ChemistryOpen最新文献

筛选
英文 中文
Oxidation of Cyclohexane to Cyclohexanol/Cyclohexanone Using Sol-Gel-Encapsulated Unspecific Peroxygenase from Agrocybe aegerita 使用溶胶-凝胶封装的 Agrocybe aegerita 非特异性过氧化氢酶将环己烷氧化为环己醇/环己酮。
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2024-08-30 DOI: 10.1002/open.202400152
Yinqi Wu, Frank Hollmann, Musa M. Musa
{"title":"Oxidation of Cyclohexane to Cyclohexanol/Cyclohexanone Using Sol-Gel-Encapsulated Unspecific Peroxygenase from Agrocybe aegerita","authors":"Yinqi Wu,&nbsp;Frank Hollmann,&nbsp;Musa M. Musa","doi":"10.1002/open.202400152","DOIUrl":"10.1002/open.202400152","url":null,"abstract":"<p>Unspecific peroxygenase from <i>Agrocybe aegerite</i> (<i>Aae</i>UPO) is a remarkable catalyst for the oxyfunctionalization of non-activated C−H bonds under mild conditions. It exhibits comparable activity to P450 monooxygenase but offers the advantage of using H<sub>2</sub>O<sub>2</sub> instead of a complex electron transport chain to reductively activate O<sub>2</sub>. Here, we demonstrate the successful oxidation of cyclohexane to cyclohexanol/cyclohexanone (KA-oil) using sol-gel encapsulated <i>Aae</i>UPO. Remarkably, cyclohexane serves both as a solvent and a substrate in this system, which simplifies product isolation. The ratio of cyclohexanone to cyclohexanol using this approach is remarkably higher compared to the oxidation using free <i>Aae</i>UPO in aqueous media using acetonitrile as a cosolvent. The utilization of sol-gel encapsulated <i>Aae</i>UPO offers a promising approach for oxyfunctionalization reactions and improves the chances for this enzyme to be incorporated in the same pot with other chemical transformations.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"13 10","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11457760/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142104792","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
Utilization of Cobalt and its Oxide/Hydroxide Mediated by Ionic Liquids/Deep Eutectic Solvents as Catalysts in Water Splitting 利用离子液体/深共晶溶剂介导的钴及其氧化物/氢氧化物作为水分离催化剂。
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2024-08-30 DOI: 10.1002/open.202400136
Chenyun Zhang, Jie Wang, Jianjiao Jin, Jiahao Wang, Te Bai, Jiacheng Xu, Shun Wang, Prof. Lihua Xu, Assoc. Prof. Jing Zhang
{"title":"Utilization of Cobalt and its Oxide/Hydroxide Mediated by Ionic Liquids/Deep Eutectic Solvents as Catalysts in Water Splitting","authors":"Chenyun Zhang,&nbsp;Jie Wang,&nbsp;Jianjiao Jin,&nbsp;Jiahao Wang,&nbsp;Te Bai,&nbsp;Jiacheng Xu,&nbsp;Shun Wang,&nbsp;Prof. Lihua Xu,&nbsp;Assoc. Prof. Jing Zhang","doi":"10.1002/open.202400136","DOIUrl":"10.1002/open.202400136","url":null,"abstract":"<p>With the ever-growing global demand for sustainable energy solutions, hydrogen has garnered significant attention as a clean, efficient, and renewable energy source. In the field of hydrogen production, catalyst research stands out as one of the foremost areas of focus. In recent years, the preparation of electrocatalysts using ionic liquids (ILs) and deep eutectic solvents (DESs) has attracted widespread attention. ILs and DESs possess unique physicochemical properties and are recognized as green media as well as functional materials. Cobalt-based catalysts have proven to be efficient electrocatalysts for water splitting. Incorporating ILs or DESs into the preparation of cobalt-based catalysts offers a remarkable advantage by allowing precise control over their structural design and composition. This control directly influences the adsorption properties of the catalyst's surface and the stability of reaction intermediates, thereby enabling enhanced control over reaction pathways and product selectivity. Consequently, the catalytic activity and stability of cobalt-based catalysts can be effectively improved. In the process of preparing cobalt-based catalysts, ILs and DESs can serve as solvents and templates. Owing to the good solubility of ILs and DESs, they can efficiently dissolve raw materials and provide a special nucleation and growth environment, obtaining catalysts with novel-structures. The main focus of this review is to provide a detailed introduction to metal cobalt and its oxide/hydroxide derivatives in the field of water splitting, with a particular emphasis on the research progress achieved through the utilization of IL and DES. The aim is to assist readers in designing and synthesizing novel and high-performance electrochemical catalysts.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"13 11","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11564867/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142104793","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
