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Keywords = FT-Raman spectroscopy

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25 pages, 5412 KiB  
Article
Non-Invasive Use of Imaging and Portable Spectrometers for On-Site Pigment Identification in Contemporary Watercolors from the Arxiu Valencià del Disseny
by Álvaro Solbes-García, Mirco Ramacciotti, Ester Alba Pagán, Gianni Gallello, María Luisa Vázquez de Ágredos Pascual and Ángel Morales Rubio
Heritage 2025, 8(8), 304; https://doi.org/10.3390/heritage8080304 - 30 Jul 2025
Viewed by 327
Abstract
Imaging techniques have revolutionized cultural heritage analysis, particularly for objects that cannot be sampled. This study investigated the utilization of spectral imaging for the identification of pigments in artifacts from the Arxiu Valencià del Disseny, in conjunction with other portable spectroscopy techniques [...] Read more.
Imaging techniques have revolutionized cultural heritage analysis, particularly for objects that cannot be sampled. This study investigated the utilization of spectral imaging for the identification of pigments in artifacts from the Arxiu Valencià del Disseny, in conjunction with other portable spectroscopy techniques such as XRF, Raman, FT-NIR, and FT-MIR. Four early 1930s watercolors were examined using point-wise elemental and molecular spectroscopic data for pigment classification. Initially, the data cubes obtained with the spectral camera were processed using various methods. The spectral behavior was analyzed pixel-point, and the reflectance curves were qualitatively compared with a set of standards. Subsequently, a computational approach was applied to the data cube to produce RGB, false-color infrared (IRFC), and principal component (PC) images. Algorithms, such as the Vector Angle (VA) mapper, were also employed to map the pigment spectra. Consequently, 19th-century pigments such as Prussian blue, chrome yellow, and alizarin red were distinguished according to their composition, combining the spatial and spectral dimensions of the data. Elemental analysis and infrared spectroscopy supported these findings. In this context, the use of reflectance imaging spectroscopy (RIS), despite its technical limitations, emerged as an essential tool for the documentation and conservation of design heritage. Full article
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13 pages, 1041 KiB  
Article
Synthesis and FT-IR/Raman Characterization of a Graphene Oxide–Methacrylamide Monomer for Dental Applications
by Gennaro Ruggiero, Davide Di Rosa, Francesco Caso, Roberto Sorrentino, Fernando Zarone and Giuseppe Caso
Materials 2025, 18(15), 3550; https://doi.org/10.3390/ma18153550 - 29 Jul 2025
Viewed by 428
Abstract
Background: Graphene oxide (GO) is widely explored as a functional additive in polymer composites; however, its simple physical dispersion in dental resins often leads to poor interfacial stability and limited long-term performance. Covalent functionalization may overcome these limitations by enabling chemical integration into [...] Read more.
Background: Graphene oxide (GO) is widely explored as a functional additive in polymer composites; however, its simple physical dispersion in dental resins often leads to poor interfacial stability and limited long-term performance. Covalent functionalization may overcome these limitations by enabling chemical integration into the polymer matrix. This study presents the synthesis and FT-IR/Raman characterization of GRAPHYMERE®, a novel graphene oxide-based monomer obtained through exfoliation, amine functionalization with 1,6-hexanediamine, and transamidation with methyl methacrylate. Methods: A novel GO-based monomer, GRAPHYMERE®, was synthesized through a three-step process involving GO exfoliation, amine functionalization with 1,6-hexanediamine, and transamidation with methyl methacrylate to introduce polymerizable acrylic groups. The resulting product was characterized using FT-IR and Raman spectroscopy. Results: Spectroscopic analyses confirmed the presence of aliphatic chains and amine functionalities on the GO surface. Although some expected signals were overlapped, the data suggest successful surface modification and partial insertion of methacrylamide groups. The process is straightforward, uses low-toxicity reagents, and avoids complex reaction steps. Conclusions: GRAPHYMERE® represents a chemically modified GO monomer potentially suitable for copolymerization within dental resin matrices. While its structural features support compatibility with radical polymerization systems, further studies are required to assess its mechanical performance and functional properties in dental resin applications. Full article
(This article belongs to the Special Issue Advanced Biomaterials for Medical Applications (2nd Edition))
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25 pages, 4661 KiB  
Article
Detection of Organophosphorus, Pyrethroid, and Carbamate Pesticides in Tomato Peels: A Spectroscopic Study
by Acela López-Benítez, Alfredo Guevara-Lara, Diana Palma-Ramírez, Karen A. Neri-Espinoza, Rebeca Silva-Rodrigo and José A. Andraca-Adame
Foods 2025, 14(14), 2543; https://doi.org/10.3390/foods14142543 - 21 Jul 2025
Viewed by 280
Abstract
Tomatoes are among the most widely consumed and economically significant fruits in the world. However, the extensive use of pesticides in their cultivation has led to the contamination of the peels, posing potential health risks to consumers. As one of the top global [...] Read more.
