<?xml version="1.0" encoding="utf-8"?>
    <rss version="2.0">
      <channel xmlns:content="http://purl.org/rss/1.0/modules/content/">
        <title>Frontiers in Chemical Engineering | Catalytic Engineering section | New and Recent Articles</title>
        <link>https://www.frontiersin.org/journals/chemical-engineering/sections/catalytic-engineering</link>
        <description>RSS Feed for Catalytic Engineering section in the Frontiers in Chemical Engineering journal | New and Recent Articles</description>
        <language>en-us</language>
        <generator>Frontiers Feed Generator,version:1</generator>
        <pubDate>2026-05-13T12:06:06.892+00:00</pubDate>
        <ttl>60</ttl>
        <item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2026.1734015</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2026.1734015</link>
        <title><![CDATA[Epoxidation of allyl alcohol to glycidol over TPAOH-treated titanium silicalite-1 extrudates]]></title>
        <pubdate>2026-01-16T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Gideon Abaidoo Ocran</author><author>Bosong Zhang</author><author>Yi Zuo</author><author>Huali Tan</author><author>Gudan Li</author><author>Hong Yang</author><author>Chunshan Song</author><author>Xinwen Guo</author>
        <description><![CDATA[The epoxidation of allyl alcohol with H2O2 over titanium silicalite-1 (TS-1) is an environmentally friendly route for producing glycidol. However, the catalytic activity and stability of TS-1 is not satisfactory. In this study, strip-shaped TS-1 was hydrothermally treated by TPAOH solution, change theTi coordination states and diffusion property, thereby enhancing its catalytic performance. The influences of TPAOH concentration and treating time on the physical chemical property and catalytic performance were studied systematically. It was found that the SiO2 agglomerant was dissolved and crystallized during the treatment, resulting in an increased Si content on the external surface. The tetrahedrally coordinated Ti was transformed to pentahedrally and octahedrally coordinated Ti, which possess higher catalytic activity for selective oxidation. The treatment also leads to the formation of cavities in the TS-1 crystals, which can shorten the diffusion pathway of substates and improve the diffusion property. Both the chemical property and microstructure enhance the catalytic activity for allyl alcohol epoxidation.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2025.1716732</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2025.1716732</link>
        <title><![CDATA[Biodiesel stabilization by dibrominated dimethoxybenzaldehydes: a comprehensive computational perspective]]></title>
        <pubdate>2026-01-09T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Igor D. Borges</author><author>Antônio S. N. Aguiar</author><author>Ademir J. Camargo</author><author>Hamilton B. Napolitano</author>
        <description><![CDATA[The oxidative instability of biodiesel remains a critical barrier to its widespread adoption despite its advantages as renewable, biodegradable, and low-emission fuel. Antioxidant additives are an established strategy to suppress free radical chain reactions, yet their efficiency is strongly modulated by molecular structure and solvent environment. This is the first comparative density functional theory study of dibrominated dimethoxybenzaldehydes and standard phenolic antioxidants under biodiesel-relevant solvent conditions using the conductor-like polarizable continuum model. Frontier molecular orbitals, Fukui index, ionization potentials, spin density distributions, and natural bond orbital hyperconjugations were systematically analyzed across polar and nonpolar environments. The computational results suggest that bromination is associated with increased electronic softness and electron transfer potential, while also leading to changes in the stability of radical intermediates, especially in ortho-substituted derivatives. Among the dibrominated compounds, IB1 exhibits the most balanced combination of computed properties, whereas IB3, although highly reactive in silico, is predicted to form comparatively less stable radical species. Compared with commercial benchmarks, these halogenated systems constitute a distinct mechanistic class governed by polarization rather than hydroxyl-centered resonance. These computational findings provide guidance for the rational design of next-generation biodiesel stabilizers, pending future experimental validation.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2025.1748891</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2025.1748891</link>
