Soybeans are recognized for their high-quality protein, antioxidant activity, and bioactive phytochemicals. This study evaluated five commercial soy products–soy milk, soy cheese, soy flour, soy ground meat, and soybean sprouts–using spectrophotometric assays (CUPRAC, ABTS, Folin-Ciocalteu, AlCl3/NaNO2) and HPLC, with protein quantified by Lowry and Cu(II)-neocuproine (Nc) methods. Marked variations were found across products. Total antioxidant capacities ranged from 11.54 ± 0.03 to 18.18 ± 0.16 mmol TE 100 g-1 (CUPRAC) and 14.95 ± 0.46 to 21.53 ± 0.10 mmol TE 100 g-1 (ABTS), with soy milk exhibiting the highest ABTS and CUPRAC activities. Phenolic contents varied between 10.51 ± 0.08 and 18.27 ± 0.03 mmol GA 100 g-1, while flavonoids ranged from 5.10 ± 0.11 to 8.85 ± 0.14 mmol CAT 100 g-1. Protein levels were greatest in soy flour (63.02 ± 0.95 g 100 g-1) and soy ground meat (59.40 ± 1.46 g 100 g-1). HPLC revealed product-specific isoflavone distributions: genistin dominated in soy milk and flour, genistein in soy cheese and sprouts, and daidzein in soy ground meat. The main phenolic compound was 4-hydroxybenzoic acid, while rutin predominated in sprouts. This integrated methodology offers a rigorous analytical framework for assessing phytochemical and nutritional diversity in plant-based foods.
Isoindigo-based donor–acceptor small molecules are promising candidates for organic photovoltaic applications because of their strong electron-accepting character and tunable π-conjugated structures. In this work, seven isoindigo-based derivatives bearing phenyl, thiophene, thiophene, benzothiophene, fluorene, carbazole, phenoxazine, and julolidine terminal donor units were computationally designed and investigated using density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. Following a benchmark study, B3PW91/6-31+G(d,p) was selected for the systematic evaluation of structural, electronic, optical, and OPV-related properties. The results indicate that donor modification mainly affects the highest occupied molecular orbital (HOMO) energy, while the lowest unoccupied molecular orbital (LUMO) remains largely localized on the isoindigo acceptor core. Stronger donor units narrowed the electronic gap and induced bathochromic shifts in absorption, but excessive HOMO destabilization decreased the estimated open-circuit voltage from 1.28 to 0.59 V. Among the investigated molecules, the benzothiophene derivative I3 showed the most balanced OPV-related descriptor profile, with λmax = 672.55 nm, f = 1.67, LHE = 0.98, Eb = 0.36 eV, ΔLUMO = 0.64 eV, and an estimated Voc of 1.27 V. In contrast, phenoxazine and julolidine derivatives exhibited more strongly red-shifted absorption maxima at 803 and 838 nm, respectively, but their less favorable voltage-related descriptors and higher exciton binding energies reduced their overall OPV-related descriptor balance. These findings indicate that moderate donor strength is more favorable than excessive electron donation for achieving a balance among absorption, exciton dissociation, and voltage retention in isoindigo-based small-molecule OPV candidates.
Tricyclic antidepressants (TCAs) constitute an important class of psychotropic drugs widely prescribed for major depressive and anxiety disorders. Owing to their narrow therapeutic range and significant toxicity at elevated plasma concentrations, the precise quantification of TCAs in pharmaceutical formulations and biological fluids is essential for therapeutic drug monitoring. Spanning the period from the first electrochemical reports in 1984 to the most recent developments in 2025, this review provides a comprehensive overview of the electrochemical behavior of TCAs, emphasizing structure–reactivity relationships, oxidation mechanisms, and the evolution of electrode materials used for their voltammetric detection. Particular attention is given to advances in noble-metal, carbon-based, polymer-modified, nanocomposite, molecularly imprinted, and biofunctionalized electrodes, as well as emerging hybrid biosensing and microextraction-voltammetry platforms. The review further examines analytical performance relative to conventional techniques and highlights applications in pharmaceutical and biological matrices. Additionally, miniaturization, biocompatibility integration, sustainable sensor design, and machine learning-enhanced voltammetric data analysis have been explored to establish a roadmap for the future clinical translation of the TCA's electrochemical detection approach.
