Sign in to use this feature.

Years

Between: -

Subjects

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Journals

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Article Types

Countries / Regions

remove_circle_outline
remove_circle_outline
remove_circle_outline
remove_circle_outline

Search Results (365)

Search Parameters:
Keywords = multi-step synthesis

Order results
Result details
Results per page
Select all
Export citation of selected articles as:
18 pages, 3338 KB  
Article
Honey-Stabilized Alginate Nanoparticles Derived from Sargassum: Synthesis, Physicochemical Characterization and Colloidal Stability
by Hannia A. Ramírez-Lara, Ashley J. Gutierrez-Onofre, René Salgado-Delgado, Areli Marlén Salgado-Delgado, Iliana C. Martínez-Ortíz, Nahomi Y. Degollado-Hernández, Igor Garcia-Atutxa and Francisca Villanueva-Flores
Polymers 2026, 18(8), 996; https://doi.org/10.3390/polym18080996 - 20 Apr 2026
Abstract
Massive pelagic Sargassum influxes along Caribbean coasts have created an urgent need for valorization routes for this biomass. Here, sodium alginate was extracted from Sargassum fluitans collected at Chuburná Beach, Yucatán, Mexico, using a multistep extraction involving 0.2% formaldehyde pretreatment at 4 °C [...] Read more.
Massive pelagic Sargassum influxes along Caribbean coasts have created an urgent need for valorization routes for this biomass. Here, sodium alginate was extracted from Sargassum fluitans collected at Chuburná Beach, Yucatán, Mexico, using a multistep extraction involving 0.2% formaldehyde pretreatment at 4 °C and brief heating at 65–70 °C, and subsequently used to prepare calcium-crosslinked alginate nanoparticles by ionotropic gelation. To our knowledge, this is the first direct synthesis of alginate nanoparticles from non-commercial alginate extracted from pelagic S. fluitans. An extraction yield of 18.7 ± 0.05% (mean ± SD, n = 3) was obtained, and UV–Vis, FTIR, and NMR analyses confirmed the characteristic structural features of alginate. 1H NMR revealed an M-rich composition (F_M = 0.61, F_G = 0.39; M/G = 1.54) with short guluronate blocks (N_G>1 = 2.42), whereas 13C NMR corroborated the presence of both β-D-mannuronic and α-L-guluronic acid residues. SEM images showed predominantly spherical-to-subspherical nanoparticles with representative dry diameters of 233–269 nm, whereas DLS measurements at 0, 24, and 72 h revealed a dominant volume-based nanoscale population with main peaks at 12.75–15.31 nm and PDI values of 0.229–0.291, indicating reasonable short-term colloidal stability at room temperature. These results demonstrate that pelagic S. fluitans can serve as a viable feedstock for the production of structurally preserved alginate and calcium-crosslinked alginate nanoparticles. The study supports converting recurrent Sargassum biomass into higher-value polysaccharide-based materials and provides a basis for future application-specific evaluation of these nanomaterials. Full article
(This article belongs to the Section Biobased and Biodegradable Polymers)
Show Figures

Graphical abstract

19 pages, 6056 KB  
Article
A Novel Pressure-Assisted Induction Melting Technique for Synthesis of Lightweight High-Entropy Alloys: A Concept, Process Development and Hardware Design
by Peter Newcombe and Frank Czerwinski
Materials 2026, 19(8), 1588; https://doi.org/10.3390/ma19081588 - 15 Apr 2026
Viewed by 287
Abstract
Lightweight high-entropy alloys are primarily designed to overcome the strength-to-density ratio limitations of conventional counterparts and often consist of elements with drastically different melting temperature and vapor pressure. Their chemistry, therefore, imposes challenges on alloy synthesis, particularly through liquid metal engineering routes, since [...] Read more.
Lightweight high-entropy alloys are primarily designed to overcome the strength-to-density ratio limitations of conventional counterparts and often consist of elements with drastically different melting temperature and vapor pressure. Their chemistry, therefore, imposes challenges on alloy synthesis, particularly through liquid metal engineering routes, since elements with high vapor pressure (e.g., Mg, Zn, Li) vaporize before the higher-melting-point ingredients (e.g., Cu, V, Ni) are fully molten, resulting in volatile element loss. To overcome this challenge, a novel pressure-assisted induction melting (PAIM) process was developed and the proprietary furnace for its implementation was designed and built. The system allows precision melting of up to 10 cm3 of an alloy at temperatures up to 1700 °C while addressing the partial pressure requirements during the melting progress. The chamber is prepared using rough vacuum and re-filled with inert gas such as argon with the operating pressure range from about 10−4 MPa up to maximum of 1.6 MPa (233 psi). The alloy chemical composition can be modified in situ by feeding solid additives at specific melting stages through the isolated airlock without disrupting the pressure conditions within the chamber. The viability of the concept was verified by synthesis of two lightweight non-equimolar high-entropy alloys: Mg-rich Mg50(MnAlZnCu)50 and Al-rich Al35Mg30Si13Zn10Y7Ca5. The experiments showed that sequential multi-step melting procedures, designed based on inputs from FactSage computational analysis, when combined with PAIM synthesis, allowed manufacturing fully dense and chemically homogenous complex alloy compositions with optimal volumes for materials discovery research. Full article
(This article belongs to the Section Metals and Alloys)
Show Figures

