ChemPlusChem最新文献_第8页

Platelet Ceria Catalysts from Solution Combustion and Effect of Iron Doping for Synthesis of Dimethyl Carbonate from CO2 溶液燃烧生成的小板铈催化剂及掺铁对二氧化碳合成碳酸二甲酯的影响

IF 3.4 4区化学

ChemPlusChem Pub Date : 2024-09-20 DOI: 10.1002/cplu.202400521

Nicoletta Rusta, Valentina Mameli, Pier Carlo Ricci, Stefania Porcu, Panpailin Seeharaj, Aryane Marciniak, Evelyn Santos, Odivaldo Cambraia Alves, Claudio Mota, Elisabetta Rombi, Carla Cannas

{"title":"Platelet Ceria Catalysts from Solution Combustion and Effect of Iron Doping for Synthesis of Dimethyl Carbonate from CO2","authors":"Nicoletta Rusta, Valentina Mameli, Pier Carlo Ricci, Stefania Porcu, Panpailin Seeharaj, Aryane Marciniak, Evelyn Santos, Odivaldo Cambraia Alves, Claudio Mota, Elisabetta Rombi, Carla Cannas","doi":"10.1002/cplu.202400521","DOIUrl":"https://doi.org/10.1002/cplu.202400521","url":null,"abstract":"Solution combustion (SC) remains among the most promising synthetic strategies for the production of crystalline nanopowders from an aqueous medium, due to its easiness, time and cost-effectiveness, scalability and eco-friendliness. In this work, this method was selected to obtain anisometric ceria-based nanoparticles applied as catalysts for the direct synthesis of dimethyl carbonate. The catalytic performances were studied for the ceria and Fe-doped ceria from SC (CeO2-SC, Ce0.9Fe0.1O2-SC) in comparison with the ceria nanorods (CeO2-HT, Ce0.9Fe0.1O2-HT) obtained by hydrothermal (HT) method, one of the most studied systems in the literature. Indeed, the ceria nanoparticles obtained by SC were found to be highly crystalline, platelet-shaped, arranged in a mosaic-like assembly and with smaller crystallite size (≈6 nm vs. ≈17 nm) and higher surface area (80 m2 g-1vs. 26 m2 g-1) for the undoped sample with respect to the Fe-doped counterpart. Although all samples exhibit an anisometric morphology that should favor the exposition of specific crystalline planes, HT-samples showed better performances due to higher oxygen vacancies concentration and lower amount of strong basic and acid sites.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"102 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142255838","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}

引用次数: 0

Interplay between the N→C Dative Bond, Intramolecular Chalcogen Bond and π Conjugation in the Complexes Formed by Cyclo[18]carbon and C14 Polyyne with 1,2,5-Chalcogenadiazoles 环[18]碳和 C14 聚炔与 1,2,5-Chalcogenadiazoles 形成的复合物中 N→C 衍生键、分子内链原键和π共轭之间的相互作用

IF 3.4 4区化学

ChemPlusChem Pub Date : 2024-09-20 DOI: 10.1002/cplu.202400557

Weizhou Wang, Yu Zhang

{"title":"Interplay between the N→C Dative Bond, Intramolecular Chalcogen Bond and π Conjugation in the Complexes Formed by Cyclo[18]carbon and C14 Polyyne with 1,2,5-Chalcogenadiazoles","authors":"Weizhou Wang, Yu Zhang","doi":"10.1002/cplu.202400557","DOIUrl":"https://doi.org/10.1002/cplu.202400557","url":null,"abstract":"The N→C dative bond (DB), intramolecular chalcogen bond and π conjugation play important roles in determining the structures and properties of some molecular carbon materials and organic/polymeric photovoltaic materials. In this work, the interplay between the N→C dative bond, intramolecular chalcogen bond and π conjugation in the complexes formed by cyclo[18]carbon and C14 polyyne with 1,2,5-chalcogenadiazoles has been investigated in detail by using reliable quantum chemical calculations. This study has made four main findings. First, only the Te-containing complexes bound by N→C dative bonds are much more stable than their corresponding van der Waals (vdW) complexes. Second, in addition to through-bond π conjugations, through-space π conjugations also exist in some Se/Te-containing complexes bound by N→C dative bonds. Third, the cooperativity between intramolecular chalcogen bond, π conjugation between two monomers and N→C dative bond is not very strong and can be ignored. Fourth, compared to π conjugations, intramolecular Ch···C (Ch = O, S, Se, Te) chalcogen bonds play a secondary role in stabilizing the complexes bound by N→C dative bonds. These findings clearly indicate that the role of “conformational lock”, popular in the field of organic optoelectronic materials, may have been greatly overestimated.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"211 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142255836","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}