Rare earth elements (REEs), particularly neodymium (Nd) and dysprosium (Dy), are indispensable for permanent magnets, electric vehicles, wind energy technologies, and other advanced energy systems. However, the efficient separation of Nd(III) and Dy(III) remains one of the most persistent challenges in hydrometallurgy because of their closely similar physicochemical properties, strong hydration, and comparable coordination behavior, which fundamentally limit the selectivity of conventional solvent extraction processes. This review critically evaluates recent advances in sustainable Nd(III)/Dy(III) separation by integrating conventional hydrometallurgical principles with emerging green solvent systems, including ionic liquids (ILs) and deep eutectic solvents (DESs), particularly hydrophobic deep eutectic solvents (HDESs). Particular emphasis is placed on the molecular mechanisms governing lanthanide separation, including hydration thermodynamics, interfacial dehydration, ion pairing, hydrogen-bond organization, solvent structuring, and coordination stabilization. Unlike conventional descriptive reviews that primarily summarize extraction efficiencies and solvent compositions, this review proposes a chemistry-guided conceptual framework that interprets Nd(III)/Dy(III) solvent extraction as a sequential and energetically coupled process involving hydration thermodynamics, interfacial dehydration, and coordination chemistry. By explicitly linking solvent structure and molecular-level interactions with macroscopic extraction performance, the proposed framework establishes a unified mechanistic basis for understanding and rationally designing selective Nd(III)/Dy(III) separation across conventional and emerging solvent systems. The review also identifies key knowledge gaps, particularly regarding interfacial energetics, transient coordination processes, solvent structuring effects, and predictive thermodynamic modeling. Finally, future research directions are discussed to support the rational design of environmentally sustainable, mechanism-driven rare-earth separation technologies and the efficient recovery of critical elements from secondary resources.
Arsenic (As) in drinking water is known to cause serious health issues, and point-of-use under-sink filtration systems are commonly used to mitigate arsenic exposure at the domestic level. The arsenic removal performance of a commercially available reverse osmosis (RO)-based under-sink filtration system was assessed using synthetic drinking water samples and inductively coupled plasma mass spectrometry (ICP-MS). Arsenic-contaminated synthetic drinking water samples were filtered in the laboratory and analyzed for arsenic content using ICP-MS. The accuracy of the analytical procedure was confirmed by analyzing certified reference materials, namely Enviromat Wastewater Low (EU-L), NIST SRM 1643f, and UME CRM 1201. The obtained recovery percentages ranged from 97.28% to 100.5%, confirming the accuracy and reliability of the analytical technique. The arsenic removal efficiencies achieved by the filtration system ranged from 97.41% to 98.96%, while effluent concentrations remained below internationally accepted drinking water guideline values. The method detection and quantification limits were found to be 0.028 µg/L (LOD) and 0.095 µg/L (LOQ), respectively, indicating sufficient sensitivity for trace-level arsenic measurement.
In this work, a benzimidazo[1,2-c]quinazoline derivative (3) was synthesized and shown to act as a versatile precursor that can be transformed into a Schiff base upon coordination with Cu(II), yielding the corresponding Cu(II) complex 4b. The influence of this metal coordination on photophysical properties was subsequently investigated. The full characterization data for compound 3 were obtained using MALDI-TOF MS, 1H and 13C NMR (1D and 2D), FT-IR, and elemental analysis. In addition, the crystal structure of 3 was elucidated by the single-crystal X-ray diffraction method for the first time. The structure of Cu(II) complex 4b was proposed and supported by spectroscopic methods (MALDI-TOF MS, FT-IR) and elemental analysis. The photophysical properties of the targeted compounds (3 and 4b) were investigated using UV-Vis and fluorescence spectroscopies in various organic solvents, and their results were compared. In addition, thermogravimetric analyses of compound 3 and Cu(II) complex 4b were performed to evaluate the contribution of metal coordination to thermal stability.
