ChemistryOpen最新文献

Nitrogen-Rich 5,5'-Azotetrazolates: A Broad Spectrum of Technologically Accessible Gas-Generating Pyrotechnic Materials. 富氮的5,5'-氮四唑酸盐：一种广泛的技术上可获得的气体生成烟火材料。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-09-01 DOI: 10.1002/open.70288

Adam Votýpka, Robert Matyáš, Jakub Mikuláštík, Aleš Růžička, Zdeňka Růžičková, Jan Zigmund, Miroslav Labaj, Martin Adam, Zdeněk Jalový

{"title":"Nitrogen-Rich 5,5'-Azotetrazolates: A Broad Spectrum of Technologically Accessible Gas-Generating Pyrotechnic Materials.","authors":"Adam Votýpka, Robert Matyáš, Jakub Mikuláštík, Aleš Růžička, Zdeňka Růžičková, Jan Zigmund, Miroslav Labaj, Martin Adam, Zdeněk Jalový","doi":"10.1002/open.70288","DOIUrl":"10.1002/open.70288","url":null,"abstract":"Ten 5,5'-azotetrazolate salts with nitrogen-rich bases was prepared and evaluated as technologically accessible gas-generating materials. In addition to sufficient performance, the development focused on safety, reliable handling, and environmental responsibility, as essential factors for evaluating compounds intended for controlled gas generation. The azo and tetrazole framework combines high nitrogen content with favorable energetic characteristics, making it an attractive platform for applications requiring rapid, controlled gas release. The prepared salts were evaluated for their physicochemical and safety-relevant properties, including bulk density, hygroscopicity, and mechanical sensitivity. The structures of several compounds were determined by X-ray analysis of single-crystalline material. The ballistic properties were calculated for both the compounds themselves and their mixtures with the oxidizers potassium perchlorate and strontium nitrate, which ensure the required reaction rate while producing nontoxic gaseous and solid products. Several compounds showed advantageous combinations of high bulk density, low-to-moderate hygroscopicity, and favorable impact and friction sensitivities, resulting in performance comparable to that of currently used materials or commonly cited high-potential candidates for gas-generating components in various safety systems.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 9","pages":"e70288"},"PeriodicalIF":3.0,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13527586/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148863673","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Iron-Based Catalysts on Tailored Alumina Supports for CO_x-Free Methane Decomposition to H₂ and Carbon. 定制氧化铝载体上的铁基催化剂对无氧化酶甲烷分解成H2和碳的影响。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-09-01 DOI: 10.1002/open.70282

Hajer S Alturki, Seham S Alterary, Abdulaziz A M Abahussain, Ahmed I Osman, Mohammed O Bayazed, Ahmed A Ibrahim, Naif Alarifi, Fahad S Almubaddel, Alaaddin M M Saeed, Rawesh Kumar, Ahmed S Al-Fatesh

{"title":"Iron-Based Catalysts on Tailored Alumina Supports for COx-Free Methane Decomposition to H2 and Carbon.","authors":"Hajer S Alturki, Seham S Alterary, Abdulaziz A M Abahussain, Ahmed I Osman, Mohammed O Bayazed, Ahmed A Ibrahim, Naif Alarifi, Fahad S Almubaddel, Alaaddin M M Saeed, Rawesh Kumar, Ahmed S Al-Fatesh","doi":"10.1002/open.70282","DOIUrl":"10.1002/open.70282","url":null,"abstract":"Methane decomposition is a COx-free process for hydrogen generation that also produces valuable carbon nanostructures. The work herein focused on Fe-based catalysts supported on some common supports (Al2O3, ZrO2, SiO2) and on alumina modified by metal oxides (10SiAl, 10ZrAl, 10YAl, 10CeAl). The prepared catalysts were characterized in detail by XRD, BET, TEM, TPR, TGA, and Raman spectroscopy. Among the single-component supports, the 20Fe/Al2O3 (Fe-Al) catalyst exhibited the highest initial activity, with 69.4% CH4 conversion. Among all the catalysts studied, Fe-10ZrAl showed the best catalytic activity with a maximum CH4 conversion (76.5%) and H2 yield (74.1%). Furthermore, during regeneration cycles, the catalyst maintained CH4 conversion (90%) without detrimental carbon encapsulation. The performance of Fe-10ZrAl is attributed to the synergistic effect of the ZrO2 modifier which improves strong metal-support interactions, stabilizes active iron nanoparticles from thermal sintering, and allows a highly reversible in-situ carbide cycle. The Fe-10ZrAl catalyst is the most active, followed by the Fe-10YAl catalyst, owing to its improved reducibility. Our work demonstrates the key role of modified alumina structures for sustainable co-production of hydrogen and nanomaterials.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 9","pages":"e70282"},"PeriodicalIF":3.0,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13533779/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148873218","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Cyclodextrin-Based Supramolecular Complex Modulates the Bioaccessibility and Vascular Activity of Plinia peruviana Extract. 基于环糊精的超分子复合物调控白松子提取物的生物可及性和血管活性。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-09-01 DOI: 10.1002/open.70266

