the heat transfer [...] Read more.
The main objective of this study is to improve heat transfer in hydrocarbon- and geothermal-energy coproduction systems using carbon quantum dots (CQDs). Two types of 0D nanoparticles (synthesized and commercial CQDs) were used for the formulation of nanofluids to increase the heat transfer from depleted wells for the coproduction of oil and electrical energy. The synthesized and commercial CQDs were characterized in terms of their morphology, zeta potential, density, size, and heat capacity. The nanofluids were prepared using brine from an oil well of interest and two types of CQDs. The effect of the CQDs on the thermophysical properties of the nanofluids was evaluated based on their thermal conductivity. In addition, a mathematical model based on heat transfer principles to predict the effect of nanofluids on the efficiency of the organic Rankine cycle (ORC) was implemented. The synthesized and commercial CQDs had particle sizes of 25 and 16 nm, respectively. Similarly, zeta potential values of 36 and 48 mV were obtained. Both CQDs have similar functional groups and UV absorption, and the fluorescence spectra show that the study CQDs have a maximum excitation–emission signal around 360–460 nm. The characterization of the nanofluids showed that the addition of 100, 300, and 500 mg/L of CQDs increased the thermal conductivity by 40, 50, and 60 %, respectively. However, the 1000 mg/L incorporated decreased the thermal conductivities of the nanofluids. The observed behavior can be attributed to the aggregate size of the nanoparticles. Furthermore, a new thermal conductivity model for CQD-based nanofluids was developed considering brine salinity, particle size distribution, and agglomeration effects. The model showed a remarkable fit with the experimental data and predicted the effect of the nanofluid concentration on the thermal conductivity and cycle efficiency. Coupled with an ORC cycle model, CQD concentrations of approximately 550 mg/L increased the cycle efficiency by approximately 13.8% and 18.6% for commercial and synthesized CQDs, respectively. Full article
(This article belongs to the Section Theory and Simulation of Nanostructures)
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19 pages, 3801 KiB  
Article
Effect of BaO Content on the Photoluminescence Properties of Mn2+ and Eu2+-Codoped Sr3−xBaxMgSi2O8 Phosphors
by Shu-Han Liao, Fang-Tzu Hsu, Cheng-Fu Yang and Kao-Wei Min
Inorganics 2025, 13(6), 187; https://doi.org/10.3390/inorganics13060187 - 6 Jun 2025
Viewed by 438
Abstract
In this study, Mn2+ and Eu2+-codoped Sr3−xBaxMgSi2O8 (x = 0–1.5) phosphors were synthesized at 1400 °C under a reducing atmosphere composed of 5% H2 and 95% N2 to produce [...] Read more.
In this study, Mn2+ and Eu2+-codoped Sr3−xBaxMgSi2O8 (x = 0–1.5) phosphors were synthesized at 1400 °C under a reducing atmosphere composed of 5% H2 and 95% N2 to produce materials with blue light emission. The resulting powders were characterized using several analytical techniques: X-ray diffraction (XRD) was employed to identify the crystalline phases, scanning electron microscopy (SEM) was used to observe the microstructure, and photoluminescence excitation (PLE) and emission (PL) spectra were measured using a fluorescence spectrophotometer. The results revealed several key findings. XRD analysis showed that the Sr3MgSi2O8 (Sr3−xBaxMgSi2O8) phase coexisted with secondary phases of Sr2SiO4 and Sr2MgSi2O7. SEM observations indicated that the synthesized powders exhibited a distinctive needle-like structure anchored on the surfaces of the particles. The PL and PLE intensities increased sharply as the BaO content increased from x = 0 to x = 0.6, followed by a more gradual increase, reaching a peak at x = 1.2. Additionally, as the value of x increased, the wavelengths corresponding to maximum PL and PLE intensities exhibited a blue shift, moving to shorter wavelengths. Further investigation focused on the excitation behavior by replotting the PLE spectra using energy (eV) as the x-axis. A Gaussian fitting function was applied to deconvolute the excitation bands, enabling an in-depth analysis of how compositional variations influenced the Stokes shift. Full article
(This article belongs to the Section Inorganic Solid-State Chemistry)
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13 pages, 2415 KiB  
Article
Synthesis, Characterization, and Biological Activities of Rare Earth Metal Complexes with Gallic Acid
by Nguyen Thi Hien Lan, Hoang Phu Hiep, Dinh Cong Trinh and Pham Van Khang
Inorganics 2025, 13(6), 180; https://doi.org/10.3390/inorganics13060180 - 28 May 2025
Viewed by 553
Abstract
This study reports the synthesis and characterization of four novel rare earth-gallic acid complexes, Sm(Gal)3·4H2O, Eu(Gal)3·4H2O, Tb(Gal)3·4H2O, and Dy(Gal)3·4H2O. These complexes were synthesized under optimized conditions (60 [...] Read more.