Mathematical expressions are provided for the molar volume, density, molar isentropic compressibility, molar isentropic compression, isobaric molar heat capacity, molar isobaric expansivity, speed of sound, and the acoustic impedance of an ideal solution, as well as expressions for calculating the corresponding excess thermodynamic and physicochemical quantities. The calculation of excess quantities of select thermodynamic properties is discussed, and examples are provided from the published chemical and engineering literature showing common mistakes that authors have made due to calculation errors or an incorrect definition of solution ideality. Methods are provided for several of the thermodynamic quantities considered in this study that will enable researchers to check for internal consistency between calculated excess and partial molar quantities of the individual mixture components.
The use of solventless synthetic methods is becoming important in green chemistry, as they allow the production of synthetic organic molecules in a way that is less environmentally harmful and requires less waste, energy, and impact than traditional solvent-mediated methods. In this review, the recent advances in the use of solventless synthetic routes to prepare monovalent complexes of coinage metals will be discussed. Moreover, the mechanistic information and structure-property relationships derived from solventless reactions compared to those conducted in solution will be highlighted. In addition to a comparison of the reaction pathways, product selectivity and the physical and chemical properties of coinage metal complexes prepared under solventless conditions, a discussion is provided of some of the different approaches that have been employed in the activation of coinage metals under solventless conditions. The various methods employed for solventless activation include microwave activation, photo-activation, thermal activation, activation using solid-gas, co-sublimation, and mechano-chemical grinding. Literature examples of the use of each of these methods will be presented, and a comparative evaluation of these methodologies is also provided. Solventless activation of low-valent coinage metals can be accomplished by the use of properly designed ligands, including phosphines, N-heterocyclic carbenes, and cyclopentadiene-type ligands. This article addresses the impact of the use of these solventless activation methods on the efficiencies, yields, structural diversities, and functional properties of coinage metals, particularly in terms of their use as catalysts and material by-products. Current challenges associated with overall understanding of solventless studies are also discussed, alongside the potential of solventless methodologies in coordination chemistry and the future opportunities for sustainable synthesis of coinage metal complexes.
Several designs have been done using computer software. This scientific research involves applying calculations and designing nano-layer software for eyeglass lenses to protect against ultraviolet rays. Blocking wavelengths below 380 nm was demonstrated by the transmittance curves of the visible and ultraviolet spectra. Multiple design configurations were explored, ranging from single-layer to multi-layer structures. These designs effectively reduced ultraviolet radiation for glass lenses, thereby protecting the human eye. When the vision adopted the reference wavelength (550 nm) and wavelength spectrum (380 nm to 700 nm), these (UV) rays were shielded.
This study presents the first systematic evaluation of 1-aryl-2-nitroethenes as antimicrobial additives in M-11 lubricating oils. A series of nine substituted derivatives (R = H, p-CH₃, p-OCH₃, o/p-F, o/p-Cl, o/p-OH) were synthesized via Henry condensation and characterized by FT-IR, ¹H NMR, and melting point analysis. Antimicrobial efficacy was assessed against Pseudomonas aeruginosa ATCC 27853, Bacillus subtilis ATCC 6633, Aspergillus niger ATCC 16404, and Penicillium chrysogenum ATCC 10106 using GOST 9.052-75 and GOST 9.082-77 protocols (n = 3, ANOVA, p < 0.05). Halogen-substituted derivatives (p-F, o-Cl) demonstrated superior activity (MIC 0.01–0.05% for bacteria; 0.01–0.025% for fungi), outperforming the commercial biocide 1,3-bis(2-hydroxyethyl)-1,3-diazacyclobutane (MIC 0.25–0.5%). Notably, 0.05% additive concentrations preserved the physicochemical properties of M-11 oil over 450 days, whereas untreated oil exhibited significant degradation. These results establish 1-aryl-2-nitroethenes as promising, cost-effective antimicrobial additives for industrial lubricants.