Graphical abstract

24 pages, 1584 KB  
Review
From Dialogue Systems to Autonomous Agents: A Modeling Framework for Ethical Generative AI in Healthcare
by James C. L. Chow and Kay Li
Information 2026, 17(4), 361; https://doi.org/10.3390/info17040361 - 9 Apr 2026
Viewed by 504
Abstract
The advancement of generative artificial intelligence (GAI) in healthcare is driving a transition from dialogue-based medical chatbots to workflow-embedded clinical AI agents. These agentic systems incorporate persistent state management, coordinated tool invocation, and bounded autonomy, enabling multi-step reasoning within institutional processes. As a [...] Read more.
The advancement of generative artificial intelligence (GAI) in healthcare is driving a transition from dialogue-based medical chatbots to workflow-embedded clinical AI agents. These agentic systems incorporate persistent state management, coordinated tool invocation, and bounded autonomy, enabling multi-step reasoning within institutional processes. As a result, traditional response-level evaluation frameworks are insufficient for understanding system behavior. This review provides a conceptual synthesis of the evolution from conversational systems to agentic architectures and proposes a system-level modeling framework for ethical clinical AI agents. We identify core architectural dimensions, including autonomy gradients, state persistence, tool orchestration, workflow coupling, and human–AI co-agency, and examine how these features reshape bias propagation pathways, error cascade dynamics, trust calibration, and accountability structures. Emphasizing that ethical risks emerge from longitudinal system interactions rather than isolated outputs, we argue for embedding fairness constraints, transparency mechanisms, and lifecycle governance directly within AI design. By outlining trajectory-level evaluation strategies, equity-aware development approaches, collaborative oversight models, and adaptive regulatory frameworks, this paper establishes a foundation for the responsible and trustworthy integration of agentic AI in healthcare. Full article
(This article belongs to the Special Issue Modeling in the Era of Generative AI)
Show Figures

Graphical abstract

23 pages, 3026 KB  
Article
3D NiMnCo Electrocatalysts with Cauliflower Curd-Shaped Microspherical Morphology for an Efficient and Sustainable HER in Alkaline Freshwater/Seawater Media
by Sukomol Barua, Aldona Balčiūnaitė, Daina Upskuvienė, Jūrate Vaičiūnienė, Loreta Tamašauskaitė-Tamašiūnaitė and Eugenijus Norkus
Coatings 2026, 16(4), 450; https://doi.org/10.3390/coatings16040450 - 8 Apr 2026
Viewed by 542
Abstract
Electrocatalytic seawater splitting is an ideal strategy for the large-scale production of green hydrogen. Compared to scarce freshwater, oceanic seawater electrolysis represents a game-changer for the hydrogen economy. Herein, we report a cost-effective one-step synthesis of binder-free, self-supported 3D nickel–manganese–cobalt (NiMnCo) coatings on [...] Read more.
Electrocatalytic seawater splitting is an ideal strategy for the large-scale production of green hydrogen. Compared to scarce freshwater, oceanic seawater electrolysis represents a game-changer for the hydrogen economy. Herein, we report a cost-effective one-step synthesis of binder-free, self-supported 3D nickel–manganese–cobalt (NiMnCo) coatings on titanium (Ti) substrates and evaluated their electrocatalytic performance for the hydrogen evolution reactions (HERs) in alkaline media (1.0 M KOH), simulated seawater (SSW, 1.0 M KOH + 0.5 M NaCl) and alkaline natural seawater (ASW, 1.0 M KOH + natural seawater). These ternary coatings were electrodeposited on Ti substrates using an electrochemical deposition method via a dynamic hydrogen bubble template (DHBT) technique. The optimized ternary NiMnCo/Ti-2 electrocatalyst exhibited an enhanced HER activity in both alkaline and seawater media, achieving an ultra-low overpotential of 29, 59 and 66 mV to reach the benchmark current density of 10 mA cm−2 in SSW, ASW and 1.0 M KOH, respectively. This efficient 3D ternary NiMnCo/Ti-2 electrocatalyst demonstrated stable long-term performance at a constant potential of −0.23 V (vs. RHE) and a constant current density of 10 mA cm−2 for 50 h without any significant degradation. Furthermore, it exhibited long-term stability in alkaline electrolyte and simulated seawater during multi-step chronopotentiometric testing at variable current densities from 20 mA cm−2 to 100 mA cm−2 for 18 h. This superior performance can be attributed to its unique intermetallic structure and multi-component composition, which provides good Cl resistance, electrochemical stability and synergistic effects among its constituents. Therefore, the optimized NiMnCo/Ti-2 electrocatalyst is a promising candidate for practical seawater electrolysis aiming at green hydrogen production. Full article
Show Figures