Priscila L Paula, Nubia B Andrade, Matheus T Branca, Lucas de Araújo Carvalho, Bruno A de Oliveira, Adilson D da Silva, Angela C Resende, Lara M Campos, José Maria Barbosa-Filho, Luiz Fernando C Oliveira, Vinícius N Rocha, Ângelo Márcio L Denadai, Rodrigo L Fabri

{"title":"Cyclodextrin-Based Supramolecular Complex Modulates the Bioaccessibility and Vascular Activity of Plinia peruviana Extract.","authors":"Priscila L Paula, Nubia B Andrade, Matheus T Branca, Lucas de Araújo Carvalho, Bruno A de Oliveira, Adilson D da Silva, Angela C Resende, Lara M Campos, José Maria Barbosa-Filho, Luiz Fernando C Oliveira, Vinícius N Rocha, Ângelo Márcio L Denadai, Rodrigo L Fabri","doi":"10.1002/open.70266","DOIUrl":"10.1002/open.70266","url":null,"abstract":"Cardiovascular diseases remain a major global health challenge, driving the search for plant-derived bioactive systems with improved pharmaceutical performance. Plinia peruviana, a Brazilian native species, is a rich source of phenolic compounds with well-documented biological activities. However, limitations related to physicochemical instability and low oral bioavailability hinder its practical application. Herein, a supramolecular complex between the ethanolic extract of P. peruviana branches and β-cyclodextrin was developed to improve the biopharmaceutical properties of the extract. Total phenolic content was determined by visible spectrophotometry, while inclusion complex formation was confirmed by nuclear magnetic resonance and Raman spectroscopy. Vasodilatory activity was evaluated through ex vivo vascular reactivity assays using isolated mesenteric arterial beds, and oral safety was assessed in acute and subchronic exposure models following internationally accepted guidelines. In addition, simulated gastrointestinal digestion was employed to investigate phenolic stability and bioaccessibility. The supramolecular complex exhibited biologically relevant vasodilatory activity, showed low oral toxicity, and significantly enhanced the intestinal bioaccessibility of phenolic compounds. Overall, these findings demonstrate that cyclodextrin-based supramolecular systems represent a promising pharmaceutical delivery strategy for improving the biopharmaceutical performance of phenolic-rich plant extracts through enhanced intestinal bioaccessibility and a favorable oral safety profile. These characteristics support their further investigation as plant-based delivery systems for future phytopharmaceutical development for cardiovascular applications.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 9","pages":"e70266"},"PeriodicalIF":3.0,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13542568/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148886415","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis of Sulfonamides in the Biobased Solvent Cyrene 生物基溶剂苯乙烯中磺胺类化合物的合成。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-08-27 DOI: 10.1002/open.70290

Michela Galli, Andrea Fulminante, Alessandro Fiori, Valerio Fasano, Alessandra Silvani, Daniele Passarella, Andrea Citarella