        <title><![CDATA[The crystal facet effect of ZnAl2O4 in the CO2 hydrogenation to methanol]]></title>
        <pubdate>2026-01-07T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Yigong Hu</author><author>Qiang Liu</author><author>Zhiqun Wang</author><author>Xinle Zhang</author><author>Xiangkun Zhou</author><author>Guanghui Zhang</author><author>Xinwen Guo</author>
        <description><![CDATA[Zinc aluminate (ZnAl2O4) is one of the most widely used catalysts in the hydrogenation of carbon dioxide to methanol. During the CO2 hydrogenation reaction, ZnAl2O4 undergoes surface reconstruction to form ZnO, creating a ZnO/ZnAl2O4 active interface that promotes methanol production. However, the active crystal facets on which this surface reconstruction occurs, as well as the intrinsic and extrinsic factors influencing the reconstruction process, remain unclear, posing challenges to understanding the structure of the real active sites and the structure-activity relationship. In this work, ZnAl2O4 with three morphologies—granular, rod-like and plate-like—were synthesized, primarily exposing the (222), (311) and (440) crystal facets, respectively. The granular ZnAl2O4 exhibited superior methanol synthesis performance compared to the rod-like and plate-like morphologies. This enhancement is attributed to the reaction-induced formation of highly active ZnO predominantly exposing the (002) facet on the surface of granular ZnAl2O4. Furthermore, the intrinsic and extrinsic factors affecting the surface reconstruction process were investigated. Increasing the reaction temperature, the gas hourly space velocity (GHSV) and the H2/CO2 ratio were found to promote the surface reconstruction rate and enhance the steady-state space-time yield (STY) of oxygenates (Oxy). The granular ZnAl2O4, with its (222) facet featuring a spatial hexagonal arrangement of adjacent Zn atoms, exhibits stronger H2 activation capability, thereby promoting the surface reconstruction of active ZnO. These findings provide important guidance for the design and synthesis of highly efficient zinc-based oxide catalysts.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2024.1534838</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2024.1534838</link>
        <title><![CDATA[Editorial: Layered double hydroxides and their use as catalysts in sustainable processes]]></title>
        <pubdate>2024-12-11T00:00:00Z</pubdate>
        <category>Editorial</category>
        <author>Octavian-Dumitru Pavel</author><author>Haresh Manyar</author>
        <description></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2024.1334355</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2024.1334355</link>
        <title><![CDATA[Transition metal oxide nanocatalysts for the deoxygenation of palm oil to green diesel]]></title>
        <pubdate>2024-02-22T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>C. E. Guerrero-Corona</author><author>J. A. Melo-Banda</author><author>M. Lam-Maldonado</author><author>L. A. Vega-Ibarra</author><author>N. P. Diaz-Zavala</author><author>M. A. Meraz-Melo</author>
        <description><![CDATA[This study investigated the hydrodeoxygenation of palm oil by different oxide nanocatalysts of transition metals α -Fe2O3, NiO, and NiFe2O4, which were synthesized by hot injection. All nanomaterials were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, and dynamic light dispersion. The catalytic evaluation was performed in a Parr-type reactor at 350°C, 3.5 MPa of H2 pressure, and 3 h of reaction. The liquid product obtained was analyzed by ultraviolet-visible light spectroscopy to identify the n-C16 generated during the reaction. The activity in the deoxygenation of fatty acids to produce n-C16 hydrocarbons has the following order: α-Fe2O3 < NiFe2O4 < NiO.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2023.1272988</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2023.1272988</link>
        <title><![CDATA[Brewers’ spent grain pretreatment optimisation to enhance enzymatic hydrolysis of whole slurry and resuspended pellet]]></title>
        <pubdate>2023-12-12T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Juan Castilla-Archilla</author><author>Maria Cermeño</author><author>Maria G. Tuohy</author><author>Richard J. FitzGerald</author><author>Piet N. L. Lens</author>