Graphical abstract

28 pages, 3294 KB  
Article
Design, Synthesis, and Bioevaluation of Moxifloxacin Hydrazide Metal Complexes: Integrated Spectroscopic, Computational, Antimicrobial, and Anticancer Investigations
by Abbas Mamdoh Abbas, Sara Reda Fisal, Ibrahim A. I. Ali, W. Christopher Boyd, Haitham Kalil and Adel Sayed Orabi
Int. J. Mol. Sci. 2026, 27(7), 3057; https://doi.org/10.3390/ijms27073057 - 27 Mar 2026
Viewed by 441
Abstract
This study reports the synthesis, spectroscopic characterization, and biological evaluation of a novel moxifloxacin hydrazide derivative (MOX-H) and its metal complexes with Co(II), Ni(II), Cu(II), VO(IV), and Gd(III). The ligand was synthesized by hydrazinolysis of moxifloxacin hydrochloride, and the resulting hydrazide was subsequently [...] Read more.
This study reports the synthesis, spectroscopic characterization, and biological evaluation of a novel moxifloxacin hydrazide derivative (MOX-H) and its metal complexes with Co(II), Ni(II), Cu(II), VO(IV), and Gd(III). The ligand was synthesized by hydrazinolysis of moxifloxacin hydrochloride, and the resulting hydrazide was subsequently complexed with the respective metal salts. The interaction between MOX-H and the metal ions yielded the corresponding complexes, formulated as [Co(H2O)Cl(MOX-H)2]Cl·2.5H2O, [Ni(H2O)Cl(MOX-H)2]Cl.4.5H2O, [VO(MOX-H)2]SO4.3.5H2O, [Gd (H2O)(MOX-H)2(NO3)2]NO3.2H2O, and [Cu(MOX-H)2(H2O)Cl]Cl·xH2O (where x = 2, 2.5, 0.5, for products synthesized via template, microwave-assisted, and hydrothermal methods, respectively). The synthesized analogues were characterized by elemental analysis (CHN), FT-IR, UV-visible, and 1H NMR spectroscopy, and mass spectrometry, as well as thermogravimetric (TG/DTG) and magnetic measurements. FT-IR spectra confirmed coordination through the hydrazide carbonyl and amine groups, while UV–visible and magnetic data indicated predominantly octahedral geometries. The thermal behavior exhibited multistep decomposition with activation parameters supporting exothermic processes. When compared to the free ligand, the metal complexes showed increased antimicrobial activity against both Gram-positive and Gram-negative bacteria and fungus species, particularly for the Co(II) and Cu(II) complexes, which showed the largest inhibition zones. The Cu(II)–MOX-H complex exhibited the lowest MIC values (4.88–9.76 µg/mL) among all tested compounds, confirming its outstanding antibacterial potency and high sensitivity compared to the free ligand and standard drug. Cytotoxicity assays demonstrated selective anticancer activity, with the Cu(II)–MOX-H complex showing the highest potency (IC50 ≈ 2.95 µM against MCF-7 and IC50 ≈ 0.98 µM against HepG-2), while maintaining minimal toxicity toward normal cells. These findings were corroborated by molecular docking investigations, which showed that the MOX-H complexes had substantial binding affinities (−9 to −10 kcal/mol) toward DNA topoisomerase II, consistent with their observed biological effects. Full article
(This article belongs to the Section Biochemistry)
Show Figures

Figure 1

27 pages, 2450 KB  
Article
Integrated Management of the Urban Water Cycle: A Synthesis of Impacts and Solutions from Source to Tap
by Nicolae Marcoie, Elena Iliesi, András-István Barta, Irina Raboșapca, Daniel Toma, Valentin Boboc, Cătălin-Dumitrel Balan and Bogdan-Marian Tofănică
Urban Sci. 2026, 10(3), 175; https://doi.org/10.3390/urbansci10030175 - 23 Mar 2026
Viewed by 453
Abstract
Urbanization fundamentally fractures the natural water cycle, leading to a cascade of interconnected problems including increased flood risk, degraded water quality, stressed groundwater resources, and inefficient distribution networks. Traditional, fragmented management approaches that address these issues in isolation have proven inadequate. This research [...] Read more.
Urbanization fundamentally fractures the natural water cycle, leading to a cascade of interconnected problems including increased flood risk, degraded water quality, stressed groundwater resources, and inefficient distribution networks. Traditional, fragmented management approaches that address these issues in isolation have proven inadequate. This research argues for a paradigm shift towards an Integrated Urban Water Management (IUWM) framework anchored in the concept of the “river-aquifer-pipe network continuum”, treating these components as a single, dynamic hydrological and infrastructural entity. Drawing upon a series of detailed case studies from Eastern Romania, this paper synthesizes the systemic impacts of development across the entire urban water system. Evidence from the Prut, Olt, and Bahlui river basins demonstrate how channelization exacerbates flood peaks and leads to severe biochemical degradation. Hydrogeological modeling of the Gherăești-Bacău wellfield reveals the vulnerabilities of over-extraction, while analysis of the Iași water network highlights the challenge of water losses in the aging infrastructure. In response, a modern, multi-tool approach is consolidated into a practical, three-stage framework for action: Diagnose, Prescribe, and Optimize. This framework advocates for (1) a comprehensive diagnosis using a suite of predictive numerical models (a “digital twin”); (2) the prescription of foundational, nature-based solutions, such as floodplain restoration, to heal core ecological functions; and (3) the continuous optimization of engineered infrastructure using smart, real-time control technologies. The synthesis concludes that an integrated, data-driven, and collaborative approach is the only sustainable path forward. Future research should focus on formally coupling these diagnostic models to create true Digital Twins of urban water systems—an essential step towards building resilient, water-secure cities for the 21st century. Full article
(This article belongs to the Special Issue Water Resources Planning and Management in Cities (2nd Edition))
Show Figures