{"title":"Synthesis of Sulfonamides in the Biobased Solvent Cyrene","authors":"Michela Galli, Andrea Fulminante, Alessandro Fiori, Valerio Fasano, Alessandra Silvani, Daniele Passarella, Andrea Citarella","doi":"10.1002/open.70290","DOIUrl":"10.1002/open.70290","url":null,"abstract":"A versatile protocol for the synthesis of sulfonamides using the biobased solvent Cyrene as reaction medium is reported. A wide range of primary and secondary amines were successfully employed, demonstrating the broad applicability of the method. The reactions proceed at room temperature and typically reach completion within 30–60 min. The resulting 20 sulfonamide products were isolated in good to high yields (up to 90%) by simple precipitation, upon addition of cold water and mild acid, without the need for chromatographic separation. The identified procedure offers an improved environmental profile, while maintaining high efficiency. Cyrene can be recovered and reused without loss of efficiency: Through a two-step extraction and filtration process, up to 79% of the solvent was successfully recovered and reused in a subsequent reaction cycle, furnishing the product in a yield comparable to that of the first cycle. Overall, this methodology provides a practical, mild, scalable, and more sustainable approach to sulfonamide synthesis.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70290","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148825368","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis of Chalcone-Sulfonamide Hybrids as Antibacterial, Antioxidant, and Anti-Inflammatory Agents With Comprehensive In Silico and ADMET Profiling 作为抗菌、抗氧化和抗炎剂的查尔酮-磺酰胺杂化合物的合成及其综合硅和ADMET谱分析。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-08-27 DOI: 10.1002/open.70292

Mlis Belete, Endale Mulugeta, Daniel Rentsch, Muhdin Aliye, Kebede Shenkutie, Yadessa Melaku

{"title":"Synthesis of Chalcone-Sulfonamide Hybrids as Antibacterial, Antioxidant, and Anti-Inflammatory Agents With Comprehensive In Silico and ADMET Profiling","authors":"Mlis Belete, Endale Mulugeta, Daniel Rentsch, Muhdin Aliye, Kebede Shenkutie, Yadessa Melaku","doi":"10.1002/open.70292","DOIUrl":"10.1002/open.70292","url":null,"abstract":"Chalcone-sulfonamide hybrids (12a–h) were synthesized via Claisen–Schmidt condensation in good yields (64%–83%) and confirmed by NMR spectroscopy. The compounds exhibited moderate to good antibacterial activity against Gram-negative (Escherichia coli, Pseudomonas aeruginosa) and Gram-positive (Staphylococcus aureus, Streptococcus pyogenes) bacteria, with inhibition zones of up to 14.7 mm at 10 mg/mL, lower than that of sulfamethoxazole but comparable to that of related hybrids. DPPH antioxidant evaluation revealed IC50 values of 5.2–11.8 μg/mL, with compounds 12e and 12c exhibiting the highest activity. Additionally, compound 12e had the strongest protein denaturation inhibition (IC50 = 29.89 µg/mL), while 12g and 12h showed superior anti-proteinase activity (IC50 = 115.6 and 112.2 µg/mL), outperforming diclofenac sodium. Molecular docking against DHPS (1AJ0, 1AD4), myeloperoxidase (1DNU), COX-2 (5IKR), and topoisomerase IIα (4FM9) showed strong binding affinities (−8.3 to −10.3 kcal/mol), supported by key hydrogen–bonding and hydrophobic interactions. SwissADME and ProTox II analyses indicate favorable drug-like properties, including Lipinski compliance, high GI absorption, no BBB penetration, and low predicted toxicity (LD50 > 6000 mg/kg). The hybrids presented here represent promising multifunctional leads with antibacterial, antioxidant, anti-inflammatory, and drug-like properties.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70292","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148825267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Mechanically Interlocked Molecules: A Supramolecular Computational Picture of Rotaxane-Based Switches, Shuttles, and Tristable Devices in Solution 机械互锁分子：溶液中基于轮烷的开关、穿梭器和可稳定器件的超分子计算图。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-08-25 DOI: 10.1002/open.70291

