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Keywords = complex-forming reaction

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19 pages, 7100 KB  
Article
Cement-Induced Alkaline Environment on Organic Soil: Deterioration, Compensation, and the Microstructure-Mechanical Property Relationship
by Yongfei Zhang, Jing Cao, Dequan Song, Lingyi Zhang, Song Lan and Siyang Huang
Appl. Sci. 2026, 16(9), 4324; https://doi.org/10.3390/app16094324 - 29 Apr 2026
Abstract
In the cement-based stabilization of organic soil, the alkaline environment produced by cement hydration dissolves organic matter from the soil skeleton while simultaneously promoting the precipitation of neophases. This study investigates the coupled effects of structural deterioration and neophase compensation on the microstructural [...] Read more.
In the cement-based stabilization of organic soil, the alkaline environment produced by cement hydration dissolves organic matter from the soil skeleton while simultaneously promoting the precipitation of neophases. This study investigates the coupled effects of structural deterioration and neophase compensation on the microstructural and mechanical properties of organic soil. Organic soil was treated with an alkaline Ca(OH)2 solution (pH = 12.0) utilizing a model testing apparatus over an 80-day duration. Consolidation and permeability tests were combined with microstructural analyses (FTIR, XRD, and SEM-EDS) to elucidate the fundamental mechanisms. The results show that humus acid in organic soil was dissolved in an alkaline environment, significantly enlarging soil pores and forming interconnected dissolution channels. Consequently, the permeability coefficient and additional settlement increased by 49.21% and 18.07%, respectively, compared to the pristine soil samples. Concurrently, within the OH-and Ca2+-rich environment, clay minerals underwent a pozzolanic reaction, generating C-(A)S-H gels. Dissolved humus acid formed complexes with Ca2+ ions. While these formed neophases provide microstructural compensation for the organic soil, their compensatory effect is limited. These findings provide a critical theoretical framework for understanding the coupled deterioration–compensation mechanisms, which is essential for optimizing engineering design and promoting the long-term durability of alkaline-reinforced organic geotechnical environments. Full article
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24 pages, 3556 KB  
Review
An Integrated Review of Conventional and Emerging Diagnostic and Therapeutic Modalities to Reduce the Risk of Surgical Resections in Intestinal Tuberculosis
by Khalid Alyahyawi
Diagnostics 2026, 16(9), 1332; https://doi.org/10.3390/diagnostics16091332 - 29 Apr 2026
Abstract
Intestinal tuberculosis (ITB) is a complex form of extrapulmonary tuberculosis characterized by nonspecific gastrointestinal symptoms and substantial overlap with conditions such as Crohn’s disease and gastrointestinal malignancies. These similarities frequently lead to diagnostic uncertainty, delayed diagnosis, and inappropriate management. This systematic review summarizes [...] Read more.
Intestinal tuberculosis (ITB) is a complex form of extrapulmonary tuberculosis characterized by nonspecific gastrointestinal symptoms and substantial overlap with conditions such as Crohn’s disease and gastrointestinal malignancies. These similarities frequently lead to diagnostic uncertainty, delayed diagnosis, and inappropriate management. This systematic review summarizes current evidence on the clinical presentation, diagnostic approaches, and therapeutic strategies for ITB, with particular emphasis on emerging diagnostic technologies and their role in reducing surgical interventions. A systematic literature search was conducted using PubMed, Scopus, and Google Scholar following PRISMA guidelines to identify relevant studies published from 2000 to 2025. The review focused on clinical manifestations, imaging findings, endoscopic features, histopathological characteristics, molecular diagnostics, pharmacological therapy, and minimally invasive therapeutic interventions. Accurate diagnosis requires an integrated approach combining clinical assessment with imaging, endoscopic evaluation, and histopathological confirmation. Molecular techniques such as GeneXpert MTB/RIF and GeneXpert MTB/RIF Ultra and multiplex polymerase chain reaction assays improve diagnostic accuracy and shorten detection time. Emerging technologies including artificial intelligence-assisted radiologic interpretation and CRISPR-based stool sequencing platforms show promise for earlier detection. Standard anti-tubercular therapy remains the cornerstone of treatment, while minimally invasive endoscopic and surgical procedures are effective for managing complications such as strictures, obstruction, and perforation. Early and precise diagnosis of intestinal tuberculosis is essential to prevent complications and optimize patient outcomes. Integrating conventional diagnostic approaches with emerging molecular and artificial intelligence-based technologies may enhance diagnostic precision and support individualized treatment strategies. Further ITB-specific clinical studies are needed to validate novel diagnostic tools and refine therapeutic approaches for improved patient care. Full article
(This article belongs to the Special Issue Abdominal Diseases: Diagnosis, Treatment and Management—2nd Edition)
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22 pages, 15671 KB  
Article
Adsorption of Oxytetracycline Hydrochloride by Iron-Doped Sodium Alginate Gel Composite Biochar Microspheres: Performance and Mechanism
by Rong Chen, Jianlin Zhou, Weiyin Liu, Renjian Deng, Lingling Wang, Xin Lu, Zhang Chen, Guoliang Chen and Zhixian Li
Gels 2026, 12(5), 360; https://doi.org/10.3390/gels12050360 - 26 Apr 2026
Viewed by 199
Abstract
Conventional powdered biochar encounters severe bottlenecks in practical water treatment, such as difficult separation, easy loss, and potential secondary pollution. This work aimed to develop recyclable and high-performance adsorbents by preparing iron-doped biochar/sodium alginate composite microspheres (BC/MBC500-ALF) through Fe3+ cross-linking. Using corn [...] Read more.