Tomatoes are among the most widely consumed and economically significant fruits in the world. However, the extensive use of pesticides in their cultivation has led to the contamination of the peels, posing potential health risks to consumers. As one of the top global producers, consumers, and exporters of tomatoes, Mexico requires rapid, non-destructive, and real-time methods for pesticide monitoring. In this study, a detailed characterization of six pesticides using Raman and Fourier Transform Infrared (FT-IR) spectroscopies was carried out to identify their characteristic vibrational modes. The pesticides examined included different chemical classes commonly used in tomato cultivation: organophosphorus (dichlorvos and methamidophos), pyrethroids (lambda-cyhalothrin and cypermethrin), and carbamates (methomyl and benomyl). Tomato peel samples were examined both before and after pesticide application. Prior to treatment, the peel exhibited a well-organized polygonal structure and showed the presence of carotenoid compounds. After pesticide application, no visible structural damage was observed; however, distinct vibrational bands enabled the detection of each pesticide. Organophosphorus pesticides could be identified through vibrational bands associated with P-O and C-S bonds. Pyrethroid detection was facilitated by benzene ring breathing modes and C=C stretching vibrations, while carbamates were identified through C-N stretching contributions. Phytotoxicity testing in the presence of pesticides indicates no significant damage during the germination of tomatoes. Full article
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16 pages, 2052 KiB  
Article
Exploring the Potential of Granite Sawing Sludge from Cuasso Al Monte (Italy) for the Development of Aluminosilicate Gel for a Sustainable Industry
by Sabrina Elettra Zafarana, Alessandro Achilli, Germana Barone, Danilo Bersani, Claudio Finocchiaro, Laura Fornasini, Silvia Portale and Paolo Mazzoleni
Minerals 2025, 15(7), 718; https://doi.org/10.3390/min15070718 - 9 Jul 2025
Viewed by 209
Abstract
This study explores the feasibility of utilizing granite sawing sludge (FC) as a precursor to produce alkali-activated materials (AAMs). To enhance the reactivity of the system, metakaolin (MK) was added and binary mixtures were synthetized. A multidisciplinary approach, including mineralogical, chemical and mechanical [...] Read more.
This study explores the feasibility of utilizing granite sawing sludge (FC) as a precursor to produce alkali-activated materials (AAMs). To enhance the reactivity of the system, metakaolin (MK) was added and binary mixtures were synthetized. A multidisciplinary approach, including mineralogical, chemical and mechanical analysis, was employed to assess the suitability of these precursors to produce AAMs. X-Ray diffraction (XRD) and Fourier-Transform Infrared spectroscopy (FT-IR) confirmed the occurred activation reaction with the consequent increase in the amorphous content. Raman spectroscopy was used to further explore the mineralogical composition of the consolidated specimens, helping in the detection of salts, whose formation is ascribed to secondary carbonatation processes. Morphological analysis (SEM-EDS) displayed relatively uniform microstructures for all specimens. Compressive strength tests revealed that MK rich samples achieved best values compared to FC rich formulations, which exhibited reduced strength resistance. This study highlights, for the first time, the benefits of incorporating Cuasso al Monte granite sawing sludges into alkali-activated binders. Results suggested that the incorporation of FC is recommended for both environmental and economic advantages. Full article
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27 pages, 7247 KiB  
Article
Layered Perovskite La2Ti2O7 Obtained by Sol–Gel Method with Photocatalytic Activity
by Alexandra Ilie, Luminița Predoană, Crina Anastasescu, Silviu Preda, Ioana Silvia Hosu, Ruxandra M. Costescu, Daniela C. Culiță, Veronica Brătan, Ioan Balint and Maria Zaharescu
Appl. Sci. 2025, 15(14), 7665; https://doi.org/10.3390/app15147665 - 8 Jul 2025
Viewed by 312
Abstract
This paper presents the synthesis of La2Ti2O7 nanoparticles by the sol–gel method starting from lanthanum nitrate and titanium alkoxide (noted as LTA). Subsequently, the lanthanum titanium oxide nanoparticles are modified with noble metals (platinum) using the chemical impregnation [...] Read more.