Interplay of Na Substitution in Magnetic Interaction and Photocatalytic Properties of Ca1-xNaxTi0.5Ta0.5O3 Perovskite Nanoparticles Na 取代在 Ca1-xNaxTi0.5Ta0.5O3 珍珠岩纳米粒子的磁性相互作用和光催化特性中的相互作用
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2024-08-30 DOI: 10.1002/open.202400021
S. S. Kammar, V. K. Barote, A. A. Gaikwad, Sagar E. Shirsath, A. A. Ibrahim, K. M. Batoo, R. H. Kadam, S. S. More
{"title":"Interplay of Na Substitution in Magnetic Interaction and Photocatalytic Properties of Ca1-xNaxTi0.5Ta0.5O3 Perovskite Nanoparticles","authors":"S. S. Kammar,&nbsp;V. K. Barote,&nbsp;A. A. Gaikwad,&nbsp;Sagar E. Shirsath,&nbsp;A. A. Ibrahim,&nbsp;K. M. Batoo,&nbsp;R. H. Kadam,&nbsp;S. S. More","doi":"10.1002/open.202400021","DOIUrl":"10.1002/open.202400021","url":null,"abstract":"<p>This research paper delves into the enhancement of wastewater treatment through the design and synthesis of advanced photocatalytic materials, focusing on the effects of sodium (Na) substitution in Ca<sub>1-x</sub>Na<sub>x</sub>Ta<sub>0.5</sub>Ti<sub>0.5</sub>O<sub>3</sub> perovskites. By employing various analytical techniques such as X-ray diffraction, Field Emission Scanning Electron Microscopy, Transmission Electron Microscopy and UV-vis spectroscopy, the study examines the transition of these perovskites from tetragonal to orthorhombic structures and observes a reduction in Ca content with Na substitution, which also favors the cubic phase formation and inhibits secondary phases. Significantly, magnetic property analysis uncovers an unexpected ferromagnetic ordering in these perovskites, including compositions traditionally viewed as non-magnetic. The photocatalytic tests reveal a significant improvement in degrading Rhodamine B dye under visible light, particularly in samples with higher Na levels, attributed to enhanced light absorption and efficient electron processes. The study highlights the optimal Na substitution level for peak photocatalytic performance, offering valuable insights into the complex interplay between structural, magnetic, and photocatalytic properties of these perovskites, and their potential in various applications, thereby contributing to the advancement of wastewater treatment technologies.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"13 10","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-08-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11457761/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142104791","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
Precursor-Derived Sensing Interdigitated Electrode Microstructures Based on Platinum and Nano Porous Carbon 基于铂和纳米多孔碳的前驱体衍生传感交错电极微结构。
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2024-08-19 DOI: 10.1002/open.202400179
Lukas Mielewczyk, Dr. Lydia Galle, Nick Niese, Dr. Julia Grothe, Prof. Dr. Stefan Kaskel
{"title":"Precursor-Derived Sensing Interdigitated Electrode Microstructures Based on Platinum and Nano Porous Carbon","authors":"Lukas Mielewczyk,&nbsp;Dr. Lydia Galle,&nbsp;Nick Niese,&nbsp;Dr. Julia Grothe,&nbsp;Prof. Dr. Stefan Kaskel","doi":"10.1002/open.202400179","DOIUrl":"10.1002/open.202400179","url":null,"abstract":"<p>Interdigital electrodes were prepared using nanoimprint lithography and piezoelectric inkjet printing. These processes are simpler and more cost-effective than the industrially used electron beam lithography because of their purely mechanical process step. For the investigation of material dependence, platinum as well as carbon electrodes were fabricated. Afterwards electrodes with various line widths and spacings were tested for the application as a chemiresistive sensor for ferrocenyl-methanol and the influence of the gap-width and conductor cross-section on the sensitivity was investigated. The general suitability of the systems for the production of such structures could be confirmed. Structures with a limit of detection (LOD) down to 1.2 μM and 35.9 μM could be produced for carbon and platinum, respectively, as well as a response time of 3.6 s was achieved.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"13 11","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11564864/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141999455","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