Conventional powdered biochar encounters severe bottlenecks in practical water treatment, such as difficult separation, easy loss, and potential secondary pollution. This work aimed to develop recyclable and high-performance adsorbents by preparing iron-doped biochar/sodium alginate composite microspheres (BC/MBC500-ALF) through Fe3+ cross-linking. Using corn stalk biochar and KMnO4-modified biochar as adsorbent components and sodium alginate (SA) as a green shaping matrix, SA formed a stable egg-box hydrogel network to convert powdered biochar into uniform microspheres. Batch adsorption experiments revealed that the optimal pH for oxytetracycline (OTC) adsorption was 9, with adsorption capacities of 136.28 mg/g for BC500-ALF and 182.91 mg/g for MBC500-ALF. Kinetic analysis showed that BC500-ALF followed pseudo-first-order kinetics (R2 = 0.983) dominated by physisorption, while MBC500-ALF fitted pseudo-second-order kinetics (R2 = 0.994) dominated by chemisorption. The maximum Langmuir adsorption capacities at 308 K were 220.75 mg/g and 495.05 mg/g, respectively. Thermodynamic parameters confirmed a spontaneous and endothermic process. The adsorption mechanisms involved hydrogen bonding, π–π stacking, electrostatic attraction, metal-bridging complexation, and Fe–Mn oxide-mediated redox reactions. SA exerted dual functions in structure stabilization and adsorption enhancement. This composite provides an efficient and eco-friendly approach for tetracycline antibiotic pollution control in aqueous environments. Full article
(This article belongs to the Special Issue Research on Gel Materials for Wastewater Treatment)
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23 pages, 2975 KB  
Article
The Structure of Zinc Chelidonate in the Crystalline Phase, Aqueous Solution and Assessment of the Interaction with Serum Albumin
by Stanislav Kozin, Victor Dotsenko, Nicolay Aksenov, Alexandr Bespalov, Alexandr Kravtsov, Oksana Lyasota, Anna Dorohova, Viacheslav Kindop, Sergei Bobrovnik, Arkady Moiseev, Lev Ivashchenko, Evgeny Gerasimenko, Tran Quang Huy and Stepan Dzhimak
Molecules 2026, 31(9), 1378; https://doi.org/10.3390/molecules31091378 - 22 Apr 2026
Viewed by 345
Abstract
A zinc complex of chelidonic acid (4-oxo-4H-pyran-2,6-dicarboxylic acid) was obtained by reaction with zinc oxide under isothermal conditions. Its composition was confirmed by elemental and thermogravimetric analyses, and its molecular structure was characterized using NMR and IR spectroscopy. Single-crystal X-ray diffraction revealed that [...] Read more.