As dopamine is an important neurotransmitter involved in neural signaling and certain diseases, it is crucial to detect it in patients to regulate bodily functions. In this study, novel S-doped, P-doped, and S,P-co-doped graphene oxide pencil graphite electrodes were prepared in a single step via the chronoamperometric method for use in a dopamine sensor. The anodic oxidation potentials of dopamine, uric acid, and caffeine were observed to be distinct from one another in the presence of the others by the fabricated S,P-co-doped GO/PGE. This enables its use as a new electrochemical sensor for the selective determination of DA, UA, and CAF. In a 0.1 M phosphate buffer solution at pH 7.4, the oxidation current increased linearly over the concentration range from 0.01 µM to 0.001 M DA. The limit of detection (LOD) obtained by DPV was 14.5 nM, and the limit of quantification (LOQ) was 48.5 nM. The applicability of the fabricated S,P-co-doped GO/PGE electrode was successfully demonstrated in the determination of DA in commercial pharmaceutical samples. Promising results were observed, with a recovery range of 100–105%, indicating that this could be a valuable platform for developing additional enzyme-free electrochemical sensors.
Heavy metal pollution, including Cu²⁺, Fe³⁺, and Pb²⁺ is a significant environmental concern due to their toxic nature, posing a risk to living organisms and the environment. Adsorption using bentonite as an adsorbent is an efficient approach for removing heavy metal pollutants from water. This study employs three forms of bentonite: natural bentonite, acid-activated bentonite, and acid-thermal activated bentonite. The activation process aims to enhance surface area, porosity, and the number of active sites while removing impurities from the bentonite surface. This research focuses on identifying the optimal pH for heavy metal adsorption using bentonite, and on comparing surface property changes between natural and activated bentonite using SEM-EDX. Adsorption was conducted using a multi-component aqueous solution containing Cu²⁺, Fe³⁺, and Pb²⁺ ions at pH levels of 3, 4, 5, 6, and 7. The findings revealed that acid-activated and acid-thermal activated bentonite exhibited more open and porous surface structures, as well as a greater number of active sites, compared to natural bentonite. Acid-thermal activated bentonite was the most effective adsorbent for removing heavy metals at pH 7 for Cu²⁺ and Pb²⁺. At pH 7, acid-activated bentonite was shown to be the most effective adsorbent for removing Fe³⁺ heavy metal ion.
This study reports the synthesis of new hydralazine-based heterocyclic derivatives (S1–S8), including β-lactam, aza-β-lactam, and quinazoline-4-one derivatives. First, Schiff bases (S1 and S2) were prepared by reacting hydralazine with substituted aromatic aldehydes. These Schiff bases were then cyclized with chloroacetyl chloride, phenyl isocyanate, and anthranilic acid to obtain β-lactam derivatives (S3 and S4), aza-β-lactam derivatives (S5 and S6), and quinazoline-4-one derivatives (S7 and S8), respectively. The synthesized compounds were characterized using FT-IR, ¹H NMR, and ¹³C NMR spectroscopy. In addition, their antioxidant activities were evaluated at three concentrations: 25, 50, and 100 ppm. The results indicated that the synthesized compounds exhibited moderate antioxidant activity, with increased activity at 100 ppm; however, their activities remained lower than that of ascorbic acid used as the standard.
Chalcone derivatives have attracted increasing interest due to their versatile structural features and adjustable electronic properties, making them valuable scaffolds in both medicinal and materials chemistry. This class of compounds forms the central core of important biological molecules due to the presence of an α, β-unsaturated carbonyl system in their structures. Such a structural feature allows electrons to be delocalized within the molecule, giving chalcone derivatives tunable optical and electronic properties. While chalcones are widely known for their diverse biological activities, increasing attention has recently been directed toward their applications in materials science, particularly in optoelectronic technologies. This review summarizes recent developments in the non-biological applications of chalcone derivatives. Brief information on the classical synthesis of chalcones, particularly the Claisen–Schmidt condensation, is also presented. Particular emphasis is placed on the optoelectronic potential of chalcone-based systems for applications such as organic light-emitting diodes (OLEDs), photodiodes (PDs), dye-sensitized solar cells (DSSCs), and nonlinear optical materials (NLOs).