引用次数: 0

A QSPR Model for Henry’s Law Constants of Organic Compounds in Water and Ethanol for Distilled Spirits 蒸馏酒水和乙醇中有机化合物亨利定律常数的 QSPR 模型

IF 3.4 4区化学

ChemPlusChem Pub Date : 2024-09-20 DOI: 10.1002/cplu.202400459

John White, Johnathan Graf, Samuel Haines, Noppadon Sathitsuksanoh, Robert Eric Berson, Vance Jaeger

{"title":"A QSPR Model for Henry’s Law Constants of Organic Compounds in Water and Ethanol for Distilled Spirits","authors":"John White, Johnathan Graf, Samuel Haines, Noppadon Sathitsuksanoh, Robert Eric Berson, Vance Jaeger","doi":"10.1002/cplu.202400459","DOIUrl":"https://doi.org/10.1002/cplu.202400459","url":null,"abstract":"Henry’s law describes the vapor-liquid equilibrium for dilute gases dissolved in a liquid solvent phase. Descriptions of vapor-liquid equilibrium allow the design of improved separations in the food and beverage industry. The consumer experience of taste and odor are greatly affected by the liquid and vapor phase behavior of organic compounds. This study presents a machine learning (ML) based model that allows quick, accurate predictions of Henry’s law constants (kH) for many common organic compounds. Users input only a Simplified Molecular-Input Line-Entry System (SMILES) string or a common English name, and the model returns Henry’s law estimates for compounds in water and ethanol. Training was performed on 5,690 compounds. Training data were gathered from an existing database and were supplemented with quantum mechanical (QM) calculations. An extra trees regression model was generated that predicts kH with a mean absolute error of 1.3 in log space and an R2 of 0.98. The model is applied to common flavor and odor compounds in bourbon whiskey as a test case for food and beverage applications.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"10 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142255837","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}

引用次数: 0

Front Cover: Photocatalytic Transformation of Organics to Valuable Chemicals – Quo Vadis? (ChemPlusChem 9/2024) 封面：光催化有机物转化为有价值的化学品--何去何从？ (ChemPlusChem 9/2024)

IF 3 4区化学

ChemPlusChem Pub Date : 2024-09-13 DOI: 10.1002/cplu.202480901

Wiktoria Adamowicz, Dr. Kasidid Yaemsunthorn, Dr. Marcin Kobielusz, Prof. Wojciech Macyk

引用次数: 0

Colloidal Bimetallic RuNi Particles and their Behaviour in Catalytic Quinoline Hydrogenation 胶体双金属 RuNi 粒子及其在催化喹啉加氢反应中的行为

IF 3.4 4区化学

ChemPlusChem Pub Date : 2024-09-13 DOI: 10.1002/cplu.202400516

Miquel Cardona-Farreny, Hiroya Ishikawa, Abolanle Olatilewa Odufejo Ogoe, Sonia Mallet-Ladeira, Yannick Coppel, Pierre Lecante, Jerome Esvan, Karine Philippot, M. Rosa Axet