A zinc complex of chelidonic acid (4-oxo-4H-pyran-2,6-dicarboxylic acid) was obtained by reaction with zinc oxide under isothermal conditions. Its composition was confirmed by elemental and thermogravimetric analyses, and its molecular structure was characterized using NMR and IR spectroscopy. Single-crystal X-ray diffraction revealed that the complex crystallizes as a one-dimensional coordination polymer, [ZnChel(H2O)4]n, in the triclinic space group P-1, featuring a distorted octahedral Zn(II) center coordinated by two chelidonate ligands and four water molecules. This six-coordinate arrangement contrasts with previously described tetra-coordinated Zn–chelidonate complexes. Quantum-chemical calculations and molecular dynamics simulations indicated that, in aqueous solution, Zn(II) preferentially forms a monodentate ZnChel(H2O)5 species, consistent with the solid-state coordination environment. The interaction of the complex with bovine serum albumin (BSA) was examined by fluorescence, UV–Vis absorption, and circular dichroism spectroscopy, revealing a mixed static–dynamic quenching mechanism, moderate binding affinity, and hydrogen-bonding/van der Waals contributions accompanied by alterations in BSA secondary structure. These results expand the structural chemistry of chelidonic acid and provide biophysical insight into the protein-binding behavior of zinc chelidonate, supporting its potential relevance as a zinc-based bioactive compound. Full article
(This article belongs to the Special Issue Synthesis, Modification and Application of Heterocyclic Compounds)
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22 pages, 5365 KB  
Article
Design, Performance and Mechanisms of Asphalt Modified with Polyurethane and Hydroxylated Crumb Rubber
by Jun Xie, Junpeng Lin, Shaopeng Wu, Quantao Liu, Chao Li, Shibo Zhang, Huan Wang, Fusong Wang and Zoujun Wan
Materials 2026, 19(8), 1654; https://doi.org/10.3390/ma19081654 - 21 Apr 2026
Viewed by 263
Abstract
Under long-term heavy load and complex service environments, polyurethane-modified asphalt (PUMA) struggles to simultaneously satisfy the requirements of rutting and cracking resistance of asphalt pavements, as cyclic stress loading reduces the elastic recovery and low-temperature toughness of polyurethane (PU). To address this issue, [...] Read more.
Under long-term heavy load and complex service environments, polyurethane-modified asphalt (PUMA) struggles to simultaneously satisfy the requirements of rutting and cracking resistance of asphalt pavements, as cyclic stress loading reduces the elastic recovery and low-temperature toughness of polyurethane (PU). To address this issue, this study employed hydroxylated crumb rubber (HCR), which is obtained by activating the surface of crumb rubber (CR) and can chemically crosslink with PU in asphalt to form a crosslinked network structure. The aim was to enhance the rutting and cracking resistance of PUMA by utilizing the elasticity and low-temperature toughness of CR. An orthogonal design was employed to systematically design a modified asphalt formulation with PU and HCR (PU/HCRMA) by controlling the isocyanate index and the contents of PU and HCR. The basic properties, rheological properties, and viscoelastic properties of PU/HCRMA were systematically investigated. The results demonstrate that the rutting and cracking resistance of PU/HCRMA are substantially enhanced, with an improvement of 28.91% in the rutting factor at 64 °C compared to PUMA and a reduction of 49.93 MPa in the stiffness modulus at −24 °C. Simultaneously, incorporating HCR in PUMA enhances its viscosity and flow resistance while reducing temperature susceptibility. Furthermore, by providing load-bearing sites, HCR endows PU/HCRMA with exceptional elastic recovery and deformation resistance. Results from FTIR and FM confirm the reaction between isocyanate groups in the PU prepolymer and the hydroxyl groups on the surface of HCR and the formation of HCR-PU crosslinked networks. Finally, PU/HCRMA asphalt mixtures demonstrate significant improvements in both rutting and cracking resistance. This research outcome provides a new direction for the development of high-performance road asphalt materials. Full article
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19 pages, 5392 KB  
Article
Melanin-Inspired Biomimetic Strategy for Preserving Adhesion of Lubricants via Thiol-Quinone Addition
by Xiao Song, Chao Mei, Yinna Wu, Dan He, Junwei Zhu, Qi Chen, Jiaxin Guo, Zhengwei Zhao, Tonghui Xie and Wenbin Liu
Biomimetics 2026, 11(4), 269; https://doi.org/10.3390/biomimetics11040269 - 14 Apr 2026
Viewed by 293
Abstract
Lubricants are essential for water-based drilling fluids. Catechol-based lubricants provide improved lubrication performance owing to their strong adhesion ability through the formation of coordination bonds inspired by mussel adhesion. However, the conventional synthetic ester and amide lubricants suffer from loss of adhesive capability [...] Read more.
