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  • Open Access Icon
  • Research Article
  • 10.3390/catal16050453
Exploring β-Myrcene Incorporation in Propene Copolymerization Using Half-Titanocene Catalysts
  • May 13, 2026
  • Catalysts
  • Kantarattana Paramanurak + 5 more

The development of polyolefin from bio-renewables has been considered an important subject in terms of circular economy. In this study, exploring the possibility of β-myrcene (MY) incorporation in propene copolymerization has been studied in the presence of various catalysts: phenoxide-modified half-titanocene, Cp’TiCl2(O-2,6-iPr2-4-C6H3) [Cp’ = Cp* (C5Me5), Me3SiC5H4], and ketimide-modified half-titanicene, Cp’TiCl2(N=CtBu2) (Cp’ = Cp*, Cp). Among the complexes tested, the permethylated Cp* catalysts, Cp*TiCl2(O-2,6-iPr2-4-C6H3) and Cp*TiCl2(N=CtBu2), exhibited moderate catalytic activities in the copolymerizations, affording the copolymers up to 3 mol% MY incorporation. The other catalysts showed negligible activity in the attempted copolymerizations. The resulting copolymers were amorphous and possessed sole glass transition temperatures (Tg), suggesting uniform compositions; the Tg values decreased with increasing comonomer (MY) content, reaching values as low as −17 °C. The results introduce valuable insights into the structure–property relationships of myrcene-based copolymers and pave the way for the future designs of tailored molecular catalysts for the synthesis of biobased elastomers.

  • Open Access Icon
  • Research Article
  • 10.3390/catal16050419
Modeling and Optimization of Cumene Synthesis Using Zeolite-Catalyzed Alkylation
  • May 3, 2026
  • Catalysts
  • Mohamed Bechir Ben Hamida

This study focuses on simulating and optimizing cumene (isopropylbenzene) production via the alkylation of benzene with propylene using a beta zeolite catalyst. Two process configurations were evaluated: a conventional setup without a transalkylation reactor and an enhanced configuration incorporating a transalkylation unit to convert byproducts back into cumene. The process was modeled under steady-state conditions in Aspen HYSYS using plug flow reactors and the Peng–Robinson fluid package, with reaction kinetics derived from established literature on zeolite-catalyzed systems. Optimization studies examined the effects of reactor temperature, pressure, and the benzene-to-propylene molar ratio. Increasing the reactor temperature to 178 °C improved propylene conversion to 96.20%, while raising the pressure from 3540 kPa to 3600 kPa further enhanced it to 96.24%. By optimizing the benzene-to-propylene molar feed ratio to approximately 1.02:1 and increasing the fresh benzene feed to 138.5 kmol/h, cumene production reached 135.792 kmol/h while minimizing byproduct formation. Comparative analysis revealed that the configuration without a transalkylation reactor generated 4.171 kmol/h of diisopropylbenzene (DIPB) as waste, representing both economic loss and environmental concern due to its toxicity. In contrast, the integration of a transalkylation reactor enabled the conversion of DIPB into additional cumene, significantly improving process efficiency and sustainability. These findings demonstrate that optimizing reaction conditions and integrating a transalkylation step substantially enhances cumene yield and reduces waste, leading to a more viable and environmentally friendly industrial process.

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  • Research Article
  • 10.3390/catal16050422
Investigation of Synergistic Effects of Hydrogenation and Copper Decoration on the Electrocatalytic Application (HER) of TiO2 Nanotube Array Electrodes
  • May 3, 2026
  • Catalysts
  • Hamed Namdar-Asl + 4 more

In this study, TiO2 nanotube (TNTs) array electrodes were fabricated by electrochemical anodization and subsequently modified through thermal annealing, hydrogenation heat treatment, and chemical decoration with copper species at various immersion times to enhance their electrochemical performance. The structural, morphological, semiconducting, and electrochemical properties of the modified nanotubes were systematically examined. FE-SEM and EDS analyses confirmed the formation of well-aligned TNTs and the successful deposition of copper species, with the most uniform surface distribution achieved for the sample decorated for 45 min. Raman spectroscopy and XRD results revealed that the anatase phase of TiO2 remained stable after hydrogenation and copper decoration, while minor peak shifts indicated defect evolution and lattice distortion. Electrochemical evaluations, including linear sweep voltammetry, Tafel polarization, electrochemical impedance spectroscopy, and Mott–Schottky analysis, demonstrated a substantial enhancement in electrocatalytic activity following copper decoration. Compared with annealed and hydrogenated electrodes, the decorated samples exhibited markedly lower overpotentials, reduced cathodic Tafel slopes, and decreased charge-transfer resistance. Mott–Schottky analysis confirmed n-type semiconducting behavior for all electrodes, showing that hydrogenation increased donor density, whereas subsequent copper decoration slightly reduced it due to the partial substitution of oxygen vacancies by copper oxide species. Among all samples, the electrode decorated for 45 min (AA′HD45) exhibited the optimal balance between donor density, charge-transfer properties, and electrochemical performance. These results highlight the effectiveness of combining hydrogenation with optimized copper decoration to improve charge transport and interfacial kinetics in TNT electrodes for electrochemical applications.