This study reports the synthesis and characterization of four novel rare earth-gallic acid complexes, Sm(Gal)3·4H2O, Eu(Gal)3·4H2O, Tb(Gal)3·4H2O, and Dy(Gal)3·4H2O. These complexes were synthesized under optimized conditions (60 °C, pH 4–5) and characterized using the Ln3+ elemental content method, infrared spectroscopy (FT-IR), thermogravimetric analysis (TGA), mass spectrometry (MS), and fluorescence spectroscopy. IR spectra confirmed the coordination of rare earth ions (Ln3+) with gallic acid through carboxylate oxygen atoms. TGA revealed the thermal decomposition pathways, while MS identified the molecular ion peaks and fragmentation patterns. All complexes exhibited strong luminescence under UV excitation, with emission peaks corresponding to characteristic transitions of Sm3+, Eu3+, Tb3+, and Dy3+. Biological assays demonstrated significant antimicrobial activity against Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa, with Dy(Gal)3·4H2O showing the highest efficacy. Additionally, the complexes displayed inhibitory effects on MCF7 breast cancer cells, with Tb(Gal)3·4H2O exhibiting the lowest IC50 value (11.3 µM). These findings suggest that rare earth metal complexes with gallic acid have potential applications in biomedical fields, particularly as antimicrobial and anticancer agents. Full article
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16 pages, 1263 KiB  
Article
Smart Prussian Blue Analog Decorated with Zinc Oxide Nanohybrid: Fluorescent Sensing and Sustainability of Sunset Yellow in Food and Environment
by Hany A. Batakoushy, Amr K. A. Bass, Hassanien Gomaa, Sami El Deeb and Adel Ehab Ibrahim
Biosensors 2025, 15(4), 263; https://doi.org/10.3390/bios15040263 - 20 Apr 2025
Viewed by 560
Abstract
In the current study, the Prussian blue analog decorated with zinc oxide (PBA@ZnO) was produced using a simple chemical co-precipitation method. The nanohybrid was examined using XRD, EDX, SEM, and TEM techniques, where it exhibited a polycrystalline structure with highly intense broadening peaks. [...] Read more.
In the current study, the Prussian blue analog decorated with zinc oxide (PBA@ZnO) was produced using a simple chemical co-precipitation method. The nanohybrid was examined using XRD, EDX, SEM, and TEM techniques, where it exhibited a polycrystalline structure with highly intense broadening peaks. The surface morphology was observed as thin nanosheets decorated with tiny spheres. Following excitation at 360 nm, the fluorescence spectra of PBA@ZnO showed fluorescence emission at 455 nm. The developed PBA@ZnO was used to qualitatively and quantitatively assess sunset yellow (SY), where its native fluorescence was selectively quenched as SY concentrations increased. For the first time, PBA@ZnO was used as a turn-off nano-sensor for the spectrofluorimetric measurement of SY. The method’s markable sensitivity was demonstrated within an SY linearity range of 50–500 ng/mL, where the limit of detection was calculated as 9.77 ng/mL. Real sample analysis in the food industry, including samples from real food, soft drinks, and sun cream, was made possible by the detection of tiny amounts of SY. Analytical Greenness (AGREE), AGREEprep, and the complementing Green Analytical Procedure Index (Complex MoGAPI) were used to illustrate the new approach’s exceptional eco-friendliness and greenness. The RGB 12 algorithm worked to demonstrate that the suggested approach is less costly, more environmentally friendly, more sustainable, analytically sound, and whiter than the ones that were previously published. In accordance with ICH principles, the suggested method was validated. This approach offers a promising way to rapidly and accurately identify and measure SY in the food industry, helping to guarantee food safety and maintain the health of customers. Full article
(This article belongs to the Special Issue Innovative Biosensing Technologies for Sustainable Healthcare)
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11 pages, 4413 KiB  
Communication
Photoluminescence and Crystal-Field Analysis of Reddish CaYAl3O7: Eu3+ Phosphors for White LEDs
by Zhaoyu Li, Da Yi, Tianpei Xu, Yong Ao and Weiqing Yang
Materials 2025, 18(7), 1578; https://doi.org/10.3390/ma18071578 - 31 Mar 2025
Viewed by 335
Abstract
Red melilite structure CaY1−xAl3O7: Eux (x = 0.04–0.24) phosphors for white LEDs were synthesized through a straightforward solid-state reaction process. These phosphors exhibit efficient excitation under near-ultraviolet light at 398 nm (7F [...] Read more.