Lubricants are essential for water-based drilling fluids. Catechol-based lubricants provide improved lubrication performance owing to their strong adhesion ability through the formation of coordination bonds inspired by mussel adhesion. However, the conventional synthetic ester and amide lubricants suffer from loss of adhesive capability due to hydrolysis and autoxidation. Inspired by mussels and melanin biosynthesis, a biomimetic strategy was developed to synthesize a high-adhesion lubricant with good stability via thiol-quinone Michael addition to restore and stabilize the catechol moiety. Bisphenol A was oxidized to the corresponding quinone using 2-iodoxybenzoic acid. Subsequent Michael addition reaction with 1-octadecanethiol produced a thiol-functionalized lubricant containing catechol moieties and long alkyl chains through an S-catecholyl linkage. Biomimetic principles were incorporated into both the molecular structure and the synthetic route, emulating the structural and functional features of mussel adhesion and melanin biosynthesis. Octadecanethiol provided sulfur-containing extreme-pressure functionality and contributed to strong adsorption on metal surfaces. The molecular structure was confirmed by FTIR, 1H NMR, and 13C NMR. The thiol-functionalized lubricant formed strong coordination with Fe3+ and Fe2+ ions across a wide pH range, with an apparent complexation stoichiometry of 1:1 and conditional stability constants of 4.09 and 5.02, respectively. Bis-coordination formed a cross-linking network. It exhibited good resistance toward autoxidation and thermal stability up to 350 °C. In bentonite-based drilling fluids, the extreme pressure lubrication coefficient and adhesion coefficient at a 1% addition were 0.06 and 0.07, respectively. The coefficient of friction and wear scar diameter were 0.09 and 0.63 mm, respectively. The increased contact angle confirmed strong adsorption of the lubricant on metal surfaces. The lubricant combined strong adhesion, high stability, and excellent compatibility with drilling fluids, highlighting its potential as an advanced biomimetic lubricant. This biomimetic thiol-quinone addition strategy provides an effective approach to overcome the instability of conventional catechol-based lubricants. Full article
(This article belongs to the Special Issue Advances in Biomimetics: 10th Anniversary)
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33 pages, 4066 KB  
Article
Woody Plant Life-Form Structure Reflects Major Ecological Gradients Within a Protected Temperate Ecosystem from Romania
by Madalina Iordache, Catalina Marinescu, Mihai Valentin Herbei, Ioan Gaica, Daniel Dicu and Nicoleta Ianovici
Plants 2026, 15(8), 1194; https://doi.org/10.3390/plants15081194 - 13 Apr 2026
Viewed by 524
Abstract
This study, conducted in the Cheile Nerei–Beușnița National Park (southwestern Romania), tested the hypothesis that the life-form structure of woody plants reflects the main ecological gradients of moisture, temperature, and soil reaction in a temperate protected ecosystem characterised by sub-Mediterranean influences and a [...] Read more.
This study, conducted in the Cheile Nerei–Beușnița National Park (southwestern Romania), tested the hypothesis that the life-form structure of woody plants reflects the main ecological gradients of moisture, temperature, and soil reaction in a temperate protected ecosystem characterised by sub-Mediterranean influences and a predominantly calcareous substrate. The analysis focused on the woody flora of the area, comprising 64 species belonging to 22 families, and included the assessment of life-form structure, phytogeographical spectrum, and ecological preferences based on Ellenberg indicator values. Life forms were classified according to Raunkiaer’s system, identifying megaphanerophytes, mesophanerophytes, and nanophanerophytes. The woody flora was dominated by nanophanerophytes, followed by megaphanerophytes and mesophanerophytes, indicating a complex vertical structure. The phytogeographical spectrum showed a predominance of European elements, alongside Eurasian and sub-Mediterranean components. Ecological analysis revealed a dominance of mesophilous and mesothermal species, consistent with mesic and temperate environmental conditions. Soil reaction preferences were mainly basiphilous and neutrophilous, reflecting the calcareous substrate, with vertical differentiation of ecological niches between tree and shrub layers. The high proportion of native species (>90%) and the limited presence of alien taxa indicate a high level of ecological integrity and resistance to biological invasions. Overall, the results demonstrate that the structure of woody plant life forms and their ecological preferences accurately reflect the main ecological gradients of the ecosystem. The combined use of life-form spectra and ecological indicator values provides a useful framework for assessing ecosystem structure, stability, and conservation status in temperate protected areas. Full article
(This article belongs to the Section Plant Ecology)
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17 pages, 4774 KB  
Article
Comparative Analysis of Cold-Mercury Gilding and Traditional Mercury Gilding: Technical Characteristics, Divergence, and Interrelation
by Yanbing Shao, Junchang Yang, Yao Jia and Na Wei
Coatings 2026, 16(4), 431; https://doi.org/10.3390/coatings16040431 - 3 Apr 2026
Viewed by 385
Abstract
Cold-mercury gilding uses mercury as an adhesive to bond gold foil onto the surface of copper and silver artifacts. This technique and mercury gilding (fire gilding) both belong to the Au-Hg system and are closely related in technology. Clarifying the technical differences between [...] Read more.
