Molecular Catalysis最新文献

{"title":"Defect-engineered MoO3-x coupled with AuAg nanoalloys for efficient photoelectro-oxidation of cyclohexane to KA oil","authors":"Bingjie Li ,&nbsp;Jincheng Liu ,&nbsp;Xiaoyan Xiang ,&nbsp;Wenxin Yang ,&nbsp;Yang Liang ,&nbsp;Lei Li ,&nbsp;Yanxiong Fang","doi":"10.1016/j.mcat.2026.115797","DOIUrl":"10.1016/j.mcat.2026.115797","url":null,"abstract":"<div><div>The selective oxidation of inert C-H bonds in cycloalkanes to high-value KA oil (the mixture of cyclohexanone and cyclohexanol) is a major industrial challenge, primarily due to the inherent trade-off between conversion and selectivity. To address this, we developed a novel photoelectrocatalyst for the oxidation of cyclohexane under ambient conditions. The catalyst was constructed by first synthesizing blue, oxygen-vacancy-rich MoO_3-x nanowires via a hydrothermal method, followed by the in-situ deposition of AuAg alloy nanoparticles with tunable compositions. Comprehensive characterization confirmed the uniform distribution of the alloy nanoparticles and the formation of a Schottky heterojunction with the MoO_3-x support. This design promotes efficient separation of photogenerated charge carriers and enhances visible-light absorption through the localized surface plasmon resonance (LSPR) effect. During photoelectrocatalytic oxidation, the optimized catalyst (MoO_3-x-Au₂₀Ag₂₀) exhibited exceptional performance, achieving a cyclohexane conversion of 30.24% with 93.7% selectivity to KA oil under 2.6 V applied bias and 2 h of irradiation. This represents a 1.9-fold increase in conversion compared to pristine MoO_3-x nanowires. This work provides an efficient and selective pathway for alkane oxidation and advances the strategy for designing synergistic photoelectrocatalytic systems.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"593 ","pages":"Article 115797"},"PeriodicalIF":4.9,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186477","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"MOF-derived CeO2-supported Au-Pd nanoparticles for efficient solvent-free oxidation of benzyl alcohol","authors":"Jiale Zhao ,&nbsp;Zhe Wang ,&nbsp;Wei Zhao ,&nbsp;Man He ,&nbsp;Pei Liu ,&nbsp;Ningyi Zhang ,&nbsp;Liang Zhao ,&nbsp;Xiaoliang Li ,&nbsp;Rena Oh ,&nbsp;Xiaoyang Jerry Huang","doi":"10.1016/j.mcat.2026.115802","DOIUrl":"10.1016/j.mcat.2026.115802","url":null,"abstract":"<div><div>This study presents a CeO₂ support (denoted as CM) with a porous straw bundle morphology and high specific surface area was prepared through the pyrolysis of Ce-MOF precursor. The CM was compared with hydrothermally synthesized CeO₂ nanorods (CR) and commercial CeO₂ (CC). Au-Pd nanoparticles were deposited onto these CeO₂ supports via a sol-immobilization technique, which subsequently served as catalysts for the solvent-free oxidation of benzyl alcohol. The predominant exposure of (110) crystal facets promoted the formation of a high concentration of oxygen vacancies and Ce³⁺ species. These properties facilitated the metal–support interaction and promoted the formation of H* species, which was dissociated from benzyl alcohol and enabled toluene production through C-O bond cleavage. In result, the Au-Pd/CM (ACM) catalyst exhibited superior performance, achieving a 43.63% benzyl alcohol conversion at 1 h (turnover frequency (TOF) value of 11,084 h^-1) and a low apparent activation energy (75.2 kJ/mol), along with good recyclability.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"593 ","pages":"Article 115802"},"PeriodicalIF":4.9,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186476","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Effect of sulfonation density on acid strength in ion exchange resins: Insights from solid-state NMR and density functional theory","authors":"Goutam Narayan Tumulu ,&nbsp;Sarvesh Datar ,&nbsp;Ankita Shelke ,&nbsp;Gitanjali Swain ,&nbsp;T.G. Ajithkumar ,&nbsp;Raja Thirumalaiswamy ,&nbsp;Ojus Mohan ,&nbsp;Sanjay M Mahajani","doi":"10.1016/j.mcat.2026.115794","DOIUrl":"10.1016/j.mcat.2026.115794","url":null,"abstract":"<div><div>Ion-exchange (IE) resins are