Red melilite structure CaY1−xAl3O7: Eux (x = 0.04–0.24) phosphors for white LEDs were synthesized through a straightforward solid-state reaction process. These phosphors exhibit efficient excitation under near-ultraviolet light at 398 nm (7F05L6), producing the desired emission peak at 622 nm from the transitions of 5D07F2. The Eu doping concentration was also optimized as x = 0.16. The complete 3003 × 3003 energy matrix was constructed based on an effective Hamiltonian including both free-ion and crystal-field interactions within a complete diagonalization method (CDM). Eighteen experimental fluorescent spectra for Eu3+ ions at the Y3+ site of CaYAl3O7 crystal were quantitatively identified with high accuracy through fitting calculations. The fitting values are in reasonable agreement with the experimental results, thereby showcasing the efficacy of the CDM in probing luminescent phosphors for white LEDs. Full article
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12 pages, 3753 KiB  
Article
Unveiling the ESIPT Luminescence Mechanism of 4′-N,N-Diethylamino-3-Hydroxyflavone in Ionic Liquid: A Computational Study
by Jin Yang, Qi Li, Meilin Guo, Lu Yan, Lixia Zhu, Jing Zhao, Guangxiong Hu, Hang Yin and Ying Shi
Molecules 2025, 30(6), 1381; https://doi.org/10.3390/molecules30061381 - 20 Mar 2025
Cited by 1 | Viewed by 505
Abstract
Excited state intramolecular proton transfer (ESIPT) within molecules in solvents plays important roles in photo-chemistry and photo-biology. Herein, the influence of 1-ethyl-3-methyl-imidazolium bis (trifluoromethylsulfonyl) imide ([EMIm][NTf2]) and 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIm][PF6]) on the ESIPT of 4′-N,N-diethylamino-3-hydroxyflavone (DEAHF) was explored. The [...] Read more.
Excited state intramolecular proton transfer (ESIPT) within molecules in solvents plays important roles in photo-chemistry and photo-biology. Herein, the influence of 1-ethyl-3-methyl-imidazolium bis (trifluoromethylsulfonyl) imide ([EMIm][NTf2]) and 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIm][PF6]) on the ESIPT of 4′-N,N-diethylamino-3-hydroxyflavone (DEAHF) was explored. The density functional theory and time-dependent density functional theory methodologies were used. The calculated fluorescence spectrum reveals that the fluorescence peaks of DEAHF in [EMIm][NTf2] and [BMIm][PF6] originate from the emission of N* and T* forms. The structure’s optimization, infrared spectra, non-covalent interactions and the scanning of potential energy curves collectively demonstrate that the ESIPT of DEAHF likely happen more in [EMIm][NTf2] than in [BMIm][PF6]. The solvation effects in [BMIm][PF6] exhibit greater prominence compared to those in [EMIm][NTf2], as evidenced by the free energy curve. The alterations in dipole moment indicate a substantial solvation relaxation during the ESIPT processes. Our aforementioned research offers backing for the advancement of novel fluorescent probes. Full article
(This article belongs to the Special Issue Theoretical Study on Luminescent Properties of Organic Materials)
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9 pages, 7735 KiB  
Communication
Environmentally Friendlier Development of Latent Prints on Porous Surfaces Using 1,8-Diazafluoren-9-one (DFO) and iPhone 11
by Jules Seh Noel Guei
Forensic Sci. 2025, 5(1), 14; https://doi.org/10.3390/forensicsci5010014 - 17 Mar 2025
Viewed by 605
Abstract
A novel method for the development of fingerprints in environmentally friendlier conditions and on porous surfaces with 1,8-diazafluoren-9-one (DFO) is reported herein. DFO, a fluorescent dye was formulated in glacial acetic acid, methanol, and a minimum amount of methylene chloride. The DFO reacted [...] Read more.