Cold-mercury gilding uses mercury as an adhesive to bond gold foil onto the surface of copper and silver artifacts. This technique and mercury gilding (fire gilding) both belong to the Au-Hg system and are closely related in technology. Clarifying the technical differences between them is of great significance for revealing the developmental sequence of ancient gilding technologies. On the basis of reconstructing traditional fire gilding, simulated cold-mercury-gilded samples were successfully prepared using experimental archeological methods, and multi-scale characterization was performed using SEM-EDS, XRD, and XPS. The results show that the surface of cold-mercury-gilded samples displays a micromorphology of folded and overlapped gold foil accompanied by locally dense particle aggregation. The cross-section of the gold layer exhibits a multilayer stacked structure, in which mercury is enriched at the gold layer/substrate interface and forms an AuHgCu/Ag diffusion layer. Room-temperature-stable Au-Hg and Ag-Hg phases such as Au2Hg and AgHg are present in the gold layer, reflecting complex phase transformation behavior of the Au-Hg/Ag-Hg system at room temperature. During cold-mercury gilding, liquid mercury first adheres to the gold foil, and then interdiffusion and phase reactions occur between mercury, gold, and copper/silver atoms at room temperature. Intermetallic compounds and diffusion layers formed at the interface achieve firm bonding between the gold layer and the substrate. Both cold-mercury gilding and mercury gilding achieve metallurgical bonding through atomic interdiffusion. However, affected by differences in the initial state of mercury and operating temperature, the phase transformation and atomic diffusion behaviors of the system differ significantly, which are ultimately reflected in the cross-sectional structure of the gold layer, the composition of the interfacial diffusion layer, and the types of phases. Therefore, mercury-gilded artifacts show superior gold layer durability and bonding strength with the substrate compared with cold-mercury-gilded artifacts. Both techniques pioneered the application of mercury in metallic gilding and represent important innovations in ancient surface decoration technology. Full article
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12 pages, 3127 KB  
Article
Stabilizing the Sealing Performance of EPDM by the Incorporation of a ZIF-8 Network
by Jiahui Chen, Qian Peng, Huadong Liu, Xingtao Xiao, Xiaotao Fu, Hanlin Wen, Zhicheng Huang, Fangqiang Wang and Xiaoliang Zeng
Polymers 2026, 18(7), 874; https://doi.org/10.3390/polym18070874 - 2 Apr 2026
Viewed by 529
Abstract
Ethylene–propylene–diene monomer rubber (EPDM) is commonly used as a gas-tight sealing material in electrical equipment. Factors such as media exposure, thermal oxidative stress, and abrasion frequently cause deterioration of EPDM’s mechanical properties, significantly compromising the reliability of electrical equipment. Traditional activator ZnO provides [...] Read more.