This paper presents the synthesis of La2Ti2O7 nanoparticles by the sol–gel method starting from lanthanum nitrate and titanium alkoxide (noted as LTA). Subsequently, the lanthanum titanium oxide nanoparticles are modified with noble metals (platinum) using the chemical impregnation method, followed by a reduction process with NaBH4. The comparative analysis of the structure and surface characteristics of the nanopowders subjected to thermal treatment at 900 °C is conducted using Fourier transform infrared spectroscopy (FT-IR), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM), X-ray diffraction (XRD), X-ray fluorescence (XRF), ultraviolet-visible (UV–Vis) spectroscopy, as well as specific surface area and porosity measurements. The photocatalytic activity is evaluated in the oxidative photodegradation of ethanol (CH3CH2OH) under simulated solar irradiation. The modified sample shows higher specific surfaces areas and improved photocatalytic properties, proving the better conversion of CH3CH2OH than the pure sample. The highest conversion of ethanol (29.75%) is obtained in the case of LTA-Pt after 3 h of simulated solar light irradiation. Full article
(This article belongs to the Special Issue Application of Nanomaterials in the Field of Photocatalysis)
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27 pages, 5697 KiB  
Review
Optical Non-Invasive Glucose Monitoring Using Aqueous Humor: A Review
by Haolan Xi and Yiqing Gong
Sensors 2025, 25(13), 4236; https://doi.org/10.3390/s25134236 - 7 Jul 2025
Viewed by 765
Abstract
This review explores optical technologies for non-invasive glucose monitoring (NIGM) using aqueous humor (AH) as media, addressing the limitations of traditional invasive methods in diabetes management. It analyzes key techniques such as Raman spectroscopy, polarimetry, and mid- and near-infrared spectral methods, highlighting their [...] Read more.
This review explores optical technologies for non-invasive glucose monitoring (NIGM) using aqueous humor (AH) as media, addressing the limitations of traditional invasive methods in diabetes management. It analyzes key techniques such as Raman spectroscopy, polarimetry, and mid- and near-infrared spectral methods, highlighting their respective challenges, alongside emerging hybrid approaches like photoacoustic spectroscopy and optical coherence tomography. Crucially, the practical realization of these optical methods for portable NIGM hinges on advanced instrumentation. Therefore, this review also details progress in compact NIR spectrometers. While conventional systems often lack suitability, significant advancements in on-chip technologies—including miniaturized dispersive spectrometers and various on-chip Fourier transform systems (e.g., spatial heterodyne, stationary wave integral, and temporally modulated FT systems)—utilizing integration platforms like SOI and SiN are promising. Such innovations offer the potential for high spectral resolution, large bandwidth, and miniaturization, which are essential for developing practical AH-based NIGM systems to improve diabetes care. Full article
(This article belongs to the Special Issue Advances in Miniaturization and Power Efficiency of Optical Sensors)
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19 pages, 7364 KiB  
Article
Sustainable Sugarcane Bagasse-Derived Activated Carbon for High-Performance Symmetric Supercapacitor Devices Applications
by Perumal Rajivgandhi, Vediyappan Thirumal, Alagan Sekar and Jinho Kim
Nanomaterials 2025, 15(13), 1028; https://doi.org/10.3390/nano15131028 - 2 Jul 2025
Viewed by 388
Abstract
In this study, sugarcane bagasse (SCB), an abundant agricultural byproduct, was transformed into activated carbon via a controlled thermochemical pyrolysis route for high-performance energy storage applications. Herein, we utilized the activated carbon derived from pure sugarcane bagasse (SCB-AC) and further activated using KOH [...] Read more.
