ChemistryOpen最新文献

{"title":"Front Cover: Panchromatic PAH-Porphyrin Hybrids with a Step-Wise Increasing π-System (ChemistryOpen 3/2025)","authors":"Christoph Oleszak,&nbsp;Christian L. Ritterhoff,&nbsp;Bernd Meyer,&nbsp;Norbert Jux","doi":"10.1002/open.202580301","DOIUrl":"https://doi.org/10.1002/open.202580301","url":null,"abstract":"<p><b>In the Front Cover</b>, two futuristic-looking machines make use of their robotic limbs to assemble glowing aromatic fragments around a Nickel-porphyrin. In this way, the modular approach of the synthetic strategy toward π-extended porphyrin-PAH hybrids is underlined. The machine to the right also contains several five-ring motifs to further highlight the <i>β</i>-<i>meso</i>-fusion step the work is centered around. The cover art was designed and made by Christoph Oleszak. More details can be found in the Research article by Bernd Meyer, Norbert Jux, and co-workers (DOI: 10.1002/open.202400481).<figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 3","pages":""},"PeriodicalIF":2.5,"publicationDate":"2025-03-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.202580301","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143581437","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}

{"title":"A Flexible and Stretchable Triboelectric Nanogenerator with Agarose/P(HEA-co-AA)-Al/NaCl Electrodes for Bio-Mechanical Energy Harvesting and Fall Detection.","authors":"Xiwei Liu, Hui Zhang","doi":"10.1002/open.202400394","DOIUrl":"https://doi.org/10.1002/open.202400394","url":null,"abstract":"<p><p>Recent advancements in wearable electronics for fall detection have shown significant potential, yet challenges remain in developing reliable, energy-efficient systems capable of continuous monitoring in real-world conditions. In this work, a double-network (DN) conductive hydrogel, comprising NaCl-coordinated agarose and poly (2-hydroxyethyl acrylate-co-acrylic acid) (Agarose/P(HEA-co-AA)-Al/NaCl) (APA-hydrogel), was synthesized. The agarose forms a stable first network, while the second network is established by P(HEA-co-AA) through aluminum ion coordination. Immersion in NaCl solution leads to the formation of hydrated sodium ions ([Na(H₂O)n]⁺), which are anchored within the hydrogel matrix via hydrogen bonding and metal coordination. The resulting APA-hydrogel was applied as a triboelectric nanogenerator (APA-TENG), demonstrating excellent performance with an open-circuit voltage of 900 V, a short-circuit current of 73.42 μA, and a peak power output of 3.52 mW at a 3 MΩ load. APA-TENG shows strong potential for energy harvesting and powering low-power devices, as well as real-time sensing for motion and fall detection, making it highly suitable for wearable and assistive technologies powered by human activity.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202400394"},"PeriodicalIF":2.5,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143556019","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of Ligands on the Surface Characteristics of CoMo/γ-Al₂O₃ and Hydrodesulfurization Catalytic Activity on Dibenzothiophene-Type Compounds.","authors":"Siphumelele Majodina, Ryan Walmsley, Alisa Govender, Eric C Hosten, Jaco Olivier, Zenixole Tshentu, Adeniyi S Ogunlaja","doi":"10.1002/open.202400123","DOIUrl":"https://doi.org/10.1002/open.202400123","url":null,"abstract":"<p><p>Refractory sulfur compounds in fuel oils combust, releasing sulfur oxides (SOx) into the atmosphere, which is a significant source of pollution. In this study, we focused on comparing the surface properties and hydrodesulfurization (HDS) activity of CoMo-(L)/γ-Al₂O₃ containing chelating ligands (L), specifically acetic acid (AA), with those of ethylenediaminetetraacetic acid (EDTA), citric acid (CA). CoMo/γ-Al₂O₃, CoMo-AA/γ-Al₂O₃, CoMo-EDTA/γ-Al₂O₃ and CoMo/γ-Al₂O₃ were prepared by hydrothermal treatment of the mixtures of Co(NO₃)₂.6H₂O and (NH₄)₆Mo₇O₂₄.4H₂O with stoichiometric Co/Mo ratios and enriched with chelating ligands (L=AA, CA and EDTA). Based on the product distributions of the hydrodesulfurization (HDS) of dibenzothiophene (DBT), a reaction pathway of dibenzothiophene (DBT) HDS was proposed to follow hydrogenation (HYD) and direct desulfurization (DDS) routes. In addition, the ligand modification of CoMo/γ-Al₂O₃ catalysts resulted in enhancement of surface properties and HDS activity which is in the order of CoMo-CA/γ-Al₂O₃ (98 %)> CoMo-AA/γ-Al₂O₃ (94 %) > CoMo-EDTA/γ-Al₂O₃ (90 %) > CoMo/γ-Al₂O₃ (43 %). CoMo-AA/γ-Al₂O₃ presented a higher HYD/DDS ratio compared to CoMo-CA/γ-Al₂O₃, CoMo-EDTA/γ-Al₂O₃, and CoMo/γ-Al₂O₃, respectively which makes it a promising HDS catalyst.