Ethylene–propylene–diene monomer rubber (EPDM) is commonly used as a gas-tight sealing material in electrical equipment. Factors such as media exposure, thermal oxidative stress, and abrasion frequently cause deterioration of EPDM’s mechanical properties, significantly compromising the reliability of electrical equipment. Traditional activator ZnO provides limited enhancement to the properties of EPDM. The reaction between Zn2+ on the surface of zinc oxide interacts with the accelerator during curing of rubber, forming zinc chelates, which interact with sulfur to form zinc polysulfide complexes. But the release of zinc complexes has adverse effects on humans and ecosystems. To reduce ZnO usage and further improve the performance of EPDM in terms of mechanical properties and aging resistance, zeolitic imidazolate framework-8 (ZIF-8) is developed as a multifunctional additive in this work. Mechanical testing demonstrates that the incorporation of ZIF-8 enhances the mechanical performance and resistance to thermal oxidative aging of EPDM. Crosslink density testing, FTIR, and XPS show that ZIF-8 promotes the crosslinking reaction during rubber curing, resulting in improved mechanical performance for EPDM. Analysis of crosslinking density testing and SEM images shows that EPDM-ZIF-8 composite exhibits a slower increase in crosslinking density during thermal oxidative aging. TGA results indicate that ZIF-8 enhances the thermal stability of EPDM, which leads to improved aging resistance properties. This study provides new insights for the design and development of rubber composite materials, offering a reliable solution to the challenge of seal failure in electrical equipment. Full article
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17 pages, 1335 KB  
Article
Origin of the High Variability in Sol–Gel Phase Transitions: The Agar Gelation Model
by Claudia Spoliti, Raimondo De Cristofaro and Enrico Di Stasio
Gels 2026, 12(4), 304; https://doi.org/10.3390/gels12040304 - 2 Apr 2026
Viewed by 377
Abstract
Sol–gel phase transitions are complex far-from-equilibrium processes characterized by limited reproducibility, whose origin remains poorly understood and rarely quantified. We investigated the thermally induced sol–gel transition of agar using turbidimetry. A phenomenological model was applied to extract key kinetic parameters (maximum absorbance, maximum [...] Read more.
Sol–gel phase transitions are complex far-from-equilibrium processes characterized by limited reproducibility, whose origin remains poorly understood and rarely quantified. We investigated the thermally induced sol–gel transition of agar using turbidimetry. A phenomenological model was applied to extract key kinetic parameters (maximum absorbance, maximum rate, and characteristic times) from 96 independent replicates. Variability was quantified and compared with that of an enzymatic reaction exhibiting similar sigmoidal kinetics, allowing for separation of experimental, intrinsic, and nonergodic contributions. Agar gelation displays markedly higher variability. The total variability (CV ≈ 16%) exceeds both the experimental error (1–2%) and the nonergodic contribution (≈2%), demonstrating that it predominantly arises from intrinsic process dynamics. Variability increases sharply during early stages of gelation and then evolves more gradually, indicating that stochastic nucleation and network formation pathways drive divergent kinetic trajectories despite identical initial conditions. Variability in gelation is therefore not a measurement artifact but an intrinsic hallmark of the sol–gel transition. This inherent stochasticity limits the predictive power of deterministic models, particularly at meso- and microscopic scales, and should be considered a fundamental feature of gel-forming systems. Our approach provides a quantitative framework for characterizing variability in phase transitions and may be extended to more complex biological and soft matter systems. Full article
(This article belongs to the Section Gel Chemistry and Physics)
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10 pages, 2300 KB  
Article
Synthesis and Structure of a Mononuclear Palladium(I) Complex and Its Catalytic Activity for Suzuki–Miyaura Cross-Coupling Reaction by Immobilizing on SBA-15
by Chong Chen, Tian-Tian Sun, Xin-Ya Zhou, Mei-Feng Chen and Qian-Feng Zhang
Crystals 2026, 16(4), 235; https://doi.org/10.3390/cryst16040235 - 1 Apr 2026
Viewed by 449
Abstract
Treatment of palladium precursor Pd(PPh3)Cl2 with equivalent arylfluorodithiophosphato ligand [PPh4][(4-EtO-C6H4)FPS2] in chloroform at reflux resulted in a mononuclear palladium(I)–sulfur complex cis-[Pd(PPh3)2{κ2-S,S′ [...] Read more.