widely used as solid acid catalysts; however, their surface acidity remains poorly characterized because their limited thermal stability precludes conventional NH₃-based acidity measurements. Moreover, acid-site accessibility in IE resins is strongly governed by solvent- or reactant-induced swelling. Here, we investigate the surface acidity of commercial Amberlyst and Indion IE resins using ³¹P MAS NMR (Magic Angle Spinning Nuclear Magnetic Resonance), employing TMPO as a molecular probe dispersed on the resin with moderately swelling dichloromethane, thereby capturing the swollen-state acidity relevant for predicting catalytic activity. The deconvolution of the ³¹P MAS NMR spectra reveals three distinct acid-strength zones arising from inhomogeneous sulfonation of the polymer matrix. The overall acidity, quantified by the area-weighted average ³¹P chemical shift (<span><math><mover><mi>δ</mi><mo>¯</mo></mover></math></span>), increases monotonically with sulfonation density. Notably, only resins containing acid sites stronger than ∼80 ppm exhibited measurable catalytic activity in α-pinene isomerization, establishing a direct correlation between acidity and activity. Density functional theory (DFT) calculations on representative resin models, supported by electron-density analyses, attribute the enhancement of acid strength at higher sulfonation densities to cooperative hydrogen-bonding networks among neighboring sulfonic acid groups. Together, these findings establish ³¹P MAS NMR–derived surface acidity as a catalytically relevant descriptor for the rational selection of IE resins in liquid phase acid-catalyzed chemistries.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"593 ","pages":"Article 115794"},"PeriodicalIF":4.9,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186481","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Theoretical investigation of the structure, performance and electrocatalytic CO2 reduction of copper nanoparticles supported on carbon-based materials","authors":"Ya-Yuan Shi,&nbsp;Ling Liu,&nbsp;Ting-Zhong Zhou,&nbsp;Shuang-Ling Qi,&nbsp;Yan Zheng,&nbsp;Lai-Cai Li","doi":"10.1016/j.mcat.2026.115792","DOIUrl":"10.1016/j.mcat.2026.115792","url":null,"abstract":"<div><div>In this study, we designed two catalyst models, Cu₁₉ nanoclusters supported on graphene (Cu₁₉/G) and graphdiyne (Cu₁₉/GDY), to investigate their catalytic properties and the microscopic mechanisms of electrochemical reduction of CO₂. Using a combination of density functional theory (DFT), we systematically explored the structural and electronic characteristics of both catalysts. Specifically, we first examined their geometric configurations, charge distributions, and electronic density of states, and subsequently identified the most stable catalyst structures via ab initio molecular dynamics (AIMD) simulations. Based on these optimized models, we further analyzed the stable adsorption configurations of CO₂ on both catalysts, along with the corresponding structural and electronic features of the adsorbed species. Finally, starting from the most stable adsorption geometries, we elucidated the detailed reaction pathways and limiting potentials for the electrochemical CO₂ reduction reactions (CO₂RR) on Cu₁₉/G and Cu₁₉/GDY. Comparative analysis revealed the optimal reaction routes leading to various CO₂RR products on each catalyst. The computational results demonstrate that Cu₁₉/G displays higher electrocatalytic activity for CO₂RR than Cu₁₉/GDY. Moreover, both catalysts effectively suppress the hydrogen evolution reaction (HER), thereby exhibiting excellent selectivity toward CO₂ reduction. These findings provide fundamental theoretical insights to guide the rational design and development of advanced CO₂ electrocatalysts.