In this study, sugarcane bagasse (SCB), an abundant agricultural byproduct, was transformed into activated carbon via a controlled thermochemical pyrolysis route for high-performance energy storage applications. Herein, we utilized the activated carbon derived from pure sugarcane bagasse (SCB-AC) and further activated using KOH (SCB-KOH-AC) as an electrode material in aqueous symmetric supercapacitor configurations. The synthesized activated carbon was subjected to analysis using a range of characteristics including FT-Raman spectroscopy, which was employed to confirm the functional groups present in the carbon materials. The XPS analysis provided insights into the elemental composition and ionic states. The SEM analysis revealed that both activated carbon and KOH/activated carbon materials exhibited a layered or stacked, albeit slightly random, orientation. Electrochemical studies demonstrated that the synthesized carbon electrodes exhibited impressive specific capacitance values of (SCB) activated carbon (132.20 F/g) and KOH-activated, pure SCB AC (SCB-A) 253.41 F/g at 0.5 A/g. Furthermore, the SCB KOH-activated carbon (AC) electrode revealed a higher specific capacitance value and A//SCB-A symmetric devices delivered energy density reaching 17.91 Wh/kg and power density up to 2990 W/kg. The KOH-activated carbon electrode demonstrated remarkable cycling stability retaining 93.89%, even after 10,000 cycles. These results suggest that the sugarcane bagasse-derived activated carbon is a sustainable and low-cost candidate for next-generation supercapacitor electrodes. The results demonstrate enhanced capacitance, stability, and pore structure tailored for energy storage applications. The KOH-activated carbon SCB carbon symmetric device with symmetric electrodes exhibited a suitable bio-mass carbon for future energy storage applications. Full article
(This article belongs to the Section Energy and Catalysis)
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16 pages, 6879 KiB  
Article
Heteropolyacid-Based Poly(Ionic Liquid) Catalyst for Ultra-Deep and Recyclable Oxidative Desulfurization of Fuels
by Mengyue Chen, Tianqi Huang, Shuang Tong, Chao Wang and Ming Zhang
Catalysts 2025, 15(7), 622; https://doi.org/10.3390/catal15070622 - 24 Jun 2025
Viewed by 407
Abstract
To address the challenge of ultra-deep desulfurization in fuels, a series of heteropolyacid-based poly(ionic liquid) catalysts (C4-PIL@PW, C8-PIL@PW, and C16-PIL@PW) were synthesized via radical polymerization and anion exchange methods. The prepared catalysts were characterized via FT-IR, XRD pattern, and Raman spectroscopy. Optimal reaction [...] Read more.
To address the challenge of ultra-deep desulfurization in fuels, a series of heteropolyacid-based poly(ionic liquid) catalysts (C4-PIL@PW, C8-PIL@PW, and C16-PIL@PW) were synthesized via radical polymerization and anion exchange methods. The prepared catalysts were characterized via FT-IR, XRD pattern, and Raman spectroscopy. Optimal reaction parameters (e.g., temperature, catalyst dosage, and O/S molar ratio) were systematically investigated, as well as the catalytic mechanism. The typical sample C8-PIL@PW exhibited exceptional oxidative desulfurization (ODS) performance, achieving a sulfur removal of 99.2% for dibenzothiophene (DBT) without any organic solvent as extractant. Remarkably, the sulfur removal could still retain 89% after recycling five times without regeneration. This study provides a sustainable and high-efficiency catalyst for ODS, offering insights into fuel purification strategies. Full article
(This article belongs to the Special Issue Ionic Liquids and Deep Eutectic Solvents in Catalysis)
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22 pages, 6344 KiB  
Article
Tailoring the Properties of Magnetite/PLA Nanocomposites: A Composition-Dependent Study
by Mariana Martins de Melo Barbosa, Juliene Oliveira Campos de França, Quezia dos Santos Lima, Sílvia Cláudia Loureiro Dias, Carlos A. Vilca Huayhua, Fermín F. H. Aragón, José A. H. Coaquira and José Alves Dias
Polymers 2025, 17(12), 1713; https://doi.org/10.3390/polym17121713 - 19 Jun 2025
Viewed by 580
Abstract
This study focused on composites of magnetite magnetic nanoparticles (MNP) and poly(lactic acid) (PLA) prepared via sonochemical synthesis. The evaluation of MNP loadings (2, 5, 10, 15, and 20 wt.%) provided insights into the structural and reactivity properties of the materials. Methods used [...] Read more.