        <description><![CDATA[A thermal diluted acid pretreatment using brewers spent grain (BSG) was optimised to improve enzymatic hydrolysis while minimising energy and chemical inputs. First, the use of hydrochloric or sulfuric acid for pretreatment was compared, using hydrochloric acid for the next steps. Three different dilute acid thermal pretreatment combinations were optimised in terms of acid concentration, temperature and time using a response surface methodology. Optimization was based on i) highest remaining protein content in the solid fraction (C1: 0.49% HCl; 87.7°C; 92 min), ii) highest liquid recovery (C2: 0.80% HCl; 121.0°C; 142 min), iii) lowest acid concentration applied to achieve largest protein and lowest remaining solid levels (C3: 0.10% HCl; 104.0°C; 70 min); and iv) a final condition based on the lowest water retention capacity when using HCl (C4: 0.20% HCl; 121.0°C; 20 min). The efficiency of enzymatic hydrolysis was evaluated, in the absence and presence of a large concentration of reducing carbohydrates, by centrifuging the slurry after acid pretreatment, recovering the solid fraction and resuspending it in fresh water. In C2, the enzyme (Depol 40L) was added directly to the entire slurry after pretreatment. For C1, C3, and C4 direct addition of enzyme to the whole slurry resulted in a higher release of carbohydrates during hydrolysis. Only in the case of C2 did the use of the resuspended solid result in a higher carbohydrate release. The overall carbohydrate recovery efficiency in the liquid fractions for C1, C2, C3 and C4 corresponded to 399.1 (±26.1), 535.8 (±28.7), 257.0 (±11.5), and 446.3 (±81.1) mg carbohydrate per Gram of BSG (dry weight), respectively. C1 and C4 were considered the optimal pretreatments as these combined a low acid concentration and energy input prior to enzymatic hydrolysis.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2023.1282418</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2023.1282418</link>
        <title><![CDATA[Editorial: Carbon-based catalytic engineering for sustainable industrial applications]]></title>
        <pubdate>2023-09-15T00:00:00Z</pubdate>
        <category>Editorial</category>
        <author>Jingjie Luo</author><author>Wen Luo</author><author>Ning Wang</author><author>Kuang-Hsu Wu</author>
        <description></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2023.1153795</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2023.1153795</link>
        <title><![CDATA[Three basic open access software tools for academic analysis of photocatalytic particles]]></title>
        <pubdate>2023-07-20T00:00:00Z</pubdate>
        <category>Mini Review</category>
        <author>Alexander Mendoza-Acosta</author><author>Suleyka Torres-Romero</author><author>Martín Orozco</author><author>Manuel Cota</author><author>Ricarda L. Basurto</author><author>Luis L. Galaviz</author>
        <description><![CDATA[There is currently great interest in photocatalytic degradation technologies of pollutants in industrial effluents. This is due to the need to reduce the environmental pollution generated by the textile industry’s high demand of clothing for fast fashion; in addition to severe environmental problems, this also generates social problems. Since the catalysts of this type of processes are usually nanoparticles of metal oxides such as zinc and titanium, it is necessary to promote research into the synthesis and evaluation of photocatalysts. Therefore, this article describes three free basic access tools for the academic analysis of nanoparticles, from experimental design to representation, using the study of kinetics and particle size analysis. After pre-selecting easily accessible software, it was found that RStudio, J-Image, and Vesta are very useful programs for the analysis of nanoparticles in the respective areas of statistical processing, image analysis, and three-dimensional representation.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2023.1160254</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2023.1160254</link>
        <title><![CDATA[Graphene nanoplatelets promoted CoO-based catalyst for low temperature CO2 methanation reaction]]></title>
        <pubdate>2023-05-15T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Liping Zhong</author><author>Thi Ha My Pham</author><author>Youngdon Ko</author><author>Andreas Züttel</author>