Treatment of palladium precursor Pd(PPh3)Cl2 with equivalent arylfluorodithiophosphato ligand [PPh4][(4-EtO-C6H4)FPS2] in chloroform at reflux resulted in a mononuclear palladium(I)–sulfur complex cis-[Pd(PPh3)2{κ2-S,S′-(4-EtO-C6H4)FPS2}]. This complex was characterized by UV-Vis and IR spectroscopic analysis, thermogravimetric analysis, and XPS analysis, and its molecular structure has been established by single-crystal X-ray diffraction. SBA-15, as a mesoporous material, was selected as a mesoporous silica substrate to further form a homogeneous catalyst, Pd@SBA-15, which has been characterized by IR spectroscopy, electron microscope and N2 adsorption–desorption test. In addition, the catalytic activity of Pd@SBA-15 for the Suzuki–Miyaura cross-coupling reaction was also investigated. Full article
(This article belongs to the Section Inorganic Crystalline Materials)
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18 pages, 482 KB  
Article
Quantitative Analysis of Substituent Effects in Cu(II) and Co(II) Benzimidazole Complexes: Stability Constants Determined via Acetate-Mediated Synthesis and Benesi–Hildebrand Method Correlated with Hammett σ Parameters
by Zoltán Köntös, Flóra Stedra and Viktória Ngo Hang
Chemistry 2026, 8(4), 42; https://doi.org/10.3390/chemistry8040042 - 31 Mar 2026
Viewed by 367
Abstract
This study presents a quantitative investigation of substituent effects on the stability of 1:2 complexes formed between para-substituted 2-phenylbenzimidazole ligands and Cu(II) or Co(II) ions. The ligands, featuring hydroxyl (–OH), chloro (–Cl), and nitro (–NO2) substituents, were synthesized via copper acetate-mediated [...] Read more.
This study presents a quantitative investigation of substituent effects on the stability of 1:2 complexes formed between para-substituted 2-phenylbenzimidazole ligands and Cu(II) or Co(II) ions. The ligands, featuring hydroxyl (–OH), chloro (–Cl), and nitro (–NO2) substituents, were synthesized via copper acetate-mediated oxidative cyclization. Stability constants (log K) were determined spectrophotometrically using both the Benesi–Hildebrand and Job methods, which yielded perfectly consistent results and confirmed ML2 stoichiometry. For both metal series, the stability decreases in the order –OH > –Cl > –NO2. Excellent linear correlations were obtained between log K and Hammett σ constants, yielding reaction constants of ρ = −0.79 for Cu(II) and ρ = −1.00 for Co(II). These negative ρ values confirm that electron-donating substituents enhance complex stability by increasing electron density on the donor nitrogen. Furthermore, the stability constants for Cu(II) complexes are approximately two orders of magnitude higher than those for Co(II), in agreement with the Irving–Williams series. This work establishes a clear, predictive structure–stability relationship and validates the combined methodological approach for quantifying metal–ligand interactions in tunable benzimidazole systems. Full article
(This article belongs to the Section Molecular Organics)
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16 pages, 740 KB  
Article
Mathematically Exact Non-Square-Integrable Solutions in Schrödinger-Equivalent Diffusion Dynamics
by László Mátyás and Imre Ferenc Barna
Mathematics 2026, 14(7), 1162; https://doi.org/10.3390/math14071162 - 31 Mar 2026
Viewed by 387
Abstract
We analyze the spherically symmetric complex diffusion and special type of the complex reaction–diffusion equations. These equations are form invariant to the free Schrödinger equations and to the Schrödinger equations with power-law space-dependent potentials. Our new type of solutions are important because we [...] Read more.
We analyze the spherically symmetric complex diffusion and special type of the complex reaction–diffusion equations. These equations are form invariant to the free Schrödinger equations and to the Schrödinger equations with power-law space-dependent potentials. Our new type of solutions are important because we found a new realm of solutions which lie between the solutions of the classical regular diffusion equation and the usual quantum mechanical solutions of the Schrödinger equation. As the solution method, we applied the the self-similar Ansatz, which reduces the original partial differential equation (PDE) to an ordinary differential equation (ODE) which can be solved analytically. The self-similar Ansatz couples the spatial and temporal variables together instead of the usual separation which has to be used in ordinary quantum mechanics for time-independent Hamiltonian. For the complex diffusion equation—without any additional source term—the solutions are the Kummer’s M and Kummer’s U functions. For some parameter values we found L2 integrability, as in the Cartesian case. We interpret that this property can be a “quantum mechanical heritage” and can be a far relation to ordinary quantum mechanics. Therefore, in this sense, our solutions might have quantum mechanical interest in the future. For the complex reaction–diffusion-type equation we derived the Whittaker M and Whittaker W functions as solutions. These solutions have no L2 integrability at all. All derived solutions have complex quadratic arguments. These kind of analytic solutions are new and cannot be found in the existing scientific literature. Finally, the role of the complex angular momentum was investigated as well. Full article
(This article belongs to the Special Issue Special Functions with Applications)
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22 pages, 2237 KB  
Article
TPP-TimeNet: A Time-Aware AI Framework for Robust Abnormality Detection in Bioprocess Monitoring
by Hye-Kyeong Ko
Appl. Sci. 2026, 16(7), 3295; https://doi.org/10.3390/app16073295 - 28 Mar 2026
Viewed by 383
Abstract
Temporal monitoring of bioprocesses is inherently complex because process variables do not evolve independently over time, and their interpretation changes as the reaction progresses. In many existing abnormality detection methods, sensor signals are analyzed at isolated time points or temporal characteristics are only [...] Read more.