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202400123"},"PeriodicalIF":2.5,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143540311","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Improved Synthesis of Dinuclear [M(μ-X)(η⁵-Cp*)X]₂ Precursors for Half-Sandwich Complexes (M=Rh or Ir; X=Br or I).","authors":"Kamila Petrželová, Ondřej Bárta, Renata Héžová, Alžběta Andrýsková, Jan Hošek, Pavel Štarha","doi":"10.1002/open.202500026","DOIUrl":"https://doi.org/10.1002/open.202500026","url":null,"abstract":"<p><p>The long-known dinuclear complexes of the general formula [M(μ-X)(η⁵-Cp*)X]₂ (1-4; M=Rh or Ir, X=Br or I; HCp*=pentamethylcyclopentadiene) represent important intermediates for the preparation of biologically (e. g., anticancer or antimicrobial) and catalytically active half-sandwich rhodium(III) and iridium(III) complexes. Here we report the optimized rapid microwave-assisted syntheses of the mentioned dinuclear synthons 1-4. With respect to their following synthetic utilization, we examined their antiproliferative activity in the representative human cancer cell lines, where they did not show any relevant cytotoxicity. However, the iridium complexes 3 and 4 exhibited considerable catalytic activity in a model transfer hydrogenation of acetophenone using propan-2-ol as the hydrogen source. The obtained comprehensive data sets can be useful in the evaluation of the ligand effects in complexes prepared from 1-4 and used in e. g. bioinorganic and catalytic applications.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500026"},"PeriodicalIF":2.5,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143540300","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficient Regioselective Iodination of Pyrazole Derivatives Mediated by Cadmium(II) Acetate.","authors":"Nina G Hobosyan, Kristine V Balyan, Lusine A Movsisyan, Varduhi S Hovsepyan, Armen G Ayvazyan, Henrik A Panosyan, Hovhannes S Attaryan, Hmayak B Sargsyan, Haykanush R Pogosyan","doi":"10.1002/open.202400443","DOIUrl":"https://doi.org/10.1002/open.202400443","url":null,"abstract":"<p><p>The present study focuses on the iodination of pyrazoles mediated by cadmium (II) acetate. The objects of research were compounds with pyrazole rings substituted by N-propargyl, C, N-alkyl groups. Depending on the molar ratios of the reagents effective ways of obtaining mono- and triiodo-substituted products with the participation of the propargylic fragment in DMSO were elucidated. Induced by the cadmium (II) acetate principles of electrophilic iodination of the C-4 position of the pyrazole ring containing electron-donating groups were revealed. The iodination of the pyrazole derivative with only propargylic substituent was found to target the CH-acidic center of the triple bond and to lead to the corresponding iodoalkyne. An iodo-substituted product with triple bond is more reactive and prone to further electrophilic iodination forming a triiodo-substituted derivative. The introduction of methyl groups in the pyrazole ring of derivatives with propargylic substituent contributed to the promotion of competitive iodination reactions due to the increase in nucleophilicity of the pyrazole ring. Dimerized pyrazole rings with carbon atoms in the 4-th position did not succeed in being iodinated by the mentioned way. Possible pathways for both triple bond and pyrazole ring iodination involving acetyl hypoiodite were proposed.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202400443"},"PeriodicalIF":2.5,"publicationDate":"2025-02-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143522742","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Node Modification of Metal-Organic Frameworks for Catalytic Applications.","authors":"Mario Martos, Isidro M Pastor","doi":"10.1002/open.202400428","DOIUrl":"https://doi.org/10.1002/open.202400428","url":null,"abstract":"<p><p>Metal-organic frameworks (MOFs) have been a breakthrough in different fields of chemistry, not only due to the extensive possibilities regarding their synthesis, but also the ease of modulation of the structure's properties by chemical modification of linkers and nodes. The latter is particularly interesting in heterogeneous catalysis, as the newly inserted species may enhance, regulate, or straight enable new forms of catalysis unattainable by the pristine material. This acts