        <description><![CDATA[Methanation of CO2 is an important reaction for reducing CO2 emissions in a power-to-gas system. Compared to cobalt supported on gamma-Al2O3, cobalt supported on graphene nanoplatelets (GNPs) showed significantly better performance for CO2 methanation. Cobalt supported on GNPs was capable of 15% conversion of CO2 to CH4 at temperatures below 250°C, compared to 5% for cobalt supported on Al2O3. In situ thermogravimetric analysis (TGA) demonstrated that the Co/GNP catalyst was stable to 400°C. The maximum catalyst mass-specific CH4 yield was obtained at a Co loading of 5wt% on GNPs; however, high Co loading on GNPs deactivated the reactivity of the Co/GNP catalyst. Transmission electron microscopy (TEM) demonstrated that 5wt% Co/GNPs had the smallest and most dispersed cobalt nanoparticles. Excessive loading of cobalt tended to form isolated large Co nanoparticles. X-ray photoelectron spectroscopy (XPS) and Raman spectrometry revealed that more CoO phases were maintained on the surface of 5wt% Co/GNPs, indicating that the interaction between the Co and the GNPs had more of an impact on cobalt’s redox capacity than did particle size, which ultimately affected cobalt’s active phase during the CO2 reduction process. Furthermore, Raman spectrometry demonstrated that Co loading led to an increase in graphene defects. Higher Co loading on GNPs resulted in fewer interfaces between Co and GNPs due to the agglomeration of Co nanoparticles.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2022.1116366</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2022.1116366</link>
        <title><![CDATA[Promotion of Au nanoparticles on carbon frameworks for alkali-free aerobic oxidation of benzyl alcohol]]></title>
        <pubdate>2023-01-23T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Zhongtian Du</author><author>Sen Zhang</author><author>Sihan Yang</author><author>Wenhao Yang</author><author>Jingjie Luo</author><author>Changhai Liang</author>
        <description><![CDATA[We synthesized a series of modified Co-ZIF-67 materials with tunable morphology to support fine Au nanoparticles for the alkali-free aerobic oxidation of benzyl alcohol. Structure promotion was performed using Stöber silica as a hard template, which was subsequently removed by NaOH etching before gold immobilization. The texture structure of Au/(Si)C was greatly improved with increasing surface area and volume. CoOx was simultaneously introduced into the carbon shell from the Co-ZIF-67 precursor, which consequently facilitated the specific Au-support interaction via bimetallic synergy. XRD, XPS, and TEM images demonstrated the redispersion of both Au and CoOx as well as the electronic delivery between metals. Analysis of the chemical and surface composition suggested a surface rich in Auδ+ with abundant lattice oxygen contributed by CoOx in the final Au/(Si)C, which improved the transformation rate of benzyl alcohol even in an alkali-free condition. Au/(Si)C with finely dispersed Au particles showed excellent catalytic performance in the alkali-free environment, with 89.3% benzyl conversion and 74.5% benzaldehyde yield under very mild conditions.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2022.1027167</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2022.1027167</link>
        <title><![CDATA[Non-thermal plasma activated CO2 hydrogenation over K- and La- promoted layered-double hydroxide supported Ni catalysts]]></title>
        <pubdate>2022-11-15T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Christina Charalambous</author><author>Shanshan Xu</author><author>Shengzhe Ding</author><author>Sarayute Chansai</author><author>Edidiong Asuquo</author><author>Antonio Torres Lopez</author><author>Christopher M. A. Parlett</author><author>Jamie D. Gilmour</author><author>Arthur Garforth</author><author>Christopher Hardacre</author>
        <description><![CDATA[The catalytic conversion of CO2 to CH4 and CO over nickel particles supported on layered-double hydroxide (MgAl) with different metal promoters was investigated under non-thermal plasma (NTP) conditions. It has been shown that lanthanum-promoted Ni catalysts significantly enhanced the CO2 conversion in comparison to the 10Ni/MgAl catalyst (33.4% vs. 89.3%). In comparison, for the potassium-promoted catalysts, CO2 conversion is similar to that of 10Ni/MgAl but the CO selectivity increased significantly (35.7% vs. 62.0%). The introduction of La and K to Ni catalysts increased the Ni dispersion and improved the reducibility of Ni species, thus affecting CO2 conversion and product selectivity. In situ DRIFTS showed similar reaction pathways for La- and K- promoted catalysts with Ni catalysts. However, the La and K promoters significantly improved the formation of formate species on the Ni surface, facilitating CO2 conversion to useful products.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2022.1036084</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2022.1036084</link>