This study focused on composites of magnetite magnetic nanoparticles (MNP) and poly(lactic acid) (PLA) prepared via sonochemical synthesis. The evaluation of MNP loadings (2, 5, 10, 15, and 20 wt.%) provided insights into the structural and reactivity properties of the materials. Methods used included XRD, FT-IR and Raman spectroscopy, SEM and TEM microscopy, textural and thermal analysis (TG and DTA), and magnetic property measurements. The agreement between theoretical and experimental MNP loadings was good. XRD patterns showed predominantly MNP and semicrystalline phases, with a minor maghemite phase detected by FT-Raman and magnetic measurements. FT-IR analysis revealed interactions between MNP and PLA, confirmed by thermal analysis showing higher transition temperatures for the composites (145 °C) compared to pure PLA (139 °C). FT-Raman spectra also indicated that PLA helps prevent iron oxide oxidation, enhancing nanoparticle stability. SEM and TEM micrographs showed well-dispersed, spherical nanoparticles with minimal agglomeration, dependent on MNP loading. The nanocomposites exhibited low N2 adsorption, resulting in low surface area (~2.1 m2/g) and porosity (~0.03 cm3/g). Magnetic analysis indicated that in the 2MNP/PLA sample, MNP were in a superparamagnetic-like regime at 300 K, suggesting good dispersion of 2 wt.% MNP in the PLA matrix. Full article
(This article belongs to the Special Issue Recent Advances and Applications of Polymer Nanocomposites)
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30 pages, 4630 KiB  
Article
Moderate-Temperature Carbon Capture Using Thermally Pre-Treated Dolomite: A Novel Approach
by Iyiade G. Alalade, Javier E. Morales-Mendoza, Alma B. Jasso-Salcedo, Jorge L. Domínguez-Arvizu, Blanca C. Hernández-Majalca, Hammed A. Salami, José L. Bueno-Escobedo, Luz I. Ibarra-Rodriguez, Alejandro López-Ortiz and Virginia H. Collins-Martínez
C 2025, 11(2), 37; https://doi.org/10.3390/c11020037 - 5 Jun 2025
Viewed by 1935
Abstract
This study investigates a novel approach to moderate-temperature carbon capture by examining the enhanced performance of thermally pre-treated dolomite. To obtain mixed oxides, dolomite samples were prepared via calcination in a quartz cylindrical furnace under an ambient atmosphere at 900 °C, and subsequently [...] Read more.
This study investigates a novel approach to moderate-temperature carbon capture by examining the enhanced performance of thermally pre-treated dolomite. To obtain mixed oxides, dolomite samples were prepared via calcination in a quartz cylindrical furnace under an ambient atmosphere at 900 °C, and subsequently thermally pre-treated under an inert (argon) stream at 650 °C. Characterization of the as-prepared samples involved morphological, structural, textural, and optical features examined through XRD, BET, SEM-EDS, FT-IR, and RAMAN, XPS, and UV-vis spectroscopy, whereas TGA and subsequent multicyclic tests were used to study the CO2 sorption. The dolomite sample calcined at 900 °C for 60 min, and after being activated under an inert atmosphere (argon), labeled PCD60Act, exhibited the highest CO2 uptake of 0.477 gCO2/gsorbent; after 15 sorption–regeneration cycles, it still retained a CO2 uptake of 0.38 gCO2/gsorbent at 650 °C, and it was also successfully regenerated at this moderate temperature, demonstrating 84% capture capacity retention. These remarkable results are explained by the crystalline defects generated during the thermal pre-treatments of the dolomite. This research offers valuable perspectives on the viability of employing thermally pre-treated dolomite as an inexpensive, thermally stable, and moderate-temperature regenerable CaO-based sorbent for applications in CO2 removal in the context of integrated carbon capture and conversion (ICCC) for the production of high-purity hydrogen. Full article
(This article belongs to the Section Carbon Cycle, Capture and Storage)
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16 pages, 5111 KiB  
Article
One-Pot Synthesis of Magnetic Core-Shell Fe3O4@C Nanospheres with Pt Nanoparticle Immobilization for Catalytic Hydrogenation of Nitroarenes
by Jun Qiao, Yang Gao, Kai Zheng, Chao Shen, Aiquan Jia and Qianfeng Zhang
Appl. Sci. 2025, 15(10), 5773; https://doi.org/10.3390/app15105773 - 21 May 2025
Viewed by 553
Abstract
Magnetic materials with intriguing structural and functional modifications demonstrate broad application potential in various fields, including drug delivery, absorption, extraction, separation, and catalysis. In particular, the catalytic hydrogenation of functionalized organic nitro compounds represents a significant research focus in contemporary catalysis studies. A [...] Read more.