A novel method for the development of fingerprints in environmentally friendlier conditions and on porous surfaces with 1,8-diazafluoren-9-one (DFO) is reported herein. DFO, a fluorescent dye was formulated in glacial acetic acid, methanol, and a minimum amount of methylene chloride. The DFO reacted with amino acid components of latent prints, resulting in a fluorescent species that was visualized under daylight, UV light at 254 nm, 365 nm, and LED at 395–405 nm. The developed prints were photographed using iPhone 11 and IOS 17.4.1. The fluorescent spectra of the species resulting from DFO’s reaction with the amino acid glycine and the wavelengths of maximum excitation (λex = 470 nm) and emission (λem = 585 nm) were also reported. The method is suitable for forensic laboratories. Full article
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22 pages, 2991 KiB  
Article
Luminescent Manganese(II) Iminophosphorane Derivatives
by Domenico Piccolo, Jesús Castro, Daniele Rosa-Gastaldo and Marco Bortoluzzi
Molecules 2025, 30(6), 1319; https://doi.org/10.3390/molecules30061319 - 14 Mar 2025
Viewed by 1266
Abstract
The reaction between the iminophosphorane ligand N-phenyl-1,1,1-triphenylphosphanimine (NPh=PPh3) and anhydrous manganese(II) halides allowed the isolation of complexes with the general formula [MnX2(NPh=PPh3)2] (X = Cl, Br, I). The compounds showed luminescence in the green [...] Read more.
The reaction between the iminophosphorane ligand N-phenyl-1,1,1-triphenylphosphanimine (NPh=PPh3) and anhydrous manganese(II) halides allowed the isolation of complexes with the general formula [MnX2(NPh=PPh3)2] (X = Cl, Br, I). The compounds showed luminescence in the green region attributed to the 4T1(4G)→6A1(6S) transition of the metal centre in the tetrahedral field, which was superimposed in the cases of X = Cl and X = Br on weak ligand-centred fluorescence. The emission and excitation spectra were compared with those of the free ligand and of the related zinc(II) bromo-complex. DFT calculations on the free ligand and on the manganese(II) bromo-complex helped to rationalise the experimental data. The protonation of NPh=PPh3 led to the formation of the iminium cation [NHPh=PPh3]+, which was used as a building block for the synthesis of organic–inorganic hybrids with the general formula [NHPh=PPh3]2[MnX4] (X = Cl, Br, I). The crystal structure of [NHPh=PPh3]2[MnBr4] was determined by means of X-ray diffraction. Green photoluminescence associated with the metal-centred transition was also observed for the organic–inorganic hybrids, with higher quantum yields with respect to the neutral [MnX2(NPh=PPh3)2] complexes. In the case of X = I, luminescence from the cation was superimposed on that from the tetraiodomanganate anion upon excitation of the compound with near–UV light. Full article
(This article belongs to the Special Issue 30th Anniversary of Molecules—Recent Advances in Applied Chemistry)
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14 pages, 4858 KiB  
Article
Synthesis and Characterization of Smartphone-Readable Luminescent Lanthanum Borates Doped and Co-Doped with Eu and Dy
by Katya Hristova, Irena P. Kostova, Tinko A. Eftimov, Georgi Patronov and Slava Tsoneva
Photonics 2025, 12(2), 171; https://doi.org/10.3390/photonics12020171 - 19 Feb 2025
Cited by 1 | Viewed by 762
Abstract
Despite notable advancements in the development of borate materials, improving their luminescent efficiency remains an important focus in materials research. The synthesis of lanthanum borates (LaBO3), doped and co-doped with europium (Eu3⁺) and dysprosium (Dy3⁺), by the [...] Read more.