        <title><![CDATA[Biological funneling of phenolics from transgenic plants engineered to express the bacterial 3-dehydroshikimate dehydratase (qsuB) gene]]></title>
        <pubdate>2022-10-19T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>German E. Umana</author><author>Jose M. Perez</author><author>Faride Unda</author><author>Chien-Yuan Lin</author><author>Canan Sener</author><author>Steven D. Karlen</author><author>Shawn D. Mansfield</author><author>Aymerick Eudes</author><author>John Ralph</author><author>Timothy J. Donohue</author><author>Daniel R. Noguera</author>
        <description><![CDATA[The economic and environmental sustainability of lignocellulosic biomass biorefineries is predicated on generating biofuels and bioproducts from cell-wall polysaccharide and lignin polymers. Historical efforts in plant genetic engineering have focused on the development of strategies that facilitate biomass deconstruction, with more recently efforts including the synthesis of high-value chemicals in planta. One such genetic modification is the expression of the bacterial quinate and shikimate utilization B (qsuB) gene that increases the accumulation of protocatechuic acid in lignocellulosic biomass. Herein, we evaluated the effectiveness of an alkaline pretreatment process to extract phenolics directly from wild-type and QsuB-transgenic lines of Arabidopsis, poplar, and sorghum, and then upgrade them to the polyester precursor 2-pyrone-4,6-dicarboxylic acid (PDC) with an engineered strain of Novosphingobium aromaticivorans. Protocatechuic acid extracted from all QsuB transgenic lines was found to be mostly in the glycosylated form. Glycosylated protocatechuic acid and other plant-derived phenolics were effectively metabolized by N. aromaticivorans, and PDC production was greatest using extracts from an Arabidopsis QsuB transgenic line (∼5% w/w), followed by QsuB sorghum (∼1.1% w/w), and QsuB poplar (∼0.4% w/w) lines. The comparison of PDC production from wild-type and QsuB transgenic lines of Arabidopsis, poplar, and sorghum demonstrates the utility of a mild alkaline pretreatment to liberate phenolics from plant biomass that are either naturally present or that accumulate as a consequence of genetic engineering strategies. All QsuB transgenic lines outperformed their wild-type counterparts with respect to observed PDC yields. In addition, microbial funneling to PDC was effective even when most of the protocatechuic acid extracted was in glycosylated form, clearly demonstrating that this bacterium can metabolize these aromatic conjugates. These findings illustrate the benefits of combining plant and microbial engineering for bioproduct formation from phenolics in lignocellulosic biorefineries.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2022.1027152</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2022.1027152</link>
        <title><![CDATA[Mixed oxides from calcined layered double hydroxides for glycerol carbonate production to contribute to the biodiesel economy]]></title>
        <pubdate>2022-10-14T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Argüello Dalma</author><author>Bálsamo Nancy</author><author>Eimer Griselda</author><author>Crivello Mónica</author>
        <description><![CDATA[The glycerol generated as a by-product in the production of biodiesel could be used as a renewable raw material to economically promote the production process. The catalytic conversion of glycerol to a product with higher added value, such as glycerol carbonate, has attracted great interest in the chemical, pharmaceutical, and lithium battery industries, among others, due to its low toxicity, hydration capacity, and biodegradability. Layered-double hydroxide (LDH) materials, the precursors of the catalysts, were synthesized by a direct coprecipitation method to incorporate a third metal ion in addition to magnesium and aluminum ions. This method is the easiest regularly applied technique to design these low cost anionic nanoclay. The atomic percentage of Cu, Zn, or Ni incorporated was 15% of the Mg load in the material. The synthesis atomic ratio, (M2++Mg2+)/Al3+ had a constant value of 3, where M represents the transition metal incorporated. LDHs produced the corresponding mixed metal oxides by thermal decomposition. These materials have excellent properties for reactions catalyzed by the basic sites, high surface area, homogeneous cation dispersion, and thermal stability. The physicochemical material properties were characterized by XRD, N2 sorption, MP-AES, TPD-CO2, SEM, and