Magnetic materials with intriguing structural and functional modifications demonstrate broad application potential in various fields, including drug delivery, absorption, extraction, separation, and catalysis. In particular, the catalytic hydrogenation of functionalized organic nitro compounds represents a significant research focus in contemporary catalysis studies. A facile synthesis of Fe3O4@C–Pt core-shell nanocatalysts was developed in this work through a sequential process involving (1) one-pot hydrothermal synthesis followed by N2-annealing to obtain the Fe3O4@C core and (2) subsequent solvothermal deposition of platinum nanoparticles. Comprehensive characterization was performed using FT-IR, XRD, Raman spectroscopy, TEM, XPS, BET surface area analysis, TGA, and VSM techniques. The resulting magnetic nanocatalysts exhibited uniformly dispersed Pt nanoparticles and demonstrated exceptional catalytic performance in nitroarene hydrogenation reactions. Remarkably, the system showed excellent functional group tolerance across all 20 substituted nitroarenes, consistently yielding corresponding aromatic amine products with >93% conversion efficiency. Furthermore, the magnetic responsiveness of Fe3O4@C–Pt enabled convenient catalyst recovery through simple magnetic separation, with maintained catalytic activity over 10 consecutive reuse cycles without significant performance degradation. Full article
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15 pages, 5448 KiB  
Article
Disposable Electrochemical Serotonin Biosensor Based on the Nanocomposite of Carbon Nanotubes
by Ryang-Hyeon Kim, Won-Yong Jeon, Tae-Won Seo and Young-Bong Choi
Chemosensors 2025, 13(5), 185; https://doi.org/10.3390/chemosensors13050185 - 16 May 2025
Viewed by 786
Abstract
A PAAc-PVI(4:1)@MWCNT hybrid was synthesized for the selective electrochemical detection of serotonin. Multi-walled carbon nanotubes (MWCNT) enhanced electrode conductivity, while the hydrophilic polymer Poly(Acrylic Acid-co-Vinyl imidazole) (PAAc-PVI) facilitated serotonin recognition. At pH 7.4, the carboxyl (-COO) groups in PAAc-PVI interacted with [...] Read more.
A PAAc-PVI(4:1)@MWCNT hybrid was synthesized for the selective electrochemical detection of serotonin. Multi-walled carbon nanotubes (MWCNT) enhanced electrode conductivity, while the hydrophilic polymer Poly(Acrylic Acid-co-Vinyl imidazole) (PAAc-PVI) facilitated serotonin recognition. At pH 7.4, the carboxyl (-COO) groups in PAAc-PVI interacted with the amine (-NH3+) groups of serotonin, enabling oxidation and electron transfer for signal detection. Additionally, π-π interactions between vinylimidazole and MWCNT improved dispersion and stability. The hybrid materials enhanced electron transfer efficiency, increasing sensitivity and reliability. Structural and electrochemical properties were characterized using FT-IR, HR-TEM, TGA, Raman spectroscopy, impedance analysis, and differential pulse voltammetry (DPV). Serotonin detection using the fabricated electrode demonstrated high selectivity (LOD 0.077 μM and LOQ 0.26 μM), reproducibility (%RSD 1X PBS condition (4.63%) and human serum condition (4.81%)), and quantitative capability (dynamic range 1.2 μM to 10.07 μM) without interference (potential shift from +0.40 V to −0.15 V) from blood-based substances, confirming its potential for electrochemical biosensing applications. Full article
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21 pages, 18854 KiB  
Article
Raman and FT-IR Spectroscopy Coupled with Machine Learning for the Discrimination of Different Vegetable Crop Seed Varieties
by Stefan M. Kolašinac, Marko Mladenović, Ilinka Pećinar, Ivan Šoštarić, Viktor Nedović, Vladimir Miladinović and Zora P. Dajić Stevanović
Plants 2025, 14(9), 1304; https://doi.org/10.3390/plants14091304 - 25 Apr 2025
Cited by 1 | Viewed by 637
Abstract
The aim of this research is to investigate the potential of Raman and FT-IR spectroscopy as well as mathematical linear and non-linear models as a tool for the discrimination of different seed varieties of paprika, tomato, and lettuce species. After visual inspection of [...] Read more.