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"593 ","pages":"Article 115792"},"PeriodicalIF":4.9,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186511","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"DFT study on the CH4 catalytic combustion on the CuO (111) surface","authors":"Ling-Nan Wu ,&nbsp;Jia-Ying Liu ,&nbsp;Wu Qin ,&nbsp;Zhen-Yu Tian","doi":"10.1016/j.mcat.2026.115752","DOIUrl":"10.1016/j.mcat.2026.115752","url":null,"abstract":"<div><div>Cupric oxide (CuO) is a promising catalyst for CH₄ catalytic combustion, but its catalytic oxidation mechanism for CH₄ remains unclear. The reaction mechanism of CH₄ catalytic oxidation on the CuO surface was investigated using density functional theory calculations based on a periodic CuO (111) surface model. The stepwise oxidation mechanism for CH₄ with both O₂ and atomic O on the CuO (111) surface model via the Langmuir-Hinshelwood mechanism were studied. The unsaturated Cu top site on the CuO (111) surface model was found to be favorable for CH₄ adsorption. The H-abstraction and oxidation of CH₄ by adsorbed O₂ molecule and atomic O on the CuO (111) surface model were studied. The reaction sequence was identified as CH₄* → CH₃* → CH₃O₂* → CH₃O* → CH₂O* → CHO* → CO* with the H-abstraction of CH₄* to produce CH₃* identified as the rate-determining step for CH₄ oxidation. The reaction activation energy barrier was calculated to be 1.58 eV when reacting with adsorbed O₂. The surface adsorbed atomic O could improve the surface catalytic activity towards CH₄ oxidation, and the surface adsorbed atomic O could be formed by the O<img>O bond cleavage of CH₃O₂* and CH₂O₂*. The coupling of adsorbed CH₃ with CH₃ and OH forming ethane and methanol on the CuO (111) surface was considered, and the formation of methanol has similar energy barrier compared with the O₂ addition to CH₃ forming CH₃O₂. The rate constants for elementary reactions were derived, which helps establish the kinetic model of CH₄ oxidation on the CuO (111) surface model.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"593 ","pages":"Article 115752"},"PeriodicalIF":4.9,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146096105","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Immobilized peroxotungstate vs. TS-1 in catalytic epoxidation of organic substrates with hydrogen peroxide","authors":"Anton L. Esipovich ,&nbsp;Evgeny A. Kanakov ,&nbsp;Tatyana A. Barinova ,&nbsp;Ksenia V. Otopkova ,&nbsp;Ilya D. Chuzhaykin ,&nbsp;Alexander V. Nyuchev ,&nbsp;Artem S. Belousov","doi":"10.1016/j.mcat.2026.115801","DOIUrl":"10.1016/j.mcat.2026.115801","url":null,"abstract":"<div><div>This study aims to comprehensively compare activity, selectivity, and stability of commercial TS-1 catalyst and anion exchange resin-supported peroxotungstate complex PW<em>_x</em> (A-PW<em>_x</em>/PS) in the catalytic epoxidation of different substrates with hydrogen peroxide. The heterogeneous catalysts used were characterized using scanning electron microscopy, X-ray diffraction, Raman spectroscopy, FT-IR spectroscopy, and nitrogen adsorption-desorption measurements at low-temperature. Then, a total of 12 different substrates were utilized to determine the best catalyst for the epoxidation reaction. More specifically, behavior of the polymer-supported peroxotungstate complex PW<em>_x</em> and TS-1 in the epoxidation of olefins with a terminal double bond, an internal double bond, an endocyclic double bond, and a conjugated double bond is comprehensively investigated. The transformation pathways of each substrate during epoxidation were proposed, and the main factors affecting the product distribution as well as activity and stability of the catalysts were established. For most non-terminal olefin substrates, especially bulky ones, the proposed A-PW<em>_x</em>/PS catalyst was more efficient and stable compared to commercial TS-1 catalyst, which demonstrates its multifunctional catalytic properties and high activity in the epoxidation of substrates of various natures. A decrease in the catalytic performances of TS-1 in comparison with the proposed catalyst was particularly noticeable in the epoxidation of bulk substrates (fatty acid methyl esters and terpenes). This can be explained by the fact that the active centers of the A-PW<em>_x</em>/PS catalyst are distributed on the polymer matrix surface, while the active centers of commercial TS-1 catalyst are located mainly in the micropores, providing diffusion limitations and steric hindrance.