XPS. The mixed oxides were evaluated in the catalytic conversion of glycerol to glycerol carbonate. The addition of Cu, Ni, or Zn to the matrix of Mg and Al produced changes in its physicochemical properties and mostly in the catalytic activity. X-ray diffractograms of LDHs showed the typical characteristic structure of layers even with metallic ions of Cu, Ni, or Zn incorporated, because their ionic radii are similar to that of the Mg ion, 0.69, 0.73, and 0.74 Å, respectively. The obtained mixed oxides showed a high catalytic activity towards the conversion of glycerol to glycerol carbonate under mild reaction conditions, a 1:2 ratio of glycerol:ethylene carbonate and solvent free. Relative yields higher than 80% were obtained, attributable to an adequate distribution of basicity and textural parameters. The catalysts were used in successive reaction cycles without significant loss of activity.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2022.867615</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2022.867615</link>
        <title><![CDATA[Layered Double Hydroxides Containing Rare Earth Cations: Synthesis and Applications]]></title>
        <pubdate>2022-03-09T00:00:00Z</pubdate>
        <category>Mini Review</category>
        <author>Evgeniy S. Seliverstov</author><author>Sergei N. Golovin</author><author>Olga E. Lebedeva</author>
        <description><![CDATA[In this mini-review, we describe the currently available literature concerning synthesis and applications of layered double hydroxides (LDHs) containing rare earth cations (RE-LDHs), focusing on the catalytic activity of those compounds. The lack of studies of some rare earth elements (REE) and the insufficient knowledge of their catalytic activity in the structure of LDHs indicate the need for further research.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2022.823877</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2022.823877</link>
        <title><![CDATA[Biocatalytic Elimination of Pharmaceutics Found in Water With Hierarchical Silica Monoliths in Continuous Flow]]></title>
        <pubdate>2022-03-08T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Wassim Sebai</author><author>Sher Ahmad</author><author>Marie-Pierre, Belleville</author><author>Alexis Boccheciampe</author><author>Perrine Chaurand</author><author>Clément Levard</author><author>Nicolas Brun</author><author>Anne Galarneau</author><author>Jose Sanchez-Marcano</author>
        <description><![CDATA[Pharmaceutical products (PPs) are considered as emerging micropollutans in wastewaters, river and seawaters, and sediments. The biodegradation of PPs, such as ciprofloxacin, amoxicillin, sulfamethoxazole, and tetracycline by enzymes in aqueous solution was investigated. Laccase from Trametes versicolor was immobilized on silica monoliths with hierarchical meso-/macropores. Different methods of enzyme immobilization were experienced. The most efficient process was the enzyme covalent bonding through glutaraldehyde coupling on amino-grafted silica monoliths. Silica monoliths with different macropore and mesopore diameters were studied. The best support was the monolith featuring the largest macropore diameter (20 µm) leading to the highest permeability and the lowest pressure drop and the largest mesopore diameter (20 nm) ensuring high enzyme accessibility. The optimized enzymatic reactor (150 mg) was used for the degradation of a PP mixture (20 ppm each in 30 ml) in a continuous recycling configuration at a flow rate of 1 ml/min. The PP elimination efficiency after 24 h was as high as 100% for amoxicillin, 60% for sulfamethoxazole, 55% for tetracycline, and 30% for ciprofloxacin.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2021.828266</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2021.828266</link>
        <title><![CDATA[Redox-Hopping-Based Charge Transport Mediated by Ru(II)-Polypyridyl Species Immobilized in a Mesoporous Metal-Organic Framework]]></title>
        <pubdate>2022-02-08T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Jiaxin Duan</author><author>Subhadip Goswami</author><author>Joseph T. Hupp</author>