Despite notable advancements in the development of borate materials, improving their luminescent efficiency remains an important focus in materials research. The synthesis of lanthanum borates (LaBO3), doped and co-doped with europium (Eu3⁺) and dysprosium (Dy3⁺), by the solid-state method, has demonstrated significant potential to address this challenge due to their unique optical properties. These materials facilitate efficient energy transfer from UV-excited host crystals to trivalent rare-earth activators, resulting in stable and high-intensity luminescence. To better understand their structural and vibrational characteristics, Fourier transform infrared (FTIR) spectroscopy and Raman spectroscopy were employed to identify functional groups and molecular vibrations in the synthesized materials. Additionally, X-ray diffraction (XRD) analysis was conducted to determine the crystalline structure and phase composition of the samples. All observed transitions of Eu3⁺ and Dy3⁺ in the excitation and emission spectra were systematically analyzed and identified, providing a comprehensive understanding of their behavior. Although smartphone cameras exhibit non-uniform spectral responses, their integration into this study highlights distinct advantages, including contactless interrogation, effective UV excitation suppression, and real-time spectral analysis. These capabilities enable practical and portable fluorescence sensing solutions for applications in healthcare, environmental monitoring, and food safety. By combining advanced photonic materials with accessible smartphone technology, this work demonstrates a novel approach for developing low-cost, scalable, and innovative sensing platforms that address modern technological demands. Full article
(This article belongs to the Section Optoelectronics and Optical Materials)
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10 pages, 1946 KiB  
Article
Synthesis and Characterization of Lignocellulose-Based Carbon Quantum Dots (CQDs) and Their Antimicrobial and Antioxidant Functionalities
by Wooseok Lee and Seonghyuk Ko
Molecules 2025, 30(3), 667; https://doi.org/10.3390/molecules30030667 - 3 Feb 2025
Cited by 1 | Viewed by 1771
Abstract
Carbon quantum dots (CQDs) have recently drawn enormous attention due to not only their unique chemical, biological, and optical properties but also because a variety of renewable biomasses are readily utilized as carbon sources in their synthesis. This study investigated the synthesis, characterization, [...] Read more.
Carbon quantum dots (CQDs) have recently drawn enormous attention due to not only their unique chemical, biological, and optical properties but also because a variety of renewable biomasses are readily utilized as carbon sources in their synthesis. This study investigated the synthesis, characterization, and functional evaluation of CQDs from unbleached mechanical pulp as a natural lignocellulosic resource. The CQDs were synthesized using a one-step hydrothermal synthesis with varying temperature, time, and pulp consistency. The resulting CQDs exhibit a spherical shape with a size distribution of 9.73 ± 0.82 nm and lattice parameters of 0.21 and 0.34 nm, indicating a graphite core. The photoluminescence spectra showed evident fluorescence characteristics, with an emission peak at 435 nm at an excitation wavelength of 370 nm. The as-prepared CQDs were also chemically composed of C=C and C=O bonds linked to the hydroxyl and carboxyl functional groups, which are typically found in lignocellulose-based CQDs. The CQDs demonstrated antibacterial activity exceeding 99.9% against E. coli at the lowest concentration of 0.75 mg/mL. Demonstrating its antioxidation property, the DPPH radical scavenging activity surpassed 90% with more than 40 µg/mL of the CQD solution. Full article
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26 pages, 2438 KiB  
Article
Assessment of the Microbiological Potential and Spectroscopic Properties of New Imino-1,3,4-Thiadiazoles Showing the ESIPT Effect Strongly Enhanced by Aggregation
by Edyta Chruściel, Lidia Ślusarczyk, Bożena Gładyszewska, Dariusz Karcz, Rafał Luchowski, Aleksandra Nucia, Tomasz Ociepa, Michał Nowak, Krzysztof Kowalczyk, Adam Włodarczyk, Mariusz Gagoś, Sylwia Okoń and Arkadiusz Matwijczuk
Molecules 2025, 30(3), 531; https://doi.org/10.3390/molecules30030531 - 24 Jan 2025
Viewed by 1205
Abstract
There is currently a growing interest in imino derivatives of compounds such as thiadiazoles and other groups of compounds whose extended π-electron systems enhance their photophysical properties. These compounds also show low toxicity and strong antifungal activity, making them effective against fungal pathogens [...] Read more.