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"593 ","pages":"Article 115801"},"PeriodicalIF":4.9,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficient and selective oxidation of methane to oxygenates on atomically dispersed Rh catalysts promoted by carbon monoxide","authors":"Bo Liu,&nbsp;Jiating Li,&nbsp;Chunyan Xiang,&nbsp;Hongyue Pan,&nbsp;Zemin An,&nbsp;Yuanjie Xu,&nbsp;Lizhi Wu,&nbsp;Li Tan,&nbsp;Yu Tang","doi":"10.1016/j.mcat.2026.115756","DOIUrl":"10.1016/j.mcat.2026.115756","url":null,"abstract":"<div><div>The direct conversion of methane into valuable chemicals under mild conditions represents a promising technological pathway, yet achieving both high efficiency and selectivity remains a major challenge in catalysis. In this work, we report a rhodium catalyst atomically dispersed on ZSM-5 for catalytic conversion of methane to oxygenates using H₂O₂ as oxidant under mild conditions. With carbon monoxide (CO) as a promoter, the catalyst achieved an oxygenates productivity of 46.8 mmol·g_cat⁻¹·h⁻¹ (equivalent to 9360 mmol·g_Rh⁻¹·h⁻¹ or 964.1 mol·mol_Rh⁻¹·h⁻¹) with approximately 90.7 % overall selectivity (including liquid products and gaseous CO₂). The catalyst retained high activity over five recycling experiments. A combined investigation by HAADF-STEM, XAFS, and DRIFTS-CO analyses confirms that the active sites consist of atomically dispersed Rh species in a Rh₁O₅ configuration anchored within the ZSM-5 micropores. Mechanistic studies, including controlled experiments, EPR, and <em>in situ</em> infrared spectroscopy, reveal that CO plays a dual role. It promotes the formation of ·OH radicals from H₂O₂ and facilitates the activation of methane, leading to the generation of ·CH₃ species. Oxygenate products are produced via the direct coupling of ·CH₃, ·OH, and CO molecules. This work highlights the potential of tailoring atomically dispersed metal catalysts and using CO as reactant and promoter to enable efficient methane transformation into valuable oxygenates.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"593 ","pages":"Article 115756"},"PeriodicalIF":4.9,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146096097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synergistic enhancement of catalytic combustion of dimethyl ether by CeMnOx/TiO2 catalyst through complexation dispersion and Ce doping: Performance and mechanism","authors":"Long He ,&nbsp;Jiaoe Gong ,&nbsp;Jia Zeng ,&nbsp;Pengjia Fu ,&nbsp;Qifei Bo ,&nbsp;Shanliang Yuan ,&nbsp;Biao Zhang","doi":"10.1016/j.mcat.2026.115783","DOIUrl":"10.1016/j.mcat.2026.115783","url":null,"abstract":"<div><div>Dimethyl ether (DME) is a typical component in the tail gases of various large-scale basic chemical processes. However, research on its catalytic combustion as an oxygen-containing short-chain volatile organic compound (VOC) has been limited. This study prepared a series of CeMnO_x/TiO₂ catalysts with varying Ce/Mn molar ratios via a tartaric acid-assisted complexation impregnation method for DME catalytic combustion. The effects of coordination environment and Ce doping on structural characteristics and catalytic performance were investigated. Characterization results, including XRD, N₂ physical adsorption, XPS, H₂-TPR, and HRTEM, indicate that optimizing the coordination environment significantly enhances the dispersion of active species. The introduction of cerium promotes the formation of Mn⁴⁺ species, increases the concentration of surface oxygen vacancies, and improves redox properties. Among all catalysts, Ce1Mn10/Ti exhibited the highest activity, achieving 90% DME conversion at 211°C while demonstrating excellent stability and resistance to H₂O. Kinetics studies and density functional theory calculations further confirm that Ce doping promotes oxygen vacancy formation, enhances DME adsorption at manganese sites, and accelerates the reaction process by facilitating oxygen transfer via the Mars-van Krevelen mechanism. This work provides new insights into the design of efficient non-precious-metal VOC catalysts through structural and electronic regulation.