Costantino Zazza

{"title":"Mechanically Interlocked Molecules: A Supramolecular Computational Picture of Rotaxane-Based Switches, Shuttles, and Tristable Devices in Solution","authors":"Costantino Zazza","doi":"10.1002/open.70291","DOIUrl":"10.1002/open.70291","url":null,"abstract":"This contribution highlights a coherent series of recent computational studies devoted to the theoretical characterization of mechanically interlocked molecules (MIMs)—specifically [2]rotaxane molecular shuttles and switches—in organic solvents. Combining density functional theory (DFT) and all-atoms molecular dynamics (MD) with the quantum theory of atoms in molecules (QTAIM) and the independent gradient model based on Hirshfeld partition (IGMH), a first-principles picture of the noncovalent and covalent interactions, repertoire that governs macrocycle translocation, metal-induced locking, and stimuli-responsive switching, has emerged. Distinct rotaxane platforms in different exercise conditions suggest that theoretical investigations can quantitatively reproduce and rationalize conformational shaping and spectroscopic observables, thereby providing a design roadmap for next-generation soft molecular machines of increasing complexity and functionalities. In this respect, the simulation scenario is further enriched by a self-consistent graphical visualization of both covalent and noncovalent interactions combining new computational strategies like the interaction region indicator (IRI) and the local electron energy density H(r) (GLED) descriptors over supramolecular assemblies of hundreds of atoms at the DFT cost.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-08-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13507713/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148817406","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Targeting the ERK2 Signaling Pathway With Frog Skin-Derived Bioactive Peptides: Insights From Molecular Modeling, Molecular Dynamics, and Physicochemical Features 用青蛙皮肤衍生的生物活性肽靶向ERK2信号通路：来自分子建模、分子动力学和物理化学特征的见解。

IF 3 4区化学

ChemistryOpen Pub Date : 2026-08-24 DOI: 10.1002/open.70295

Nahlah Makki Almansour, Mahmoud M. H. Abdelhamid, Zahraa Alali, Mahmoud A. A. Ibrahim

{"title":"Targeting the ERK2 Signaling Pathway With Frog Skin-Derived Bioactive Peptides: Insights From Molecular Modeling, Molecular Dynamics, and Physicochemical Features","authors":"Nahlah Makki Almansour, Mahmoud M. H. Abdelhamid, Zahraa Alali, Mahmoud A. A. Ibrahim","doi":"10.1002/open.70295","DOIUrl":"10.1002/open.70295","url":null,"abstract":"ERK2 plays a vital function in promoting cell survival and proliferation by phosphorylating various substrates. ERK2 is a key druggable target owing to its function in uncontrolled cell proliferation and cancer, making selective ERK2 inhibitors essential for treating aggressive malignancies. Peptides are promising therapeutic agents with strong biological activity, and frog skin-derived peptides have shown notable anticancer potential. Seventeen curated frog skin-derived anticancer peptides were modeled and docked against the ERK2 D-recruitment site (DRS) using HADDOCK2.4 software. The predicted peptide-DRS complexes were introduced to molecular dynamics simulations (MDS), and their binding energies (ΔGbinding) were evaluated utilizing the MM/GBSA approach. Upon MM/GBSA//200 ns MDS, dermaseptin-B3, dermaseptin-PD-1, and ascaphin-8 showed better binding affinities against ERK2 DRS, with ΔGbinding values of −77.8, −74.1, and −56.7 kcal/mol, respectively, compared with the structurally resolved DRS-binding reference peptide KIM-MAP3 (ΔGbinding = −51.5 kcal/mol). Post-MD analyses, including binding energy per trajectory and RMSD analyses, affirmed the great stability of the identified peptides complexed with ERK2 DRS over 200 ns MDS. The predicted physicochemical features of the identified peptides indicated favorable functional potential. Collectively, these computational outcomes highlighted dermaseptin-B3, dermaseptin-PD-1, and ascaphin-8 as promising ERK2 DRS-binding candidates. Further experimental validation is required to confirm their functional inhibitory activity.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13504238/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148812030","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Efficient One-Pot Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using GO@SiO2@[(CH2)3Im][Cl] as a Novel Nanocomposite Under MW Irradiation 微波辐照下GO@SiO2@[(CH2)3Im][Cl]一锅高效合成1,2,4,5-四取代咪唑纳米复合材料