Graphical abstract

22 pages, 4393 KB  
Article
An Adaptive Attention 3D U-Net for High-Fidelity MRI-to-CT Synthesis: Bridging the Anatomical Gap with CBAM
by Chaima Bensebihi, Nacer Eddine Benzebouchi, Nawel Zemmal, Abdallah Namoun, Aida Chefrour and Siham Amrouch
Diagnostics 2026, 16(6), 875; https://doi.org/10.3390/diagnostics16060875 - 16 Mar 2026
Viewed by 489
Abstract
Background: The generation of synthetic CT images from MRI scans represents a crucial step toward enabling MRI-only clinical workflows and supporting multi-modal integration in medical imaging, particularly in radiotherapy planning. Despite significant advancements in deep learning models, many current methods still struggle to [...] Read more.
Background: The generation of synthetic CT images from MRI scans represents a crucial step toward enabling MRI-only clinical workflows and supporting multi-modal integration in medical imaging, particularly in radiotherapy planning. Despite significant advancements in deep learning models, many current methods still struggle to reconstruct high-density structures, especially bone, and exhibit limited accuracy in density values. This shortcoming is largely attributed to the passage of excessive or noisy features through skip connections in the traditional U-Net architecture, which degrade the quality of information transmitted to the decoder, negatively impacting the clarity of anatomical boundaries and the pixel-wise accuracy of the resulting synthetic image. Methods: In this work, we propose an enhanced 3D U-Net architecture in which the Convolutional Block Attention Module (CBAM) is systematically integrated within each skip connection. The CBAM sequentially applies channel and spatial attention to adaptively reweight encoder feature maps before fusion with the decoder, thereby emphasizing anatomically relevant structures while suppressing irrelevant feature propagation. The model was trained and evaluated on the SynthRAD2023 (Task 1—Brain) MRI–CT dataset. To rigorously assess the contribution of the attention mechanism, a dedicated ablation study was conducted comparing three variants: 3D U-Net with Squeeze-and-Excitation (SE), Coordinate Attention (CA), and the proposed CBAM module. Performance was evaluated using Mean Absolute Error (MAE), Root Mean Square Error (RMSE), Peak Signal-to-Noise Ratio (PSNR), Structural Similarity Index (SSIM), and Normalized Cross-Correlation (NCC). Results: The ablation study demonstrated that the CBAM-enhanced model consistently outperformed both SE- and CA-based variants across all quantitative metrics. Specifically, the proposed method achieved an MAE of 38.2±5.4 HU and an RMSE of 51.0±12.0 HU, representing the lowest reconstruction errors among the evaluated models. In addition, it obtained a PSNR of 29.45±2.10 dB, SSIM of 0.940±0.031, and NCC of 0.967±0.015, indicating superior structural preservation and strong voxel-wise correspondence between synthesized and reference CT volumes. These results confirm that the sequential integration of channel and spatial attention provides a statistically and practically meaningful improvement for high-fidelity MRI-to-CT synthesis. Conclusions: Generating high-resolution brain CT images from brain MRI scans using a 3D U-Net network enhanced with a CBAM module can contribute to supporting the clinical workflow by providing additional diagnostic data without the need for extra radiological examinations, thereby enhancing diagnostic efficiency and reducing radiation exposure. This technique helps reduce patient exposure to radiation and improves accessibility in resource-limited settings. Furthermore, this method is valuable for retrospective studies, surgical planning, and image-guided therapy, where complete multi-modal data may not always be available. Full article
(This article belongs to the Section Machine Learning and Artificial Intelligence in Diagnostics)
Show Figures