{"title":"Colloidal Bimetallic RuNi Particles and their Behaviour in Catalytic Quinoline Hydrogenation","authors":"Miquel Cardona-Farreny, Hiroya Ishikawa, Abolanle Olatilewa Odufejo Ogoe, Sonia Mallet-Ladeira, Yannick Coppel, Pierre Lecante, Jerome Esvan, Karine Philippot, M. Rosa Axet","doi":"10.1002/cplu.202400516","DOIUrl":"https://doi.org/10.1002/cplu.202400516","url":null,"abstract":"Colloidal metal nanoparticles exhibit interesting catalytic properties for the hydrogenation of (hetero)arenes. Catalysts based on precious metals, such as Ru and Rh, proceed efficiently under mild reaction conditions. In contrast, heterogeneous catalysts based on earth‐abundant metals can selectively hydrogenate (hetero)arenes but require harsher reaction conditions. Bimetallic catalysts that combine precious and earth‐abundant metals are interesting materials to mitigate the drawbacks of each component. To this end, RuNi nanoparticles bearing a phosphine ligand were prepared through the decomposition of [Ru(η4‐C8H12)(η6‐C8H10)] and [Ni(η4‐C8H12)2] by H2 at 85°C. Wide angle X‐ray scattering confirmed a bimetallic segregated structure, with Ni predominantly on the surface. Spectroscopic analyses revealed that the phosphine ligand coordinated to the surface of both metals, suggesting, as well, a partial Ni shell covering the Ru core. The RuNi‐based nanomaterials were used as catalysts in the hydrogenation of quinoline to assess the impact of the metallic composition and of the stabilizing agent on their catalytic performance.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"7 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142255871","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}

引用次数: 0

Effects of Cyclic Glycopolymers Molecular Mobility on their Interactions with Lectins 环状糖聚合物分子流动性对其与凝集素相互作用的影响

IF 3 4区化学

ChemPlusChem Pub Date : 2024-09-13 DOI: 10.1002/cplu.202480902

Wenkang Jin, Dr. Masanori Nagao, Yusuke Kumon, Dr. Hikaru Matsumoto, Prof. Yu Hoshino, Prof. Yoshiko Miura

引用次数: 0

Bridge‐dependent donor‐metal‐acceptor‐metal‐donor (D‐M‐A‐M‐D) systems: from charge transfer to electron transfer in dioxolene‐Ge‐diimine complexes. 桥依赖性供体-金属-受体-金属-供体（D-M-A-M-D）系统：二氧戊烯-锗-二亚胺复合物中的电荷转移到电子转移。

IF 3.4 4区化学

ChemPlusChem Pub Date : 2024-09-13 DOI: 10.1002/cplu.202400504

Kseniya V. Arsenyeva, Anastasiya V. Klimashevskaya, Arina.V. Владимирович Maleeva, Maxim V. Arsenyev, Maxim G. Chegerev, Alyona A. Starikova, Ilya A. Yakushev, Anton V. Cherkasov, Alexandr Vladimirovich Piskunov

{"title":"Bridge‐dependent donor‐metal‐acceptor‐metal‐donor (D‐M‐A‐M‐D) systems: from charge transfer to electron transfer in dioxolene‐Ge‐diimine complexes.","authors":"Kseniya V. Arsenyeva, Anastasiya V. Klimashevskaya, Arina.V. Владимирович Maleeva, Maxim V. Arsenyev, Maxim G. Chegerev, Alyona A. Starikova, Ilya A. Yakushev, Anton V. Cherkasov, Alexandr Vladimirovich Piskunov","doi":"10.1002/cplu.202400504","DOIUrl":"https://doi.org/10.1002/cplu.202400504","url":null,"abstract":"Synthesis and structural characterization of a family of germanium‐dioxolene complexes with ditopic N‐donor ligands (L1‐L5) (L1 = 1,2‐bis(pyridin‐2‐ylmethylene)hydrazine L2 = 1,6‐bis‐(pyridin‐2‐yl)‐2,5‐diaza‐1,5‐heхаdiene, L3 = N,N‐bis(pyridin‐2‐ylmethylene)‐1,4‐benzenediamine, L4 = N,N‐bis(pyridin‐2‐ylmethylene)‐(biphenyl)‐4,4‐diamine, L5 = 2,2’‐azopyridine) is reported. The reaction of germanium bis‐catecholate with bridging ligands L1 – L4, differing by the nature of the linker between pyridine sites gives rise to dinuclear digermanium complexes (36Cat2Ge)2L1‐4 (36Cat = dianion of 3,6‐di‐tert‐butylcatechol) 1‐4 of DMAMD type (donor‐metal‐acceptor‐metal‐donor) with a charge transfer in the UV‐Vis region. In opposite, the interaction of the 36Cat2Ge with 2,2’‐azopyridine (L5) results in the two‐electron transfer from the donor 36Cat2‐ ligands to the azopyridine bridge forming stable open‐shell complex 5 [(36SQ)(36CatGe)]2(L5)2‐ (36SQ = radical‐anionic semiquinonate ligand). Molecular structures of compounds 3 and 5 were determined by single crystal X‐ray diffraction analysis. Electronic structures of complexes 1‐5 were studied by means of DFT calculations.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"27 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142255840","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}