Front Cover: Product Distribution of Steady–State and Pulsed Electrochemical Regeneration of 1,4-NADH and Integration with Enzymatic Reaction (ChemistryOpen 8/2024) 封面:1,4-NADH的稳态和脉冲电化学再生产物分布及与酶促反应的整合(ChemistryOpen 8/2024)
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2024-08-12 DOI: 10.1002/open.202480801
Mohammed Ali Saif Al-Shaibani, Thaleia Sakoleva, Dr. Luka A. Živković, Dr. Harry P. Austin, Dr. Mark Dörr, Dr. Liane Hilfert, Prof. Edgar Haak, Prof. Uwe T. Bornscheuer, Dr. Tanja Vidaković-Koch
{"title":"Front Cover: Product Distribution of Steady–State and Pulsed Electrochemical Regeneration of 1,4-NADH and Integration with Enzymatic Reaction (ChemistryOpen 8/2024)","authors":"Mohammed Ali Saif Al-Shaibani,&nbsp;Thaleia Sakoleva,&nbsp;Dr. Luka A. Živković,&nbsp;Dr. Harry P. Austin,&nbsp;Dr. Mark Dörr,&nbsp;Dr. Liane Hilfert,&nbsp;Prof. Edgar Haak,&nbsp;Prof. Uwe T. Bornscheuer,&nbsp;Dr. Tanja Vidaković-Koch","doi":"10.1002/open.202480801","DOIUrl":"https://doi.org/10.1002/open.202480801","url":null,"abstract":"<p><b>The front cover illustrates</b> the direct electrochemical regeneration of 1,4-NADH under varying operating conditions—steady-state and dynamic—at a porous carbon-based electrode′s surface. Dynamic operation accelerates 1,4-NADH regeneration, demonstrating potential for integration with an enzymatic reaction that converts cyclohexenone to cyclohexanone using an enoate reductase. More details can be found in the Research Article by Tanja Vidaković-Koch and co-workers (DOI: 10.1002/open.202400064).<figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"13 8","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-08-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.202480801","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141973626","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
Eco-friendly Regioselective Synthesis, Biological Evaluation of Some New 5-acylfunctionalized 2-(1H-pyrazol-1-yl)thiazoles as Potential Antimicrobial and Anthelmintic Agents 一些新的 5-酰基官能化 2-(1H-吡唑-1-基)噻唑作为潜在抗菌剂和驱虫药的生态友好型区域选择性合成和生物学评价。
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2024-08-08 DOI: 10.1002/open.202400142
Ranjana Aggarwal, Manisha Sharma, Mona Hooda, Prabodh C. Sharma, Diksha Sharma
{"title":"Eco-friendly Regioselective Synthesis, Biological Evaluation of Some New 5-acylfunctionalized 2-(1H-pyrazol-1-yl)thiazoles as Potential Antimicrobial and Anthelmintic Agents","authors":"Ranjana Aggarwal,&nbsp;Manisha Sharma,&nbsp;Mona Hooda,&nbsp;Prabodh C. Sharma,&nbsp;Diksha Sharma","doi":"10.1002/open.202400142","DOIUrl":"10.1002/open.202400142","url":null,"abstract":"<p>The present study describes an eco-friendly NBS-assisted regioselective synthesis of new 5-acylfunctionalized 5-acylfunctionalized 2-(<i>1H</i>-pyrazol-1-yl)thiazoles by condensation of 3,5-dimethyl-1<i>H</i>-pyrazole-1-carbothioamide with unsymmetrical 1,3-diketones under solvent-free conditions. The structural elucidation of the newly synthesized compounds was accomplished using various spectroscopic techniques viz. FTIR, NMR and mass spectrometry. All the newly synthesized compounds were examined for their <i>in vitro</i> antimicrobial potential against both pathogenic gram positive and gram negative bacterial and fungal species as well as anthelmintic activity against <i>Pheretima posthuma</i> earthworms. The results of antimicrobial activity revealed that all tested compounds <b>3 a–j</b> showed excellent antimicrobial potential particularly against <i>S. aureus</i>. It was also observed that compounds <b>3 e</b> and <b>3 i</b> (MIC=62.5 μg/mL<b>)</b> showed greater potency against <i>E. coli</i>, whereas compounds <b>3 a</b> and <b>3 h (</b>MIC=50 μg/mL and 62.5 μg/mL) demonstrated better activity against <i>P. aeruginosa</i> and compound <b>3 i</b> (MIC=62.5 μg/mL) exhibited superior activity against <i>S. pyogenus</i> when compared to standard drug Ampicillin (MIC=100μg/mL). Compound <b>3 e</b> and <b>3 j</b> revealed remarkable antifungal and anthelmintic activities. To find out binding interactions of target compounds with target proteins and pharmacokinetic parameters of the compounds, <i>in silico</i> investigations involving molecular docking studies and ADMET predictions were also performed.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"13 11","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11564866/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141901086","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