Temporal monitoring of bioprocesses is inherently complex because process variables do not evolve independently over time, and their interpretation changes as the reaction progresses. In many existing abnormality detection methods, sensor signals are analyzed at isolated time points or temporal characteristics are only weakly reflected through model structures. As a result, such approaches struggle to explain or detect abnormal behavior that emerges differently across reaction states. This study proposes TPP-TimeNet, a time-aware artificial intelligence framework developed to improve abnormality detection in bioprocess monitoring. Unlike conventional methods, the proposed framework explicitly incorporates reaction time as contextual information. Multivariate process signals are reorganized into sliding windows that reflect reaction-state transitions rather than uniform time segmentation. Temporal behavior inside each window is captured using a sequential encoding model, and reaction-state information is subsequently integrated to form state-dependent representations. Through this design, the model can distinguish between temporal patterns that are similar in shape but occur at different points in the reaction timeline. This capability leads to improved sensitivity to abnormal events that may otherwise remain undetected. Abnormality is evaluated at the window level using a probabilistic scoring scheme with a fixed threshold, enabling consistent and reproducible decision-making. The performance of TPP-TimeNet was evaluated using publicly available process control datasets from Kaggle. The datasets were reinterpreted in a bioprocess context by mapping variables such as temperature, pH, and pressure. Experimental results show that the proposed method outperforms traditional machine learning models as well as deep learning approaches that focus only on temporal features, achieving higher accuracy, sensitivity, and F1-score. These findings suggest that incorporating explicit reaction-state awareness is essential for effective abnormality detection in bioprocess monitoring systems. Full article
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21 pages, 5003 KB  
Article
Retarding Effect and Hydration Mechanism of Sodium Polyacrylate on Magnesium Potassium Phosphate Cement
by Yunpeng Cui, Runqing Liu, Yuanquan Yang, Bo Pang and Yihe Wang
Materials 2026, 19(7), 1349; https://doi.org/10.3390/ma19071349 - 28 Mar 2026
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Abstract
Magnesium phosphate cement (MPC) is a type of rapid-hardening inorganic cementitious material, which has important application value in rapid road repair, solidification of hazardous and radioactive waste, and other fields. However, it suffers from excessively fast setting and hardening and a short working [...] Read more.
Magnesium phosphate cement (MPC) is a type of rapid-hardening inorganic cementitious material, which has important application value in rapid road repair, solidification of hazardous and radioactive waste, and other fields. However, it suffers from excessively fast setting and hardening and a short working time retention, which severely restrict its engineering application. Therefore, the development of high-efficiency set retarders is of great significance for optimizing MPC performance, enhancing its construction workability, and expanding its application scope. In this study, the effect of sodium polyacrylate (PAAS) on the setting and hardening of magnesium potassium phosphate cement (MKPC) was investigated by testing the setting time and fluidity at a low water-to-solid ratio (W/S = 0.18). Through pH and electrical conductivity measurements, combined with XRD, TG/DTG, and FTIR characterizations, we elucidated the retarding mechanism of PAAS on MKPC using a high water-to-solid ratio (W/S = 10). The results indicate that the setting time of MKPC is positively correlated with the PAAS dosage, whereas the fluidity and compressive strength exhibited a negative correlation with the PAAS dosage. Additionally, PAAS reduces the total heat release and the heat release rate of MKPC. The addition of PAAS increased the pH of the suspension, thereby reducing the solubility of MgO, but did not inhibit the dissolution of KH2PO4. The carboxylate groups in PAAS chemically reacted with Mg2+ on the surface of MgO to form magnesium carboxylate complexes (Mg-PAA), which remained as precipitates in the MKPC suspension system, thus reducing the amount of available Mg2+ participating in the hydration reaction. Furthermore, PAAS had no effect on the final precipitate composition at the end of hydration, which was composed of MgKPO4·6H2O and Mg3(PO4)2·22H2O in all cases. Full article
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