This study describes a multi-step synthetic protocol for constructing a coumarin-based scaffold, subsequently functionalized into a versatile Schiff base intermediate. This precursor served as a foundational unit for synthesizing a series of novel heterocyclic derivatives through five distinct cyclization strategies. A specific derivative was coordinated as a bidentate ligand to yield a novel Cobalt (II) complex (Q11). Comprehensive characterization via molar conductivity and magnetic susceptibility confirmed the formation of a non-electrolytic complex, while FE-SEM analysis revealed its nanostructured nature. Spectroscopic data (µeff = 1.95 B.M.) corroborated a rare low-spin, tetragonally distorted octahedral (D4h) geometry with a (t2g6eg1) geometry for the Cobalt complex. The antimicrobial screening of the synthesized heterocyclic derivatives and the Cobalt(II) complex against Gram-positive Staphylococcus aureus and Gram-negative Klebsiella pneumoniae revealed significant biological potency. Notably, compounds (Q5-Q6) exhibited larger inhibitory zones than the antibiotic control, while the nanostructured complex (Q11) demonstrated superior activity, particularly against the resistant K. pneumoniae strain (22 mm). In addition, molecular docking simulations were performed for these derivatives against bacterial DNA gyrase targets (PDB IDs: 2XCT and 4DX5). The results revealed exceptional binding affinities of -10.6 kcal/mol for Q5 and -10.2 kcal/mol for Q6, significantly outperforming the reference drugs Ciprofloxacin and Ceftriaxone. A high correlation was observed between the in silico binding energies and the in vitro results. These findings, highlighting the superior potency of the nanostructured complex in overcoming diverse membrane barriers of both Gram-positive and Gram-negative bacteria, position this series as a promising candidate for high-surface-area catalysis and advanced biomedical applications.
The Cluster of Differentiation 47 (CD47)–signal regulatory protein alpha (SIRPα) immune checkpoint is a key regulator of tumor immune evasion and a promising target in cancer immunotherapy. To overcome the limitations of monoclonal antibodies, this study aimed to identify high-affinity nucleic acid aptamers targeting CD47. A systematic single-nucleotide mutagenesis workflow was performed on a known CD47-binding DNA aptamer to generate 270 single-point variants, enabling unbiased evaluation of each nucleotide position. The variants were first screened for structural stability, yielding 81 structurally stable candidates. These candidates were then subjected to molecular docking against CD47, and 45 variants showed improved docking scores compared with the native aptamer. The docking score improved from −226.07 for the native aptamer to −301.94 for the best-performing variant. Based on structural stability and docking performance, the ten top-ranked candidates were selected for molecular dynamics simulations. These variants exhibited improved conformational stability, as reflected by lower root-mean-square deviation (RMSD) and root-mean-square fluctuation (RMSF) values and increased hydrogen bonding, with Seq198 and Seq262 showing the most stable profiles. Binding free energy calculations confirmed improved affinity. The native aptamer exhibited a ΔTOTAL of −97.16 kcal/mol, whereas Seq198 (−173.13 kcal/mol), Seq244 (−152.35 kcal/mol), and Seq112 (−147.19 kcal/mol) showed markedly stronger binding. Seq198 emerged as the most promising candidate. These findings demonstrate that systematic computational mutagenesis is an effective strategy for optimizing aptamer performance and identifying high-affinity CD47-targeting candidates.
Oncogenic RAS (rat sarcoma virus) mutations cause approximately 30% of human malignancies and initiate tumorigenesis through an autocrine feedback mechanism involving the COX-2/PGE2 (cyclooxygenase-2/prostaglandin E2) pathway. This study aims to assess the direct binding affinities and molecular interaction mechanisms of 17 distinct selective and semi-selective COX-2 inhibitors (Parecoxib, Cimicoxib, Celecoxib, Polmacoxib, Mavacoxib, Rofecoxib, etc.) with oncogenic KRAS. Molecular docking simulations were performed using the MOE 2020 (Molecular Operating Environment) program. The wild-type KRAS structure (PDB ID: 4OBE) (protein data bank), obtained by X-ray crystallography, was selected as the target protein. The docking scores (S), RMSD (root-mean-square deviation) values, and binding energies of the medicines were evaluated compared to the reference ligands guanosine diphosphate (GDP) (-6.73 kcal/mol) and guanosine triphosphate (GTP) (-6.87 kcal/mol).The docking data indicate that Parecoxib (-5.91 kcal/mol), Cimicoxib (-5.89 kcal/mol), and Celecoxib (-5.88 kcal/mol) demonstrate the highest binding affinity for KRAS oncoproteins. In line with findings from our previous study, the presence of sulfonamide/sulfonyl groups in the molecular structure and the interaction of aromatic rings with Switch I/II pockets were recognized as crucial factors for increased affinity. Additionally, Polmacoxib (-5.44 kcal/mol), which interacts with carbonic anhydrase (CA), has the potential to reduce systemic toxicity and inhibit oncogenic signaling within a more favorable therapeutic window due to its tissue-specific retention properties. Thus, these drugs exhibiting increased docking scores have been validated as potential candidates for multi-targeted anticancer approaches that target mutations considered “drug-untargetable” by affecting RAS signaling networks.