Figure 1

31 pages, 10361 KB  
Review
Beyond the Surface: Deciphering the Role of Genetic Susceptibility in BIA-ALCL Pathogenesis
by Young-Sool Hah, Seung-Jun Lee, Jeongyun Hwang and Hye Young Choi
Biomedicines 2026, 14(3), 600; https://doi.org/10.3390/biomedicines14030600 - 8 Mar 2026
Viewed by 577
Abstract
Background/Objectives: Breast implant-associated anaplastic large cell lymphoma (BIA-ALCL) is the sentinel implant-associated malignancy, illustrating how long-lived biomaterials can reshape local tissue–immune ecology. Although textured (high-surface-area) implants show the strongest epidemiologic association, the rarity of disease despite widespread exposure suggests additional host modifiers. We [...] Read more.
Background/Objectives: Breast implant-associated anaplastic large cell lymphoma (BIA-ALCL) is the sentinel implant-associated malignancy, illustrating how long-lived biomaterials can reshape local tissue–immune ecology. Although textured (high-surface-area) implants show the strongest epidemiologic association, the rarity of disease despite widespread exposure suggests additional host modifiers. We synthesize evidence supporting a gene–environment (G × E) framework and critically appraise emerging host-susceptibility signals (including BRCA1/BRCA2 and HLA associations). Methods: We conducted a narrative, evidence-based synthesis of peer-reviewed epidemiologic and registry studies, peri-implant niche biology (biofilm/foreign-body response and cytokine milieu), tumor genomic profiling, and current guidelines/regulatory communications, prioritizing primary studies for key claims. Results: Textured exposure dominates risk attribution, whereas absolute-risk estimates vary with denominators, exposure ascertainment, and follow-up duration. Mechanistic studies support a chronically inflamed capsule niche. Genomic analyses repeatedly converge on JAK/STAT pathway activation with frequent co-alterations in epigenetic regulators and recurrent copy-number changes, consistent with stepwise evolution under sustained selection. Immune-evasion features—including frequent PD-L1 expression and CD274 (9p24.1) copy-number alterations—provide a plausible checkpoint route, while host-susceptibility signals remain preliminary and require multi-center, multi-ancestry replication. Conclusions: BIA-ALCL is a multistep, context-dependent lymphoma in which implant-mediated inflammation intersects with host susceptibility to enable somatic evolution and immune escape. Clinically, prevention currently relies on exposure mitigation, standardized risk communication, and symptom-driven evaluation; precision prevention will require integrative cohorts linking verified device exposure, immunogenetics, microenvironment profiling, and tumor multi-omics. Full article
(This article belongs to the Section Cancer Biology and Oncology)
Show Figures

Graphical abstract

39 pages, 67440 KB  
Article
LLM-TOC: LLM-Driven Theory-of-Mind Adversarial Curriculum for Multi-Agent Generalization
by Chenxu Wang, Jiang Yuan, Tianqi Yu, Xinyue Jiang, Liuyu Xiang, Junge Zhang and Zhaofeng He
Mathematics 2026, 14(5), 915; https://doi.org/10.3390/math14050915 - 8 Mar 2026
Viewed by 620
Abstract
Zero-shot generalization to out-of-distribution (OOD) teammates and opponents in multi-agent systems (MASs) remains a fundamental challenge for general-purpose AI, especially in open-ended interaction scenarios. Existing multi-agent reinforcement learning (MARL) paradigms, such as self-play and population-based training, often collapse to a limited subset of [...] Read more.
Zero-shot generalization to out-of-distribution (OOD) teammates and opponents in multi-agent systems (MASs) remains a fundamental challenge for general-purpose AI, especially in open-ended interaction scenarios. Existing multi-agent reinforcement learning (MARL) paradigms, such as self-play and population-based training, often collapse to a limited subset of Nash equilibria, leaving agents brittle when faced with semantically diverse, unseen behaviors. Recent approaches that invoke Large Language Models (LLMs) at run time can improve adaptability but introduce substantial latency and can become less reliable as task horizons grow; in contrast, LLM-assisted reward-shaping methods remain constrained by the inefficiency of the inner reinforcement-learning loop. To address these limitations, we propose LLM-TOC (LLM-Driven Theory-of-Mind Adversarial Curriculum), which casts generalization as a bi-level Stackelberg game: in the inner loop, a MARL agent (the follower) minimizes regret against a fixed population, while in the outer loop, an LLM serves as a semantic oracle that generates executable adversarial or cooperative strategies in a Turing-complete code space to maximize the agent’s regret. To cope with the absence of gradients in discrete code generation, we introduce Gradient Saliency Feedback, which transforms pixel-level value fluctuations into semantically meaningful causal cues to steer the LLM toward targeted strategy synthesis. We further provide motivating theoretical analysis via the PAC-Bayes framework, showing that LLM-TOC converges at rate O(1/K) and yields a tighter generalization error bound than parameter-space exploration under reasonable preconditions. Experiments on the Melting Pot benchmark demonstrate that, with expected cumulative collective return as the core zero-shot generalization metric, LLM-TOC consistently outperforms self-play baselines (IPPO and MAPPO) and the LLM-inference method Hypothetical Minds across all held-out test scenarios, reaching 75% to 85% of the upper-bound performance of Oracle PPO. Meanwhile, with the number of RL environment interaction steps to reach the target relative performance as the core efficiency metric, our framework reduces the total training computational cost by more than 60% compared with mainstream baselines. Full article
(This article belongs to the Special Issue Applications of Intelligent Game and Reinforcement Learning)
Show Figures