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  • Research Article
  • 10.3390/catal16050418
RuO2-CeO2@Ti Anode for Electrocatalytic Degradation of Acid Orange 3: Performance Evaluation and Mechanistic Study
  • May 2, 2026
  • Catalysts
  • Ai Qu + 3 more

Acid Orange 3 (AO3) is a widely used azo dye in leather, paper, and textile dyeing. Untreated direct discharge into water bodies severely threatens human health and aquatic ecosystems, yet efficient degradation remains challenging for conventional technologies. In this work, RuO2/CeO2 heterostructure was synthesized and immobilized on a Ti substrate via controlled hydrothermal and annealing treatments, yielding RuO2/CeO2@Ti electrode. The electrode showed electrocatalytic activity for the oxygen evolution reaction (OER) over a wide pH range. Under optimized conditions (47 mA/cm2, pH 6, 0.25 M NaCl), 150 mg/L AO3 was degraded by 95.89% within 180 min. The degradation mechanism was elucidated by GC-MS and DFT (density functional theory) calculations. The degradation process was dominated by indirect oxidation, sequentially involving azo bond cleavage, heterocyclic ring opening, desulfurization, denitrification, benzene ring cleavage, and mineralization of small molecules into H2O and CO2.

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  • Research Article
  • 10.3390/catal16050413
The Recent Impact of Natural Deep Eutectic Solvents on Asymmetric Organocatalysis
  • May 2, 2026
  • Catalysts
  • Maria B Moura + 4 more

Over the last 20 years, Deep-Eutectic Solvents (DES) have been making a significant impact in the field of chemistry, with applications in nanotechnology, biomass transformation, electrochemistry pharmaceuticals and a host of other applications that includes catalysis. Considering the importance of chiral organocatalysis for the selective synthesis of drugs, pharmaceuticals and fragrances, etc. DESs were quickly harnessed as the media for carrying out organocatalytic transformations. In this review, we discuss some of the most important examples from the literature that have made an impact in the field over the last 5 years. A more recent development has been the incorporation of DESs in structured and self-organized gel-like assemblies that are known as EutectoGels. These soft structures offer a more defined and compact environment that can influence stereoselectivity by pre-organizing the reactants in three-dimensional space, and potential control the types of transition states that can be formed.

  • Open Access Icon
  • Research Article
  • 10.3390/catal16050411
Advances in Tar Steam Reforming Catalysts: A Review Focusing on Natural Minerals and Ni-Based Catalysts
  • May 2, 2026
  • Catalysts
  • Xiaofei Sun + 3 more

Biomass gasification technology is a crucial pathway for obtaining clean syngas and achieving efficient utilization of carbon resources. However, tar is one of the main factors restricting the industrialization of biomass gasification technology. Among various solutions, catalytic steam reforming is regarded as the most promising solution. Currently, natural minerals and Ni-based catalysts have been demonstrated to be effective and economically viable for tar removal, which are widely used in industrial fluidized beds. Therefore, the basic reaction principles of tar steam reforming were briefly introduced. The development of tar steam reforming catalysts, focusing mainly on natural minerals and Ni-based catalysts, have been studied in this review. The catalytic cracking mechanisms of natural minerals such as dolomite and limestone, as well as the steam reforming mechanism of Ni-based catalysts, have been thoroughly summarized. In addition, the active sites of the catalysts, reaction pathways, and the essence of catalyst deactivation are discussed. Based on this, the catalytic effect of these two catalysts for steam reforming of tar in the fluidized bed was summarized. Further, the engineering challenges (such as mass transfer, wear, and continuous regeneration) and the corresponding process optimization measures were comprehensively reviewed, and future perspectives are discussed.