in conjunction with the parent MOFs providing selectivity (e. g., by size exclusion) and protecting highly reactive catalytic species, offering increased stability and robustness to well-known catalytic systems. In this review, we compile the most relevant post-synthetic modification of the nodes of well-known MOFs of the last decade (2015-2024) and their application to heterogeneous catalysis. This review is divided into two main sections covering modifications involving metallic species and organic moieties, with sub-sections for each MOF on both. This way, we aim to provide a broad view of the state of the art while showcasing the expanded catalytic properties of the resulting materials.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202400428"},"PeriodicalIF":2.5,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143514827","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Hydrogen Storage and Release via Carbon Dioxide Hydrogenation to Formate Salts under High-Pressure Conditions with Ir Complex and Subsequent Formic Acid Dehydrogenation.","authors":"Seo Ono, Ryoichi Kanega, Hajime Kawanami","doi":"10.1002/open.202500032","DOIUrl":"https://doi.org/10.1002/open.202500032","url":null,"abstract":"<p><p>To investigate the potential of formic acid (FA) as a hydrogen carrier, we examined hydrogen storage and production through formate salts generated via CO₂ reduction under supercritical fluid conditions. Formate salts were synthesized using Cp*Ir homogeneous catalysts to reduce CO₂ under supercritical conditions (CO₂: 12 MPa; H₂: 0.5 MPa; total 12.5 MPa), achieving turnover frequency (TOF) of 10,240 h^-1 and a turnover number (TON) of 20,480 within 2 h at 50 °C. The maximum formate concentration reached 0.81 mol/L after 18 h. The resulting formate salt solution (0.81 mol/L) was subsequently converted into FA (0.50 mol/L) with a 96 % yield by exchange of the cation (K + to H +) using an ion exchange resin. FA was then dehydrogenated to regenerate hydrogen, achieving a FA conversion exceeding 98 %. This process yielded an overall hydrogen recovery rate of over 90 %. These findings demonstrate a viable method for hydrogen storage and regeneration using formate salts as an efficient hydrogen carrier for future energy applications.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500032"},"PeriodicalIF":2.5,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143490995","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Machine Learning-Based High-Throughput Screening, Molecular Modeling and Quantum Chemical Analysis to Investigate Mycobacterium tuberculosis MetRS Inhibitors.","authors":"Rajesh Maharjan, Kalpana Gyawali, Arjun Acharya, Madan Khanal, Kamal Khanal, Mohan Bahadur Kshetri, Madhav Prasad Ghimire, Tika Ram Lamichhane","doi":"10.1002/open.202400460","DOIUrl":"https://doi.org/10.1002/open.202400460","url":null,"abstract":"<p><p>The increasing drug resistance of Mycobacterium tuberculosis (Mtb) complicates its effective treatment and often leads to severe side effects. This research aims to pinpoint the potential drug candidates targeting Mtb methionyl-tRNA synthetase (MtbMetRS) using in silico techniques. Employing machine learning algorithms, including Random Forest, Extra Trees, and Nu-Support Vector, a voting classifier was built to screen 10 million molecules. A total of 590 molecules were filtered and analyzed for mutagenicity and other toxicities, resulting in 169 candidates for molecular docking. Among these, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenylsulfanylethanone (L1) and 1-ethyl-6-fluoro-4-oxo-7-(4-pentanoylpiperazin-1-yl)quinoline-3-carboxylic acid (L2) demonstrated strong binding affinities (-12.74 kcal/mol for L1 and -11.83 kcal/mol for L2) and favorable pharmacokinetic properties. MM/PBSA, DFT calculations, and LD₅₀ values supported their stability, reactive nature, and safer toxicity profile, respectively. L1 and L2 are investigated as potential inhibitors of MtbMetRS; however, additional in vitro and in vivo investigations are necessary to confirm these findings.