SARS-CoV-2 PLpro Inhibition: Evaluating in Silico Repurposed Fidaxomicin's Antiviral Activity Through In Vitro Assessment SARS-CoV-2 PLpro 抑制:通过体外评估评估硅学中重新设计的非达霉素的抗病毒活性
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2024-08-05 DOI: 10.1002/open.202400091
B.Sc. Sara Protić, M.Sc. Milica Crnoglavac Popović, M.Sc. Nevena Kaličanin, Dr. Olivera Prodanović, Dr. Milan Senćanski, Dr. Jelena Milićević, Dr. Kristina Stevanović, Dr. Vladimir Perović, Dr. Slobodan Paessler, Dr. Radivoje Prodanović, Dr. Sanja Glišić
{"title":"SARS-CoV-2 PLpro Inhibition: Evaluating in Silico Repurposed Fidaxomicin's Antiviral Activity Through In Vitro Assessment","authors":"B.Sc. Sara Protić,&nbsp;M.Sc. Milica Crnoglavac Popović,&nbsp;M.Sc. Nevena Kaličanin,&nbsp;Dr. Olivera Prodanović,&nbsp;Dr. Milan Senćanski,&nbsp;Dr. Jelena Milićević,&nbsp;Dr. Kristina Stevanović,&nbsp;Dr. Vladimir Perović,&nbsp;Dr. Slobodan Paessler,&nbsp;Dr. Radivoje Prodanović,&nbsp;Dr. Sanja Glišić","doi":"10.1002/open.202400091","DOIUrl":"10.1002/open.202400091","url":null,"abstract":"<p>The emergence of drug-resistant viruses and novel strains necessitates the rapid development of novel antiviral therapies. This need was particularly demanding during the COVID-19 pandemic. While de novo drug development is a time-consuming process, repurposing existing approved medications offers a more expedient approach. In our prior in silico screening of the DrugBank database, fidaxomicin emerged as a potential SARS-CoV-2 papain-like protease inhibitor. This study extends those findings by investigating fidaxomicin‘s antiviral properties in vitro. Our results support further exploration of fidaxomicin as a therapeutic candidate against SARS-CoV-2, given its promising in vitro antiviral activity and favorable safety profile.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"13 11","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-08-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11564859/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141888597","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
A Comparative Study on Characteristics and Antibacterial Capacity of Cotton Fabrics Dyed with Reactive Dye and Diospyros Mollis Extract 用活性染料和洋金花提取物染色的棉织物的特性和抗菌能力比较研究
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2024-07-31 DOI: 10.1002/open.202400130
Trong Tuan Nguyen, Thuy Chinh Nguyen, Thi Thu Trang Nguyen, Manh Ha Nguyen, Hoang Thai
{"title":"A Comparative Study on Characteristics and Antibacterial Capacity of Cotton Fabrics Dyed with Reactive Dye and Diospyros Mollis Extract","authors":"Trong Tuan Nguyen,&nbsp;Thuy Chinh Nguyen,&nbsp;Thi Thu Trang Nguyen,&nbsp;Manh Ha Nguyen,&nbsp;Hoang Thai","doi":"10.1002/open.202400130","DOIUrl":"10.1002/open.202400130","url":null,"abstract":"<p>This article focuses on comparing the characteristics of cotton fabric dyed with <i>Diospyros mollis</i> extract (DME) solution and that of cotton fabric dyed with the reactive dye. The parameters of the cotton fabric after dyeing with both types of dyes were assessed, including color strength (K/S), structural morphology, infrared spectrum, antibacterial properties, UV resistance, color fastness to washing, rubbing, light, moisture absorption, breathability, and wastewater indices. The obtained results show that the K/S value of cotton fabric dyed with DME solution is slightly lower than that of cotton fabric dyed with the reactive dye, 18.52 and 19.36, respectively. The cotton fabric dyed with the reactive dye does not exhibit antibacterial activity against <i>Escherichia coli</i> and <i>Staphylococcus aureus</i>, whereas the antibacterial effectiveness against these bacteria for cotton fabric dyed with DME solution is 99.99 %. The UV protection capability of cotton fabric dyed with DME solution is superior to cotton fabric dyed with the reactive dye. The BOD/COD ratio of wastewater from the dyeing process with DME is higher than that of the reactive dye, with values of 0.70 and 0.32, respectively. The findings of this study indicate the superior ability of using DME solution as compared to the reactive dye, which is promising as a natural dye for fabric in medical applications.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"13 11","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11564863/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141859186","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 Investigation into the Influence of Graphene Content on Achieving a High-Performance TiO2-Graphene Nanocomposite Supercapacitor 研究石墨烯含量对实现高性能二氧化钛-石墨烯纳米复合材料超级电容器的影响