This study presents a cost-effective and sensitive electrochemical sensing platform for effective detection of urea. A screen-printed electrode (SPE) was modified in situ with molecularly imprinted polymers (MIPs) synthesized using urea as the template molecule. Following electropolymerization, the template was removed using an appropriate desorption agent to generate urea-specific recognition sites within the polymer matrix. Electropolymerization was performed in an aqueous solution in which 3-aminophenylboronic acid (APBA) and pyrrole-3-carboxylic acid served as functional monomers and urea acted as the template molecule. A non-imprinted (NIP) sensor was also prepared under the same electropolymerization conditions, except that urea was omitted from the polymerization solution, in order to provide a control sensor without specific recognition sites for urea. The electrochemical performance of the sensors was investigated using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The response difference between MIP and NIP sensors was further evaluated by chronoimpedance measurements. Surface morphology and chemical composition of the modified sensors were characterized by SEM, FTIR, and XPS analyses. The NIP-based sensor exhibited negligible interaction with urea, confirming the specificity of the MIP-modified interface. Subsequently, the analytical performance of the developed sensor was determined through calibration studies. Overall, the results demonstrate that MIP-based sensor provides an efficient approach for urea detection, highlighting its potential as an alternative analytical tool for biomarker-related monitoring applications.
Metal-Organic Frameworks (MOFs), a new class of ultra-high-porosity materials, have shown remarkable scientific and technological progress over the last three decades. The crystalline structure, ultra-high porosity, and internal surface area of MOFs, along with their potential for tailoring their chemical composition, have contributed to the remarkable progress of these materials in materials science. The following review aims to briefly introduce the reader to the basic concept of the construction of MOFs and the methods for synthesizing and characterizing these materials. Additionally, it aims to introduce the reader to the applications of MOFs across different fields and their future potential. The review also aims to introduce the reader to the future perspectives of the application of MOFs in the development of green technology. The application of MOFs in the development of green technology addresses key challenges associated with their use.
Flavonoids are widely known for their significant biological activities; however, their poor aqueous solubility limits their practical applications. Recently, non-covalent loading methods using FDA-approved poly(ethylene glycol) (PEG) have been increasingly explored as simpler and more cost-effective alternatives to covalent conjugation strategies. In our previous work, the feasibility of non-covalent PEG–flavonoid systems was demonstrated as a promising approach to address these limitations. In the present study, non-covalent PEG systems having two structurally distinct flavonoids, quercetin and silibinin, were comparatively investigated to evaluate the combined effect of polymer molecular weight and flavonoid structure on physicochemical behavior. The prepared products were analyzed by UV–Vis spectroscopy for flavonoid content determination, along with FTIR spectroscopy to elucidate molecular interactions between PEG and flavonoids, thermogravimetric analysis (TGA), and particle size measurements. Despite the same loading conditions (1:20, w/w), post-washing behavior suggested a dependence on both flavonoid structure and PEG molecular weight. Silibinin-loaded PEG-2k systems exhibited higher flavonoid retention, smaller particle sizes, and improved thermal stability compared to PEG-5k counterparts suggesting relatively stronger non-covalent interactions within shorter PEG chains. In contrast, quercetin-loaded systems displayed similar flavonoid contents and thermal behavior across different PEG molecular weights, suggesting a lower sensitivity to polymer chain length. Overall, these findings demonstrate that non-covalent PEG–flavonoid systems are governed not only by nominal loading ratios but also by molecular structure and polymer architecture, providing a practical framework for the design of PEG-based carriers for poorly water-soluble bioactive compounds.