Figure 1

12 pages, 339 KB  
Article
Linear Stepwise Synthesis of 2-(Naphthalen-1-yl)-2,3,5,6-tetrahydro-1H-isoquinolino[8,1,2-hij]quinazoline: A Novel Fused Heteroaromatic Framework
by Augusto Rivera, Álvaro Castillo, Jaime Ríos-Motta and Diego Quiroga
Organics 2026, 7(1), 12; https://doi.org/10.3390/org7010012 - 3 Mar 2026
Viewed by 347
Abstract
In the present work, we describe the synthesis of a new heterocyclic derivative, 2-(naphthalen-1-yl)-2,3,5,6-tetrahydro-1H-isoquinolino[8,1,2-hij]quinazoline 1, using the reaction between the aminal 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane 2 (TATD) and 1-naphthylamine 3 as the first scaffold of a four-step linear synthetic [...] Read more.
In the present work, we describe the synthesis of a new heterocyclic derivative, 2-(naphthalen-1-yl)-2,3,5,6-tetrahydro-1H-isoquinolino[8,1,2-hij]quinazoline 1, using the reaction between the aminal 1,3,6,8-tetraazatricyclo[4.4.1.13,8]dodecane 2 (TATD) and 1-naphthylamine 3 as the first scaffold of a four-step linear synthetic route. In the first step, a condensation catalyzed by acetic acid in 96% ethanol was carried out, leading to the formation of the intermediate 3-(naphthalen-1-yl)-1,2,3,4-tetrahydrobenzo[h]quinazoline 4. Subsequently, this intermediate was acylated with 2-chloroacetyl chloride in the presence of triethylamine and under an inert atmosphere, obtaining the compound 2-chloro-1-(3-(naphthalen-1-yl)-3,4-dihydrobenzo[h]quinazolin-1(2H)-yl)ethan-1-one 5. In the third step, an intramolecular Friedel–Crafts cyclization was carried out using aluminum trichloride as a catalyst, yielding 2-(naphthalen-1-yl)-1,2,3,6-tetrahydro-5H-isoquinolino[8,1,2-hij]quinazolin-5-one 6. Finally, the reduction of this lactam with phosphorus pentachloride and sodium borohydride under anhydrous conditions led to the further closure of the polycyclic system, yielding the final product 1. The proposed route demonstrates the feasibility of using TATD 2 as a versatile precursor for constructing condensed heterocyclic systems of structural interest and potential relevance in advanced organic synthesis. Full article
Show Figures

Figure 1

15 pages, 4013 KB  
Article
In Situ Synthesized Manganese Ferrite/Carbon Composite Nano-Material: A Novel Electrode Material for High-Performance Supercapacitors
by Tshiamo Baloyi, Ndeye Fatou Diop, Rashed Ali Mohamed Adam, Erence Nkuna, Gift Rutavi, Motlalepula Rebecca Mhlongo, Ncholu Manyala and Vusani Muswa Maphiri
Crystals 2026, 16(3), 171; https://doi.org/10.3390/cryst16030171 - 2 Mar 2026
Viewed by 381
Abstract
This study presents an in situ synthesis of a novel manganese ferrite/carbon (MF/C) composite material via a citrate sol–gel route followed by calcination in an inert argon (Ar) atmosphere. The structural and morphological and porosity properties were characterized using X-ray diffraction (XRD), Fourier [...] Read more.
This study presents an in situ synthesis of a novel manganese ferrite/carbon (MF/C) composite material via a citrate sol–gel route followed by calcination in an inert argon (Ar) atmosphere. The structural and morphological and porosity properties were characterized using X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), Energy-Dispersive X-ray Spectroscopy (EDX), and N2 gas physisorption analysis. Electrochemical evaluation of the MF/C in a 3 M KOH electrolyte in a three-electrode configuration showed a high specific capacity of 39.26 mAh g−1 at 1 Ag−1 and a rate capability of 69% at 5 Ag−1 and an equivalent series resistance (ESR) of 0.798 Ω. Subsequently, an asymmetric hybrid supercapacitor device (MF/C//AC) was fabricated using MF/C as the positive electrode and human-derived activated carbon (AC) as the negative electrode. The assembled device exhibited remarkable performance, with a wide operating voltage window of 1.4 V, a high sweeping potential of 1 V s−1, a specific capacity, energy, power and maximum power of 42.4 mAhg−1, 16.35 Wh kg−1, 1944 W kg−1 and 236 kW kg−1, respectively, and excellent capacitance retention of 92% after 15,000 charge–discharge cycles. The in situ preparation approach significantly reduced synthesis time and cost compared to conventional multi-step methods, as less equipment was required, while still achieving comparable or superior electrochemical performance to other supercapacitors in the literature. Full article
(This article belongs to the Section Materials for Energy Applications)
Show Figures