IF 3 4区化学

ChemistryOpen Pub Date : 2026-08-24 DOI: 10.1002/open.70281

Mohamed Abu Shuheil, Afaq Mahdi Ali, Mekkanti Manasa Rekha, Subhashree Ray, Talal Aziz Qassem, T. Krithiga, Renu Sharma, Prakhar Tomar, Reza Mohammadi

{"title":"Efficient One-Pot Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using GO@SiO2@[(CH2)3Im][Cl] as a Novel Nanocomposite Under MW Irradiation","authors":"Mohamed Abu Shuheil, Afaq Mahdi Ali, Mekkanti Manasa Rekha, Subhashree Ray, Talal Aziz Qassem, T. Krithiga, Renu Sharma, Prakhar Tomar, Reza Mohammadi","doi":"10.1002/open.70281","DOIUrl":"10.1002/open.70281","url":null,"abstract":"This study presents the development of a novel nanocomposite catalyst, GO@SiO2@[(CH2)3Im][Cl], for the efficient one-pot synthesis of 1,2,4,5-tetrasubstituted imidazoles under environmentally benign conditions. The catalyst design incorporates graphene oxide, silica, and an imidazolium-functionalized layer, creating a unique catalytic environment for the multicomponent reaction. Thorough characterization of the catalyst was performed using various analytical techniques, including FT-IR, XRD, SEM, TEM, and BET surface area analysis, confirming its successful synthesis and structural integrity. Under optimized solvent-free conditions and microwave irradiation, the reaction proceeds rapidly at room temperature, achieving excellent yields (90%–98%). Notably, the catalyst could be reused for up to seven consecutive cycles with minimal loss of activity and exhibits remarkable efficiency in promoting the four-component condensation of ammonium acetate, a substituted aniline, a substituted benzaldehyde, and benzil to form highly functionalized imidazoles in 18 examples. This sustainable approach represents a significant advancement over traditional methods, which often require harsh conditions, extended reaction times, and generate substantial waste. The use of microwave irradiation, coupled with a solvent-free protocol and room-temperature conditions, aligns perfectly with green chemistry principles. This work provides a practical and sustainable route to important heterocyclic scaffolds. It highlights the potential of rationally designed nanocomposite catalysts in developing more environmentally friendly synthetic processes for complex organic transformations.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13504236/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148812041","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

An Effect of Preparation Temperature on the Structure and Reactivity of Supported Ni–Cu Bimetallic Nanoparticles in Benzyl Phenyl Ether Hydrogenolysis 制备温度对负载型Ni-Cu双金属纳米颗粒在苯基苯醚氢解中结构和反应活性的影响

IF 3 4区化学

ChemistryOpen Pub Date : 2026-08-21 DOI: 10.1002/open.70287

Raphaël Abolivier, Hans-Georg Eckhardt, Jimmy Muldoon, Michael Fay, James A. Sullivan