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"593 ","pages":"Article 115783"},"PeriodicalIF":4.9,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186503","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Restoring activity of sulfur-poisoned Cr/β-zeolite for toluene combustion via in situ high-temperature regeneration","authors":"Zetao Jin ,&nbsp;Buyuan Yang ,&nbsp;Zhuo Wang ,&nbsp;Hanqi Ning ,&nbsp;Baishun Jiang ,&nbsp;Shufeng Zuo ,&nbsp;Jing Li","doi":"10.1016/j.mcat.2026.115784","DOIUrl":"10.1016/j.mcat.2026.115784","url":null,"abstract":"<div><div>This work focuses on a Cr/β-zeolite catalyst, with which we investigated sulfur-induced deactivation in the catalytic combustion of toluene and elucidated the corresponding structural and functional modifications under in situ high-temperature regeneration. The recovery of catalyst activity is closely related to temperature: when regenerated at 700 °C, the activity is almost completely recovered, and toluene can be completely converted at about 350 °C (only 10 °C higher than that of fresh catalyst). In contrast, regeneration above 700 °C leads to deteriorated activity recovery. The mechanism analysis shows that the recovery of activity is mainly due to the thermal decomposition of sulfate species on the surface, and the redox cycle of Cr is reactivated. However, if the temperature is too high, the Cr active sites will be irreversibly clustered together, and the zeolite skeleton will collapse, so even if sulfur is removed, the catalytic activity cannot be recovered. These findings highlight the need to balance sulfate removal with structural integrity during high-temperature regeneration. Although high-temperature treatment can effectively mitigate sulfur poisoning, preserving thermal stability and preventing sintering of active sites remain critical.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"593 ","pages":"Article 115784"},"PeriodicalIF":4.9,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186482","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficient isoprenoid oxidation by an engineered heme peroxygenase from the magnetotactic bacterium Magnetospirillum gryphiswaldense","authors":"Tuhin Das,&nbsp;Maya L. Doyle,&nbsp;Sean Hutchinson,&nbsp;Stephen G. Bell","doi":"10.1016/j.mcat.2026.115786","DOIUrl":"10.1016/j.mcat.2026.115786","url":null,"abstract":"<div><div>Cytochrome P450 enzymes (CYPs) are natural monooxygenases, which can catalyze the selective oxidation of organic compounds, using dioxygen. The newly discovered CYP1597A2, the only CYP in the magnetotactic bacterium, <em>Magnetospirillum gryphiswaldense</em>, was demonstrated to bind a range of isoprenoids including bisabolol, β-ionone, progesterone, and testosterone with bisabolol and progesterone having the best fit with the active site or the highest affinity. This enzyme was converted into a more efficient peroxygenase, by mutation of residues in the I-helix, giving it the ability to oxidize these substrates using H₂O₂. It catalyzed the hydroxylation of progesterone into single major product, 2-hydroxyprogesterone. The oxidation of testosterone was less selective, generating 15- and 16α-hydroxytestosterone and androstenedione as the three major metabolites. The hydroxylation of β-ionone into (<em>S</em>)-4‑hydroxy-β-ionone was stereoselective (97 % e.e.). The oxidation of bisabolol generated several metabolites, with (1<em>R</em>,5<em>S</em>,7<em>S</em>)-5‑hydroxy-α-bisabolol, along with its (1<em>R</em>,5<em>R</em>,7<em>S</em>) isomer, being the major products. In this study, we demonstrated that CYP1597A2 from <em>M. gryphiswaldense</em>, has a versatile substrate range, so it could provide a platform for the modification of active site residues, through protein engineering, to generate bespoke and efficient isoprenoid oxidizing biocatalysts.</div></div>","PeriodicalId":393,"journal":{"name":"Molecular Catalysis","volume":"593 ","pages":"Article 115786"},"PeriodicalIF":4.9,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146186509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}