Figure 1

18 pages, 1019 KB  
Systematic Review
Enamel Integrity and Residual Composite Following Clear Aligner Attachment Removal: A Systematic Review
by Nicolas Nassar, Karim Corbani, Rim Bourgi, Roland Kmeid, Carlos Enrique Cuevas-Suárez and Ahmed A. Holiel
Clin. Pract. 2026, 16(3), 51; https://doi.org/10.3390/clinpract16030051 - 27 Feb 2026
Viewed by 488
Abstract
Objectives: This systematic review evaluated enamel surface alterations and residual composite following the removal of clear aligner attachments, with particular emphasis on the influence of removal techniques, instrument selection, operator experience, and the use of magnification on enamel preservation and cleaning efficiency. Methods: [...] Read more.
Objectives: This systematic review evaluated enamel surface alterations and residual composite following the removal of clear aligner attachments, with particular emphasis on the influence of removal techniques, instrument selection, operator experience, and the use of magnification on enamel preservation and cleaning efficiency. Methods: A comprehensive electronic search was performed in PubMed, Scopus, Embase, Web of Science, and Scielo up to October 2025. In vitro, ex vivo, and clinical studies assessing enamel loss, residual composite, surface roughness, or removal time after clear aligner attachment removal were included. Study selection, data extraction, and methodological assessment followed the PRISMA 2020 guidelines and Cochrane Handbook recommendations. Risk of bias was evaluated using a modified Joanna Briggs Institute checklist for laboratory-based studies. Due to substantial methodological heterogeneity, a narrative synthesis was conducted. Results: Of 656 identified records, three in vitro/ex vivo studies were assessed for eligibility. Reported enamel loss ranged from approximately 15 µm to more than 50 µm, depending on the removal protocol and visualization conditions. Residual composite covered approximately 20–40% of the treated enamel surface. Multi-step protocols combining tungsten carbide burs with silicone polishers under magnification demonstrated the most favorable balance between composite removal efficiency and enamel preservation. Fiberglass burs were associated with smoother enamel surfaces but increased enamel loss, whereas one-step polishing systems (OneGloss, Enhance, SM104) resulted in reduced surface roughness and shorter procedural time. The use of magnification loupes (≥2.5×) consistently improved removal precision and reduced residual composite. Meta-analysis was not feasible due to heterogeneity in outcome measures and testing methodologies. Overall risk of bias was deemed acceptable. Conclusions: Based on the limited number of available in vitro/ex vivo studies, removal of clear aligner attachments appears to be associated with measurable enamel loss and residual composite, largely influenced by the instruments and visualization aids used. Sequential carbide–silicone polishing protocols performed under magnification appear promising based on limited in vitro/ex vivo evidence, demonstrating a favorable balance between composite removal and enamel preservation under controlled laboratory conditions. However, given the scarcity of evidence and absence of clinical trials, these findings cannot be directly extrapolated to routine clinical practice. Further well-designed studies are required before definitive clinical recommendations can be established. Full article
Show Figures

Figure 1

23 pages, 6751 KB  
Article
Generation Mechanism and Reynolds Number Regulation of Multi-Peak Oscillatory Concentration Gradients in Multi-Layer Vertical-Stepped Microchannels
by Zengliang Hu, Minghai Li, Guangda Liu, Xiaohui Jia and Zhenyu Fan
Micromachines 2026, 17(3), 294; https://doi.org/10.3390/mi17030294 - 27 Feb 2026
Viewed by 361
Abstract
This study systematically investigates the flow characteristics, mixing efficiency, and concentration gradient generation (CGG) capabilities of three types of vertical-stepped main-channel microfluidic concentration gradient generators—the upward vertical-step (UVS-GG), downward vertical-step (DVS-GG), and straight horizontal channel (SHC-GG)—under different Reynolds numbers (Re) through numerical simulation [...] Read more.
This study systematically investigates the flow characteristics, mixing efficiency, and concentration gradient generation (CGG) capabilities of three types of vertical-stepped main-channel microfluidic concentration gradient generators—the upward vertical-step (UVS-GG), downward vertical-step (DVS-GG), and straight horizontal channel (SHC-GG)—under different Reynolds numbers (Re) through numerical simulation and comparative analysis. Using numerical simulations, the research reveals the universal transition of flow regimes from diffusion-dominated to convection-dominated and reports the emergence of a “multi-peak oscillatory concentration gradient” phenomenon under stepped geometries and high Re (Re = 100, 200). The results indicate that the SHC-GG can generate monotonic gradients at low Re, making it an ideal baseline configuration. In contrast, UVS-GG and DVS-GG enhance mixing and enable the programming of complex concentration distributions through unique inertia–geometry coupling effects. The synergistic interaction between geometric configuration and Re is identified as the core mechanism for regulating concentration field morphology and device performance. This study provides key theoretical and design foundations for the rational design of microfluidic gradient generators targeting applications such as biological screening, chemical analysis, and material synthesis. Full article
Show Figures