The aim of this research is to investigate the potential of Raman and FT-IR spectroscopy as well as mathematical linear and non-linear models as a tool for the discrimination of different seed varieties of paprika, tomato, and lettuce species. After visual inspection of spectra, pre-processing was applied in the following combinations: (1) smoothing + linear baseline correction + unit vector normalization; (2) smoothing + linear baseline correction + unit vector normalization + full multiplicative scatter correction; (3) smoothing + baseline correction + unit vector normalization + second-order derivative. Pre-processing was followed by Principal Component Analysis (PCA), and several classification methods were applied after that: the Support Vector Machines (SVM) algorithm, Partial Least Square Discriminant Analysis (PLS-DA), and Principal Component Analysis-Quadratic Discriminant Analysis (PCA-QDA). SVM showed the best classification power in both Raman (100.00, 99.37, and 92.71% for lettuce, paprika, and tomato varieties, respectively) and FT-IR spectroscopy (99.37, 92.50, and 97.50% for lettuce, paprika, and tomato varieties, respectively). Moreover, our novel approach of merging Raman and FT-IR spectra significantly contributed to the accuracy of some models, giving results of 100.00, 100.00, and 95.00% for lettuce, tomato, and paprika varieties, respectively. Our results indicate that Raman and FT-IR spectroscopy coupled with machine learning could be a promising tool for the rapid and rational evaluation and management of genetic resources in ex situ and in situ seed collections. Full article
(This article belongs to the Section Plant Modeling)
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19 pages, 7720 KiB  
Article
A Novel Fe(III)-Complex with 1,10-Phenanthroline and Succinate Ligands: Structure, Intermolecular Interactions, and Spectroscopic and Thermal Properties for Engineering Applications
by Danilo Gualberto Zavarize, João G. de Oliveira Neto, Kamila Rodrigues Abreu, Alejandro Pedro Ayala, Francisco Ferreira de Sousa and Adenilson Oliveira dos Santos
Processes 2025, 13(5), 1267; https://doi.org/10.3390/pr13051267 - 22 Apr 2025
Viewed by 742
Abstract
A new complex, tetrakis(1,10-phenanthroline)-bis(succinate)-(µ₂-oxo)-bis(iron(III)) nonahydrate, [Fe2(Phen)4(Succinate)2(μ-O)](H2O)9, was synthesized using the slow evaporation method. This study provides a comprehensive characterization of this coordination compound, focusing on its structural, spectroscopic, and thermal properties, which are [...] Read more.