引用次数: 0

Palladium‐catalyzed C(sp3)‐H activation in a monoterpene‐based compound under mild conditions: a combined experimental and theoretical mechanistic study 温和条件下钯催化单萜化合物中的 C(sp3)-H 活化：实验与理论相结合的机理研究

IF 3.4 4区化学

ChemPlusChem Pub Date : 2024-09-13 DOI: 10.1002/cplu.202400509

Tatiana E. Kokina, Nikita A. Shekhovtsov, Alexey V. Tkachev, Alexander M. Agafontsev, Christophe Gourlaouen, Mark B. Bushuev

{"title":"Palladium‐catalyzed C(sp3)‐H activation in a monoterpene‐based compound under mild conditions: a combined experimental and theoretical mechanistic study","authors":"Tatiana E. Kokina, Nikita A. Shekhovtsov, Alexey V. Tkachev, Alexander M. Agafontsev, Christophe Gourlaouen, Mark B. Bushuev","doi":"10.1002/cplu.202400509","DOIUrl":"https://doi.org/10.1002/cplu.202400509","url":null,"abstract":"The first example of the palladium‐catalyzed sp3 C‐H bond activation in a monoterpene‐based compound has been observed in the reaction of PdCl2 with a (+)‐3‐carene‐based ligand HL (HL = N‐((1aS,3S,7bR)‐1,1,3‐trimethyl‐7‐phenyl‐5‐(pyridin‐2‐yl)‐1a,2,3,7b‐tetrahydro‐1H‐cyclopropa[f]quinolin‐3‐yl)acetamide), which yielded the [PdLCl] complex. In contrast to the vast majority of C(sp3)‐H activation reactions which require prolonged heating and mixing due to the inert character of the corresponding bond, the reaction reported herein proceeds rapidly under mild conditions. A theoretical insight into the ligand deprotonation has been performed by DFT calculations. The mechanism of the C‐H activation involves (i) simultaneous coordination of the CH3 group of HL to the Pd2+ ion and decoordination of the Cl‐ anion with consequent formation of a Cl⋅⋅⋅H‐N hydrogen bond with the amide group, (ii) approximation of the out‐of‐sphere Cl‐ anion to one of the hydrogen atoms of the CH3 group mediated by the crane motion of the amide group and (iii) the ejection of the HCl molecule, which increases the entropy of the system and serves as a driving force for the reaction.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"117 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142255839","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}

引用次数: 0

In‐Situ and Green Synthesis of Silk Fibroin‐Silver Nanoparticles Composite Microfibers for Enhanced Antibacterial Applications 原位绿色合成蚕丝纤维素-银纳米颗粒复合微纤维以增强抗菌应用