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  • Research Article
  • 10.3390/catal16050389
Solvothermal Synthesis of Perovskite-like Magnesium Zirconate Assisted by Deep Eutectic Solvent for Electrochemical Detection of Dopamine
  • Apr 28, 2026
  • Catalysts
  • Abdulmohsen K D Alsukaibi + 8 more

In this study, an electrochemical sensor based on magnesium zirconate (MgZrO3) synthesized using a deep eutectic solvent (DES)-assisted approach was developed for the detection of dopamine. The structural and morphological properties of MgZrO3 were characterized using X-ray diffraction, Fourier-transform infrared spectroscopy, field-emission scanning electron microscopy, energy-dispersive spectroscopy, and elemental mapping. The electrochemical performance of the MgZrO3-modified glassy carbon electrode (GCE) was evaluated using cyclic voltammetry and differential pulse voltammetry. The MgZrO3/GCE exhibited an enhanced redox response and a reduced oxidation potential for dopamine in phosphate-buffered solution (PBS, pH 7.0), indicating improved electrocatalytic activity compared to the bare electrode. This improvement is attributed to the material’s increased active surface area and facilitated charge transfer kinetics. Under optimized conditions, the sensor showed a linear response over a concentration range of 0.3–80 µM, with a detection limit of 127 nM and quantification limit of 423 nM. The MgZrO3/GCE also demonstrated good selectivity in the presence of common interfering species and was successfully applied for dopamine detection in biological samples, with satisfactory recovery results. The findings presented here contribute to the growing body of knowledge in the field and open up new possibilities for the development of advanced electrochemical sensors for neurotransmitter detection in clinical and research settings related to Breast Cancer Treatment.

  • Open Access Icon
  • Research Article
  • 10.3390/catal16050386
Correction: Khan et al. Classification, Synthetic, and Characterization Approaches to Nanoparticles, and Their Applications in Various Fields of Nanotechnology: A Review. Catalysts 2022, 12, 1386
  • Apr 28, 2026
  • Catalysts
  • Yousaf Khan + 12 more

In the original publication [...]

  • Open Access Icon
  • Research Article
  • 10.3390/catal16050388
The Development of an Electrochemical Sensor Based on Silver Nanoparticle/Hexagonal Boron Nitride Nanocomposites for the Detection of Acebutolol in Treating Cardiovascular Complications
  • Apr 28, 2026
  • Catalysts
  • Abdulmohsen K D Alsukaibi + 8 more

The quantitative analysis of cardio selective beta-blockers, such as the antihypertensive and antiarrhythmic medication acebutolol (ABT), is critical for biomedical and environmental monitoring. This study describes the development of a high-performance electrochemical sensing platform for ABT based on a screen-printed carbon electrode (SPCE) modified with a silver nanoparticle/hexagonal boron nitride (Ag NPs/h-BN) nanocomposite. The morphological and structural properties of the synthesized materials were examined by using a microscopic and spectroscopic techniques. The Ag NPs/h-BN/SPCE demonstrated exceptional electrocatalytic activity toward ABT oxidation, characterized by a significant reduction in overpotential and a substantial enhancement in peak current relative to unmodified and mono-component electrodes. This superior performance is attributed to the synergistic integration of Ag NPs and h-BN, which provides a high density of active sites, an expanded electroactive surface area, and accelerated charge transfer kinetics. Under optimized experimental conditions, the sensor exhibited a broad linear dynamic range of 0.01–284 μM, a remarkably low limit of detection (LOD) of 0.0049 μM, and a high sensitivity of 0.873 µA µM−1 cm−2 for ABT detection. Furthermore, the platform displayed excellent selectivity in the presence of common interfering species and robust reproducibility (RSD of 4.8%). The practical utility of the Ag NPs/h-BN/SPCE was successfully validated through the precise quantification of ABT in complex biological and environmental matrices. This work provides a versatile strategy for the rational design of metal nanocatalysts confined within h-BN frameworks for the development of advanced electrochemical diagnostic tools.

  • Open Access Icon
  • Research Article
  • 10.3390/catal16050387
Editorial: Special Issue on Cutting-Edge Photocatalysis
  • Apr 28, 2026
  • Catalysts
  • Natalia Martsinovich

The rapid technological development of our society has brought multiple challenges, such as environmental pollution and increased demand for clean water and energy [...]