There is currently a growing interest in imino derivatives of compounds such as thiadiazoles and other groups of compounds whose extended π-electron systems enhance their photophysical properties. These compounds also show low toxicity and strong antifungal activity, making them effective against fungal pathogens in crops. For the above reasons, in the first part of the paper, the structure of the selected analogs was considered, and detailed spectroscopic analyses were conducted focusing on the excited state intramolecular proton transfer (ESIPT) process taking place in the same. Measurements were taken in terms of absorption spectroscopy and electron fluorescence, synchronous spectra, and fluorescence lifetimes, as well as calculations of fluorescence quantum efficiency in selected solvents and concentrations. In the spectral observations, the ESIPT process was manifested in several solvents as very distinct dual fluorescence. Moreover, in selected molecules, this phenomenon was strongly related to molecular aggregation, which was associated with not very efficient but nonetheless visible fluorescence of the AIE (Aggregation-Induced Emission) type. In the second part of the paper, a detailed preliminary study is presented exploring the microbiological properties of selected imino-1,3,4-thiadiazole derivatives in the context of their potential applicability as inhibitors affecting the development and growth of some of the most important fungal pathogens attacking cereal crops and posing an increasing threat to modern agriculture. Overall, the research presented in this article provides a detailed, experimental analysis of the spectroscopic properties of selected imino-thiadiazoles and points to their potential use as novel and effective solutions capable of limiting the growth and development of fungal pathogens in cereals. Full article
(This article belongs to the Section Photochemistry)
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13 pages, 5131 KiB  
Article
Cold Pressed Oil from Japanese Quince Seeds (Chaenomeles japonica): Characterization Using DSC, Spectroscopic, and Monolayer Data
by Wiktoria Kamińska, Grażyna Neunert, Przemysław Siejak, Krzysztof Polewski and Jolanta Tomaszewska-Gras
Molecules 2025, 30(3), 477; https://doi.org/10.3390/molecules30030477 - 22 Jan 2025
Viewed by 819
Abstract
The cold-pressed oil from Japanese quince seeds (JQSO) is notable for its favorable fatty acid profile, low oxidation rate, and bioactive compounds like antioxidants, sterols, and carotenoids. This study offers a detailed molecular-level physical characterization of JQSO and its minor components using differential [...] Read more.
The cold-pressed oil from Japanese quince seeds (JQSO) is notable for its favorable fatty acid profile, low oxidation rate, and bioactive compounds like antioxidants, sterols, and carotenoids. This study offers a detailed molecular-level physical characterization of JQSO and its minor components using differential scanning calorimetry (DSC), Langmuir monolayer studies, and various spectroscopic methods, including UV–vis absorption, fluorescence, and FTIR. DSC analysis identified five peaks related to triglyceride (TG) fractions and provided insights into the melting and crystallization behavior of JQSO. The Langmuir monolayer studies revealed high compressibility, indicative of superior emulsification properties. Viscoelastic modulus measurements suggested strong intermolecular interactions, contributing to the oil’s resilience under stress—an attribute typical of oils high in saturated or monounsaturated fatty acids. Spectroscopic methods confirmed the presence of phenolic acids, tocopherols, carotenoids, and their derivatives. The total fluorescence spectra highlighted prominent peaks at 290 nm/330 nm and 360 nm/440 nm, while the total synchronous fluorescence spectra revealed key excitation–emission regions (10–50 nm/300 nm and 40–140 nm/360 nm), corroborating the presence of tocopherols, phenols, polyphenols, flavones, and carotenoids. No evidence of chlorophyll was detected. The ATR-FTIR spectra validated the presence of fatty acids and triacylglycerols, emphasizing a high degree of esterification and the dominance of unsaturated fatty acids in oil structures. The methods used provided the opportunity to perform a label-free, fast, and reliable determination of the properties of JQSO. The findings confirmed that crude, cold-pressed JQSO retains its valuable bioactive components, aligning with previous research on its chemical and physical properties. Full article
(This article belongs to the Special Issue Analyses and Applications of Phenolic Compounds in Food—2nd Edition)
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10 pages, 2543 KiB  
Article
Geometry Change of 1,3-Dicyanobenzene upon Electronic Excitation from a Franck–Condon Fit of Several Fluorescence Emission Spectra
by Jascha Martini, Simran Amar and Michael Schmitt
Spectrosc. J. 2025, 3(1), 4; https://doi.org/10.3390/spectroscj3010004 - 21 Jan 2025
Viewed by 1045
Abstract
The change in the geometry of 1,3-dicyanobenzene upon electronic excitation to the lowest excited singlet state has been elucidated by simultaneous Franck–Condon (FC) fits of the fluorescence emission spectra originating from the vibrationless origin and from four vibronic bands. The geometry changes obtained [...] Read more.
The change in the geometry of 1,3-dicyanobenzene upon electronic excitation to the lowest excited singlet state has been elucidated by simultaneous Franck–Condon (FC) fits of the fluorescence emission spectra originating from the vibrationless origin and from four vibronic bands. The geometry changes obtained from the FC fits were compared to the results of ab initio calculations at the SCS-CC2/cc-pVTZ level of theory. We found close agreement between the spectral determination and the theoretical prediction of the geometry changes upon excitation. The aromatic ring opens upon excitation, resulting in a symmetrically distorted structure in the excited state. Full article
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Figure 1

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