{"title":"An Effect of Preparation Temperature on the Structure and Reactivity of Supported Ni–Cu Bimetallic Nanoparticles in Benzyl Phenyl Ether Hydrogenolysis","authors":"Raphaël Abolivier, Hans-Georg Eckhardt, Jimmy Muldoon, Michael Fay, James A. Sullivan","doi":"10.1002/open.70287","DOIUrl":"https://doi.org/10.1002/open.70287","url":null,"abstract":"A set of four H-ZSM-5-supported Ni–Cu-containing materials with 5% Ni-1% Cu loadings was prepared. The effect of using different reduction protocols (non-reduced reference; H2 reduction at Tred.: 300; 400 and 500 °C) during the materials’ preparation was monitored to investigate the effect of this parameter on their microstructural features and their catalytic properties in a hydrogenolysis reaction. The variation of the reduction temperature has a direct effect on the composition and thus the separation of Ni atoms within the bimetallic nanoparticles and this in-turn affects their reactivities for the hydrogenolysis of benzyl phenyl ether (a lignin model compound). Alloy Cu/Ni-containing nanoparticles (confirmed by p-XRD) prepared by reduction at 400 °C containing relatively more separated Ni atoms (observed using transmission electron microscopy - energy dispersive x-ray spectroscopy (TEM-EDX)) were found to be more active in the reaction of interest than catalysts prepared using a reduction at 500 °C which had higher Ni contents (but lower Ni within particle separations).","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-08-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70287","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148785120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Integrative Phytochemical, Antioxidant, and NLRP3-Linked and Anti-Inflammatory Evaluation of Salvia balansae (Aurès Chemotype): Insights Into Its Safety and Therapeutic Potential 鼠尾草（aur<s:1>化学型）的综合植物化学、抗氧化、nlrp3相关和抗炎评价：其安全性和治疗潜力的见解

IF 3 4区化学

ChemistryOpen Pub Date : 2026-08-20 DOI: 10.1002/open.70280

Khadra Afaf Bendrihem, Messaoud Hachemi, Mohamed Aimene Mihoubi, Fares Mohamed Amine, Majid Sharifi-Rad, Dalal Houhou, Rahma Guemmaz, Khaled Kherraz, Azzeddine Zeraib, Assia Abdelmalek, Aicha Mouane, Nour Elhouda Ayeb, Chawki Bensuici, Maria Chikha, Kamel Nagaz, Ayomide Victor Atoki, Mohammed Messaoudi

{"title":"Integrative Phytochemical, Antioxidant, and NLRP3-Linked and Anti-Inflammatory Evaluation of Salvia balansae (Aurès Chemotype): Insights Into Its Safety and Therapeutic Potential","authors":"Khadra Afaf Bendrihem, Messaoud Hachemi, Mohamed Aimene Mihoubi, Fares Mohamed Amine, Majid Sharifi-Rad, Dalal Houhou, Rahma Guemmaz, Khaled Kherraz, Azzeddine Zeraib, Assia Abdelmalek, Aicha Mouane, Nour Elhouda Ayeb, Chawki Bensuici, Maria Chikha, Kamel Nagaz, Ayomide Victor Atoki, Mohammed Messaoudi","doi":"10.1002/open.70280","DOIUrl":"https://doi.org/10.1002/open.70280","url":null,"abstract":"Salvia balansae, an endemic Algerian species, remains poorly investigated despite the recognized medicinal importance of the Salvia genus. This study comprehensively evaluated its phytochemical composition, biological activities, and safety profile. Quantitative analyses revealed high levels of total phenolics, flavonoids, flavonols, condensed tannins, and triterpenoids, while LC–MS identified a distinctive Aurès-region chemotype enriched in luteolin, rosmarinic acid, and flavonoid glycosides. The extract demonstrated strong antioxidant activity in free radical-scavenging, metal-chelating, and reducing-power assays. Anti-inflammatory activity was confirmed by inhibition of protein denaturation in vitro and significant suppression of croton oil-induced ear edema and histopathological damage in vivo. Molecular docking predicted favorable binding of salvianolic acid, rutin, and apigenin-7-O-glucoside to NLRP3 inflammasome components, suggesting a potential mechanism underlying the observed anti-inflammatory effects. The extract also exhibited moderate inhibitory activity against cholinesterases and α-amylase, indicating possible neuroprotective and antidiabetic potential. Acute oral toxicity testing at 2000 mg/kg showed no mortality, major clinical signs of toxicity, or apparent organ damage, although repeated-dose studies are warranted. Collectively, these findings identify S. balansae as a polyphenol- and triterpenoid-rich species with considerable promise for pharmaceutical and nutraceutical applications.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"15 9","pages":""},"PeriodicalIF":3.0,"publicationDate":"2026-08-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.70280","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148784722","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0