IF 3.4 4区化学

ChemPlusChem Pub Date : 2024-09-12 DOI: 10.1002/cplu.202400478

Rui Zhang, Dandan Luo, Mohammad Jaber, Han ZHANG, Xiangdong Kong

{"title":"In‐Situ and Green Synthesis of Silk Fibroin‐Silver Nanoparticles Composite Microfibers for Enhanced Antibacterial Applications","authors":"Rui Zhang, Dandan Luo, Mohammad Jaber, Han ZHANG, Xiangdong Kong","doi":"10.1002/cplu.202400478","DOIUrl":"https://doi.org/10.1002/cplu.202400478","url":null,"abstract":"The antibacterial properties of modified silk fibroin microfibers (SF MFs) have been widely studied. Among various modifications, integration of silver nanoparticles (Ag NPs) and SF MFs has garnered significant attention due to the broad‐spectrum antibacterial activities and long‐term antibacterial effect of Ag nanomaterials. However, the traditional introduction of reducing agents or other additives during the synthesis of Ag‐SF composite MFs potentially affects their structure and antibacterial properties. Facile, green and effective methods for the preparation of Ag‐SF MFs with enhanced antibacterial properties are therefore highly desired. In this study, Ag NPs were uniformly in‐situ deposited onto the optimized SF MFs by adjusting the pH and duration conditions under the guidance of green chemistry. The loaded Ag NPs have a good dispersibility and an average size of ~10 nm. The stability of SF MFs after the deposition of Ag NPs and the crystalline features of the loaded Ag NPs have been carefully investigated. Moreover, antibacterial experiments confirmed that Ag‐SF MFs exhibited superior antibacterial activities. After co‐incubating Ag‐SF MFs with L929 cells, the cell viability reached 90%, demonstrating the great biocompatibility of the modified fibers. This green in‐situ synthetic method will promote the further medical use of Ag‐SF MFs in antibacterial fields.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"27 1","pages":"e202400478"},"PeriodicalIF":3.4,"publicationDate":"2024-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142207308","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}

引用次数: 0

Phosphonate‐substituted Pyrazinoporphyrin – a General Photocatalyst for Efficient Sulfoxidation 膦酸盐取代的吡嗪卟啉--一种用于高效硫氧化的通用光催化剂

IF 3.4 4区化学

ChemPlusChem Pub Date : 2024-09-11 DOI: 10.1002/cplu.202400469

Kirill P. Birin, Daria A. Polivanovskaia, Inna A. Abdulaeva, Yulia G. Gorbunova, Aslan Yu. Tsivadze

{"title":"Phosphonate‐substituted Pyrazinoporphyrin – a General Photocatalyst for Efficient Sulfoxidation","authors":"Kirill P. Birin, Daria A. Polivanovskaia, Inna A. Abdulaeva, Yulia G. Gorbunova, Aslan Yu. Tsivadze","doi":"10.1002/cplu.202400469","DOIUrl":"https://doi.org/10.1002/cplu.202400469","url":null,"abstract":"An exceptional efficiency of pyrazine‐annelated porphyrin as a general photocatalyst for the oxidation of organic sulfides is demonstrated. It is shown that phosphonate‐substituted pyrazinoporphyrin 2H‐1 brings together sufficient photostability and high efficiency in the aerobic photooxidation of a series of various sulfides. The influence of the reaction conditions onto the efficiency of homogeneous sulfide photooxidation in the presence of the PS was investigated and strong dependence on the solvent system was observed. The use of methanol is required for the photocatalytic sulfoxidation and the ratio of the alcohol/other solvent can significantly affect the conversion and selectivity of the reaction. The application of the prepared photosensitizer (PS) in 0.001 mol% loading allowed achieving complete conversion (97‐100%, turnover number up to 100000, turnover frequency up to 6250 h‐1) of substrates bearing substituents of different nature, namely aromatic and aliphatic sulfides with donor or acceptor substituents and substituents prone to oxidation, as well as cyclic sulfides. The selectivity of the of the corresponding sulfoxides formation of 96‐100% was revealed. Finally, a gram‐scale synthesis of several sulfoxides was successfully performed with the PS under investigation, providing desired products in 66‐96% yield with over 98% purity.","PeriodicalId":148,"journal":{"name":"ChemPlusChem","volume":"22 1","pages":""},"PeriodicalIF":3.4,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142207306","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}

引用次数: 0