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2024-07-31 DOI: 10.1002/open.202400128
Negar Naghavi, Dr. Maisam Jalaly, Samira Mohammadi, Dr. S. Morteza Mousavi-Khoshdel
{"title":"An Investigation into the Influence of Graphene Content on Achieving a High-Performance TiO2-Graphene Nanocomposite Supercapacitor","authors":"Negar Naghavi,&nbsp;Dr. Maisam Jalaly,&nbsp;Samira Mohammadi,&nbsp;Dr. S. Morteza Mousavi-Khoshdel","doi":"10.1002/open.202400128","DOIUrl":"10.1002/open.202400128","url":null,"abstract":"<p>This study presents the synthesis of TiO<sub>2</sub>-graphene nanocomposites with varying mass ratios of graphene (2.5, 5, 10, 20 wt. %) using a facile and cost-effective hydrothermal approach. By integrating TiO<sub>2</sub> nanoparticles with graphene, a nanomaterial characterized by a two-dimensional structure, unique electrical conductivity and high specific surface area, the resulting hybrid material shows promise for application in supercapacitors. The nanocomposite specimens were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, Raman microscopy, field-emission scanning electron microscopy (FESEM), and transmission electron microscopy (TEM). Additionally, supercapacitive properties were investigated using a three-electrode setup by cyclic voltammetry (CV), galvanostatic charge-discharge (GCD) and electrochemical impedance spectroscopy (EIS) tests. Notably, the TiO<sub>2</sub>-20 wt. % rGO nanocomposite exhibited the highest specific capacitance of 624 F/g at 2 A/g, showcasing superior electrochemical performance. This specimen indicated a high rate capability and cyclic stability (93 % retention after 2000 cycles). Its remarkable energy density and power density of this sample designate it as a strong contender for practical supercapacitor applications.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"13 11","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11564865/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141859188","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
A Polarizable Forcefields for Glyoxal Acetals as Electrolyte Components for Lithium-Ion Batteries 乙醛作为锂离子电池电解质成分的可极化力场。
IF 2.5 4区 化学
ChemistryOpen Pub Date : 2024-07-31 DOI: 10.1002/open.202400134
Dr. Adriano Pierini, Ms. Vanessa Piacentini, Dr. Juan Luis Gómez-Urbano, Prof. Andrea Balducci, Prof. Sergio Brutti, Prof. Enrico Bodo
{"title":"A Polarizable Forcefields for Glyoxal Acetals as Electrolyte Components for Lithium-Ion Batteries","authors":"Dr. Adriano Pierini,&nbsp;Ms. Vanessa Piacentini,&nbsp;Dr. Juan Luis Gómez-Urbano,&nbsp;Prof. Andrea Balducci,&nbsp;Prof. Sergio Brutti,&nbsp;Prof. Enrico Bodo","doi":"10.1002/open.202400134","DOIUrl":"10.1002/open.202400134","url":null,"abstract":"<p>In this work we have derived the parameters of an AMOEBA-like polarizable forcefield for electrolytes based on tetramethoxy and tetraethoxy-glyoxal acetals, and propylene carbonate. The resulting forcefield has been validated using both ab-initio data and the experimental properties of the fluids. Using molecular dynamics simulations, we have investigated the structural features and the solvation properties of both the neat liquids and of the corresponding 1 M LiTFSI electrolytes at the molecular level. We present a detailed analysis of the Li ion solvation shells, of their structure and highlight the different behavior of the solvents in terms of their molecular structure and coordinating features.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"13 11","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11564869/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141859187","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
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信