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202400460"},"PeriodicalIF":2.5,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143491002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Efficient Production and Isolation of 3-Acetamido-5-Acetylfuran from N-Acetyl-D-Glucosamine within Protic Ionic Liquids.","authors":"Emma L Matthewman, Jonathan Sperry, Cameron C Weber","doi":"10.1002/open.202500094","DOIUrl":"https://doi.org/10.1002/open.202500094","url":null,"abstract":"<p><p>The transformation of chitin and its monomer N-acetylglucosamine (NAG) to high-value organonitrogen chemicals has attracted increasing interest, with 3-acetamido-5-acetylfuran (3A5AF) proposed as a versatile platform chemical. The preparation of 3A5AF from NAG has relied on high boiling organic solvents, ionic liquids (ILs) or deep eutectic solvents (DES). While these methods have met with some success, the isolation of 3A5AF and recycling of the solvent remains problematic for non-IL methods whereas most IL methods utilize inherently expensive aprotic ILs with substantial environmental footprints. This study details the preparation of 3A5AF in more cost-effective chloride-based protic ILs (PILs) with lower synthetic footprints than conventional ILs. Maximum yields of 42.5 %, 51.5 % and 57.0 % of 3A5AF were afforded in 1,8-diazabicyclo[5.4.0]undec-7-ene chloride ([DBU]Cl), tripropylammonium chloride ([TPA]Cl) and tributylammonium chloride ([TBA]Cl) respectively with 2 eq. B(OH)₃ at 150 °C. The 3A5AF formed was readily isolated by simple solvent extraction, avoiding column chromatography, with selected systems displaying good recyclability and scalability. E-factor calculations revealed that the PIL methodology produced substantially less waste than approaches for the production of 3A5AF from molecular solvents and DES, highlighting that PILs are suitable solvents for the sustainable production of 3A5AF.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202500094"},"PeriodicalIF":2.5,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143490993","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Improving the OER Activity of Titania Via Doping and Adlayers.","authors":"Anna Gomer, Thomas Bredow","doi":"10.1002/open.202400085","DOIUrl":"https://doi.org/10.1002/open.202400085","url":null,"abstract":"<p><p>The oxygen evolution reaction (OER) was investigated theoretically on modified rutile(110) surfaces at density functional theory level in search for inexpensive but active catalyst materials required for water electrolysis. Ti substitution by Nb in rutile and furthermore adding adlayers of transition metal (TM) oxides, with TM <math><semantics><mo>=</mo> <annotation>${ = }$</annotation> </semantics> </math> Ir, Ru and Rh, substantially improves titania OER activity. The catalytic activity was assessed by the overpotential of the OER which was calculated from adsorption energies of the intermediates M-O, M-OH and M-OOH. Different reaction mechanisms were suggested depending on the presence or absence of M-OOH. Materials with iridium dioxide in the top layer have similar overpotentials, both as adlayer on (doped) <math> <semantics><msub><mi>TiO</mi> <mn>2</mn></msub> <annotation>${{rm{TiO}}_{rm{2}} }$</annotation> </semantics> </math> and as pure <math> <semantics><msub><mi>IrO</mi> <mn>2</mn></msub> <annotation>${{rm{IrO}}_{rm{2}} }$</annotation> </semantics> </math> . Thus, the percentage of this expensive and scarce element can be drastically reduced without deteriorating the activity. A monolayer of <math> <semantics><msub><mi>RuO</mi> <mn>2</mn></msub> <annotation>${{rm{RuO}}_{rm{2}} }$</annotation> </semantics> </math> on rutile <math> <semantics><msub><mi>TiO</mi> <mn>2</mn></msub> <annotation>${{rm{TiO}}_{rm{2}} }$</annotation> </semantics> </math> has an even lower overpotential compared to pure <math> <semantics><msub><mi>RuO</mi> <mn>2</mn></msub> <annotation>${{rm{RuO}}_{rm{2}} }$</annotation> </semantics> </math> . In addition, <math> <semantics><msub><mi>RhO</mi> <mn>2</mn></msub> <annotation>${{rm{RhO}}_{rm{2}} }$</annotation> </semantics> </math> and <math> <semantics><msub><mi>RhO</mi> <mn>2</mn></msub> <annotation>${{rm{RhO}}_{rm{2}} }$</annotation> </semantics> </math> : <math> <semantics> <mrow><msub><mi>Nb</mi> <mrow><mn>1</mn> <mo>/</mo> <mn>3</mn></mrow> </msub> <msub><mi>Ti</mi> <mrow><mn>2</mn> <mo>/</mo> <mn>3</mn></mrow> </msub> <msub><mi>O</mi> <mn>2</mn></msub> </mrow> <annotation>${{rm{Nb}}_{{rm{1/3}}} {rm{Ti}}_{{rm{2/3}}} {rm{O}}_{rm{2}} }$</annotation> </semantics> </math> were identified as catalysts with higher OER activity than <math> <semantics><msub><mi>IrO</mi> <mn>2</mn></msub> <annotation>${{rm{IrO}}_{rm{2}} }$</annotation> </semantics> </math> .</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202400085"},"PeriodicalIF":2.5,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143490998","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}