Figure 1

14 pages, 1722 KB  
Article
A Two-Enzyme Entry Module Triggers an Endogenous Biocatalytic Cascade for Green Biosynthesis of Pyridoxal 5′-Phosphate in Corynebacterium glutamicum
by Li Qi, Hao He, Shihao Xiang and Hui Cao
Catalysts 2026, 16(2), 195; https://doi.org/10.3390/catal16020195 - 20 Feb 2026
Viewed by 598
Abstract
Pyridoxal 5′-phosphate (PLP), the active form of vitamin B6, is an essential cofactor, yet its industrial supply still relies largely on multi-step chemical synthesis. Here, using the industrial chassis Corynebacterium glutamicum ATCC 13032, we proposed and validated a strategy based on a minimal [...] Read more.
Pyridoxal 5′-phosphate (PLP), the active form of vitamin B6, is an essential cofactor, yet its industrial supply still relies largely on multi-step chemical synthesis. Here, using the industrial chassis Corynebacterium glutamicum ATCC 13032, we proposed and validated a strategy based on a minimal heterologous entry coupled to endogenous pathway continuation, resulting in a distinct PLP-producing route. Three engineered strains were constructed and compared: S1 expressing ecepd from Escherichia coli; S2 co-expressing ecepd plus ecpdxB from Escherichia coli (a minimal two-gene module); and S3 carrying an additional ecpdxA from Escherichia coli and smpdxJ from Sinorhizobium meliloti to form a four-gene module as a benchmark for heterologous reconstruction. The wild-type (WT) strain produced a basal PLP level of 10.6 mg/L. Overexpressing ecepd alone increased the titer to 40.4 mg/L (3.8-fold vs WT), whereas the minimal two-gene module in S2 yielded the highest PLP titer of 95.5 mg/L (9.0-fold vs WT; 136.0% higher than S1). Notably, the four-gene module (S3) reached 70.0 mg/L, which was 36.3% lower than S2 under matched conditions. These results indicated that introducing only a minimal two-gene entry could cooperate with the endogenous metabolic network of Corynebacterium glutamicum to establish a new and highly effective PLP biosynthetic route, with production performance exceeding that of a multi-gene heterologous reconstruction in the tested window. This work provides a low-burden and scalable framework for sustainable PLP biomanufacturing and motivates further optimization targeting the endogenous continuation steps and regulatory constraints. Full article
Show Figures

Figure 1

28 pages, 1421 KB  
Article
Multi-Time-Scale Coordinated Optimization Scheduling Strategy for Wind–Solar–Hydrogen–Ammonia Systems
by Ziyun Xie, Yanfang Fan, Junjie Hou and Xueyan Bai
Electronics 2026, 15(4), 795; https://doi.org/10.3390/electronics15040795 - 12 Feb 2026
Viewed by 575
Abstract
To address the inherent mismatch between the fluctuating power output of renewable energy and the continuous production requirements of ammonia in off-grid wind–solar–hydrogen–ammonia systems, this paper proposes a “day-ahead–intraday–real-time” multi-time-scale coordinated optimization scheduling strategy. In the day-ahead layer, Wasserstein Distributionally Robust Optimization (WDRO) [...] Read more.
To address the inherent mismatch between the fluctuating power output of renewable energy and the continuous production requirements of ammonia in off-grid wind–solar–hydrogen–ammonia systems, this paper proposes a “day-ahead–intraday–real-time” multi-time-scale coordinated optimization scheduling strategy. In the day-ahead layer, Wasserstein Distributionally Robust Optimization (WDRO) is employed to determine a conservative and stable baseline plan for ammonia load under high uncertainty of wind and solar output. The intraday layer utilizes Model Predictive Control (MPC) with a 2-h prediction horizon and 15-min rolling steps to correct short-term forecast deviations. The real-time layer achieves minute-level power balancing through priority dispatch and deadband control. Furthermore, hydrogen storage tanks serve as a material buffer between hydrogen production and ammonia synthesis, with their state variables transmitting across layers to achieve flexible multi-time-scale coupling. Simulation results demonstrate that, although this strategy slightly reduces the theoretical maximum ammonia yield, it completely avoids load-shedding risks. Compared with the deterministic scheduling (Scheme 1), which suffers a net loss due to severe penalty costs, the proposed strategy achieves a positive daily profit of CNY 277,700, representing an absolute increase of CNY 429,300. Furthermore, it provides an additional daily profit of CNY 65,800 compared to the stochastic optimization approach (Scheme 2), demonstrating superior economic robustness in off-grid environments. Full article
Show Figures

Figure 1

Back to TopTop