        <description><![CDATA[Electronic charge transport through crystalline metal-organic frameworks (MOFs) can be accomplished by site-to-site electron (or hole) hopping, provided that redox-active sites, such as easily reducible or oxidizable MOF linkers, are present. If the framework itself is redox-inert, solvent-assisted ligand incorporation of redox-active moieties can serve to enable hopping-based charge transport. Here we have studied the redox hopping process within Ru-bpy@NU-1008, where Ru-bpy is a carboxylate-functionalized derivative, i.e., a node-ligating derivative, of the well-known chromophore Ru(2,2′-bipyridine)32+, and NU-1008 is a redox-inert MOF featuring hierarchical porosity and csq topology. Chronoamperometry experiments with electrode-supported thin films of Ru-bpy@NU-1008 show that charge transport is feasible through portions of the MOF, with other portions being inaccessible. Possible confounding features are the undersized c-pores that cross-connect 1D mesoporous channels, as ingress and egress of charge-compensating anions is believed to accompany the net oxidation of Ru(II) to Ru(III) and the reduction of Ru(III) to Ru(II). Phenomenologically, transport through the electroactive portion of the films is diffusion-like, with the magnitude of the apparent diffusion coefficient being 6 × 10−12 cm2/s.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2021.792368</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2021.792368</link>
        <title><![CDATA[Infrared Spectroscopic Evidence of WS2 Morphology Change With Citric Acid Addition and Sulfidation Temperature]]></title>
        <pubdate>2022-01-18T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Luz A. Zavala-Sanchez</author><author>Françoise Maugé</author><author>Xavier Portier</author><author>Laetitia Oliviero</author>
        <description><![CDATA[MS2 morphology is strongly influenced by several parameters including the addition of a chelating agent and sulfidation temperature. In this work, we report the use of citric acid as chelating agent in order to prepare a series of WS2/Al2O3 catalysts that were submitted to sulfidation at several temperatures. The effect of these two parameters in the morphology of the slabs was explored by means of CO adsorption at low temperature followed by IR spectroscopy (IR/CO) and later confirmed by High-Resolution Scanning Transmission Electron Microscopy coupled with High Angular Annular Dark Field detector (HR STEM - HAADF). This allowed to depict the morphology of WS2 slabs by means of calculating the M-edge/S-edge site ratio. The use of citric acid in the preparation stage favors the increase of S-edge site concentration whereas it keeps that of M-edge sites: according to IR/CO, with an increasing amount of citric acid, the WS2 morphology progressively changes from a slightly truncated triangle exhibiting predominantly M edges to a hexagon with both M edge and S edge. In addition, HR STEM-HAADF demonstrated that the addition of citric acid in the impregnation step of W catalysts considerably reduces the size of WS2 nanoparticles increasing their dispersion degree. The morphology of the WS2 plates on the activated WS2/Al2O3 catalyst with a typical sulfidation temperature range (573–673 K) was detected to be a truncated triangle exposing both the M-edge and the S-edge. Furthermore, the IR/CO results indicate that the degree of truncation (ratio of S-edge/M-edge) of WS2 slabs gradually rises with the increasing sulfidation temperature. However, the most determining factor for a modification of the morphology of the slabs turns out to be the presence of citric acid as a chelating agent and not the sulfidation temperature. This change in morphology (i.e., change of S-edge/M-edge ratio) is a key factor for catalytic performance, since the M-edge and the S-edge show different reactivity in hydrodesulfurization (HDS) reactions. Notably, it was also found that the addition of citric acid not only improves the catalytic activity but also the stability of the catalysts, giving the best performance in concentrations higher than (CA/W = 1).]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2021.807510</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2021.807510</link>
        <title><![CDATA[Enhanced Catalytic Activity of Boron Nitride Nanotubes by Encapsulation of Nickel Wire Toward O2 Activation and CO Oxidation: A Theoretical Study]]></title>
        <pubdate>2022-01-12T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Keke Mao</author><author>Haifeng Lv</author><author>Xiuling Li</author><author>Jiajia Cai</author>