A new complex, tetrakis(1,10-phenanthroline)-bis(succinate)-(µ₂-oxo)-bis(iron(III)) nonahydrate, [Fe2(Phen)4(Succinate)2(μ-O)](H2O)9, was synthesized using the slow evaporation method. This study provides a comprehensive characterization of this coordination compound, focusing on its structural, spectroscopic, and thermal properties, which are relevant for applications in catalysis, material science, and chemical engineering processes. Single-crystal X-ray diffraction (XRD), Raman spectroscopy, Fourier-transform infrared (FT-IR), ultraviolet-visible (UV-Vis) spectroscopy, and thermoanalytical analyses were employed to investigate the material properties. Intermolecular interactions were further explored through Hirshfeld surface analysis. XRD results revealed a monoclinic crystal system with the C2/c space group, lattice parameters: a = 12.7772(10) Å, b = 23.0786(15) Å, c = 18.9982(13) Å, β = 93.047(2)°, V = 5594.27(7) Å3, and four formulas per unit cell (Z = 4). The crystal packing is stabilized by C–H⋯O, C–O⋯H, C–H⋯π, and π⋯π intermolecular interactions, as confirmed by vibrational spectroscopy. The heteroleptic coordination environment, combining weak- and strong-field ligands, results in a low-spin state with an estimated crystal field stabilization energy of −4.73 eV. Electronic properties indicate direct allowed transitions (γ = 2) with a maximum optical band gap of 2.66 eV, suggesting potential applications in optoelectronics and photochemical processes. Thermal analysis demonstrated good stability within the 25–136 °C range, with three main stages of thermal decomposition, highlighting its potential for use in high-temperature processes. These findings contribute to the understanding of Fe(III)-based complexes and their prospects in advanced material design, catalytic systems, and process optimization. Full article
(This article belongs to the Special Issue Transport and Energy Conversion at the Nanoscale and Molecular Scale)
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28 pages, 5357 KiB  
Article
The Characterization and Antioxidant and Erythroprotective Effects of β-Carotene Complexed in β-Cyclodextrin
by Andrés Leobardo Puebla-Duarte, Ariadna Thalía Bernal-Mercado, Irela Santos-Sauceda, Mónica Acosta-Elias, Daniel Fernández-Quiroz, Silvia Elena Burruel-Ibarra, José de Jesús Ornelas-Paz, Ingrid Daniela Pérez-Cabral, Francisco Rodríguez-Félix, Rey David Iturralde-García, Miguel Ángel Robles-García, José Agustín Tapia-Hernández, Ricardo Iván González-Vega and Carmen Lizette Del-Toro-Sánchez
Int. J. Mol. Sci. 2025, 26(8), 3902; https://doi.org/10.3390/ijms26083902 - 20 Apr 2025
Cited by 1 | Viewed by 759
Abstract
β-carotene (β-C) is a hydrophobic compound, easily degradable by light and oxygen and with low solubility, limiting its applications. β-cyclodextrin (β-CD) can encapsulate β-C, protecting it from degradation and maintaining its bioactivity. Therefore, this research aimed to characterize and determine the antioxidant and [...] Read more.
β-carotene (β-C) is a hydrophobic compound, easily degradable by light and oxygen and with low solubility, limiting its applications. β-cyclodextrin (β-CD) can encapsulate β-C, protecting it from degradation and maintaining its bioactivity. Therefore, this research aimed to characterize and determine the antioxidant and erythroprotective activity of β-C/β-CD inclusion complexes. The co-precipitation technique was used to elaborate β-C/β-CD in a 40:60 ratio, obtaining a high yield (94.10%), an entrapment efficiency of 82.47%, and a loading efficiency of 11.92%. The moisture of β-C/β-CD was 2.93%. β-C release increased over the time of 216 h (80.8%, 92.8%, and 97.4% at 8 °C, 25 °C, and 37 °C, respectively). A UV–visible analysis confirmed the presence of β-carotene in the inclusion complex, indicating successful encapsulation without significant structural changes. According to the adsorption–desorption isotherms, the complexes showed a type II isotherm. The FT-IR and Raman spectroscopy confirmed the formation of the inclusion complex, which interacted by hydrogen bonds, hydrophobic interactions, or van der Waals forces. The DSC showed an endothermic peak at 118 °C in the β-C/β:CD. The TGA revealed reduced water loss in the β-carotene/β-cyclodextrin complex, indicating limited water binding due to encapsulation. The microscopic surface morphologies observed by the SEM of β-C/β-CD were irregular-shaped clumps in the surface with a particle average size of 8.09 µm. The X-ray diffraction showed a crystalline structure of the complex. The zeta potential determination indicated a negative charge (−23 and −32 mV). The ABTS, DPPH, and FRAP demonstrated the antioxidant activity of β-C/β:CD (34.09%, 21.73%, and 8.85. mM ET/g, respectively), similar to pure β-C (34.64%, 22.63%, and 9.12 μM ET/g, respectively). The complexes showed an erythroprotective effect inhibiting hemolysis (64.09%). Therefore, with these characteristics, β-CD is a good encapsulant for β-C, and this complex could be applied in the food and pharmaceutical industries. Full article
(This article belongs to the Special Issue Current Research on Bioactives from Natural Products)
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