        <description><![CDATA[Perfect boron nitride (BN) nanotubes are chemically inert, and hardly considered as catalysts. Nevertheless, metal wire encapsulated BN nanotubes show extraordinarily high chemical activity. We report nickel (Ni) nanowire encapsulated BN(8.0) and BN(9.0) nanotubes toward O2 activation and CO oxidization on the basis of first-principles calculations. Our results suggest that Ni wire encapsulated BN(8.0) and BN(9.0) nanotubes can easily adsorb and activate O2 molecules to form peroxo or superoxo species exothermically. Meanwhile, superoxo species are ready to react with CO molecules forming OCOO intermediate state and finally yielding CO2 molecules. Meanwhile, the rate-limiting step barrier is only 0.637 eV, implying excellent performance for CO oxidation on Ni nanowire encapsulated BN nanotubes. Furthermore, encapsulation of nickel wire improves the catalytic activity of BN nanotubes by facilitating electron transfer from Ni wire to BN nanotubes, which facilitates the adsorption of highly electronegative O2 molecules and subsequent CO oxidation. This study provides a practical and efficient strategy for activating O2 on a metal encapsulated BN nanotube toward CO oxidation.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2021.764931</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2021.764931</link>
        <title><![CDATA[Synthesis and Characterization of NiMo Catalysts Supported on Fine Carbon Particles for Hydrotreating: Effects of Metal Loadings in Catalyst Formulation]]></title>
        <pubdate>2022-01-12T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Emma Aryee</author><author>Ajay Kumar Dalai</author><author>John Adjaye</author>
        <description><![CDATA[The by-products collected during the synthesis of carbon nanohorns via the arc discharge synthesis method is comprised of other carbon particles (OCP). At a hydrotreating operating temperature of 370°C, preliminary investigations using a bimetallic catalyst with support originating from the fine fractions of other carbon particles (OCPf) and containing 13 wt% Mo and 2.5 wt% Ni resulted in an HDS and HDN conversion of 78 and 25%, respectively. Variation of metal compositions in catalyst formulation and its impact on hydrotreating activity was therefore considered in this study to enhance the hydrotreating activity of OCPf–supported catalyst, and to determine if the best NiMo/OCPf catalyst achieved from this study could be a viable catalyst for hydrotreating applications. The co-incipient wetness impregnation was used in preparing series of hydrotreating catalysts with Ni and Mo loadings within the range of (2.5–5.0 wt%) and (13–26 wt%) respectively. Overall, the catalyst samples with maximum Ni loading of 5.0 wt% and Mo loadings of either 13 or 19 wt% showed higher dispersion and the ability to form a Type II Ni-Mo-S phase with enhanced activity. The effects of metal compositions on both HDS and HDN activities were correlated with their physicochemical properties.]]></description>
      </item><item>
        <guid isPermaLink="true">https://www.frontiersin.org/articles/10.3389/fceng.2021.789416</guid>
        <link>https://www.frontiersin.org/articles/10.3389/fceng.2021.789416</link>
        <title><![CDATA[Mass Transfer in Hierarchical Silica Monoliths Loaded With Pt in the Continuous-Flow Liquid-Phase Hydrogenation of p-Nitrophenol]]></title>
        <pubdate>2021-12-13T00:00:00Z</pubdate>
        <category>Original Research</category>
        <author>Haseeb Ullah Khan Jatoi</author><author>Michael Goepel</author><author>David Poppitz</author><author>Richard Kohns</author><author>Dirk Enke</author><author>Martin Hartmann</author><author>Roger Gläser</author>
        <description><![CDATA[Sol-gel-based silica monoliths with hierarchical mesopores/macropores are promising catalyst support and flow reactors. Here, we report the successful preparation of cylindrically shaped Pt-loaded silica monoliths (length: 2 cm, diameter: 0.5 cm) with a variable mean macropore width of 1, 6, 10, or 27 μm at a fixed mean mesopore width of 17 nm. The Pt-loaded monolithic catalysts were housed in a robust cladding made of borosilicate glass for use as a flow reactor. The monolithic reactors exhibit a permeability as high as 2 μm2 with a pressure drop below 9 bars over a flow rate range of 2–20 cm3 min−1 (solvent: water). The aqueous-phase hydrogenation of p-nitrophenol to p-aminophenol with NaBH4 as a reducing agent was used as a test reaction to study the influence of mass transfer on catalytic activity in continuous flow. No influence of flow rate on conversion at a fixed contact time of 2.6 s was observed for monolithic catalysts with mean macropore widths of 1, 10, or 27 µm. As opposed to earlier studies conducted at much lower flow velocities, this strongly indicates the absence of external mass-transfer limitations or stagnant layer formation in the macropores of the monolithic catalysts.]]></description>
      </item>
      </channel>
    </rss>