Chemistry - An Asian Journal最新文献_第9页

End Group Effects on Anion Binding in Tetraglycine Peptide: A Computational Study. 端基对四甘氨酸肽阴离子结合的影响：计算研究

IF 3.5 3区化学

Chemistry - An Asian Journal Pub Date : 2024-10-06 DOI: 10.1002/asia.202400880

Monalisha Sarma, Manash Pratim Sarmah, Manabendra Sarma

{"title":"End Group Effects on Anion Binding in Tetraglycine Peptide: A Computational Study.","authors":"Monalisha Sarma, Manash Pratim Sarmah, Manabendra Sarma","doi":"10.1002/asia.202400880","DOIUrl":"https://doi.org/10.1002/asia.202400880","url":null,"abstract":"The importance of anions in various processes has led to a search for molecules that can effectively recognize and interact with these anions. This study explores how the tetraglycine (Gly)4 peptide in its zwitterionic, neutral, and terminally capped forms acts as a receptor for H2PO4- and HSO4- anions within the framework of supramolecular host-guest chemistry. Using molecular dynamics (MD) simulations, we obtained the conformations of the receptor-anion complexes. Density functional theory (DFT), quantifies the complexes' interaction energies in both gas and solvent phases. Proton transfer within the zwitterionic complex with H2PO4- anion alters peptide charge distribution, affecting its conformation and binding site arrangement, as analysed by quantum mechanics/molecular mechanics (QM/MM) methods. Symmetry-adapted perturbation theory (SAPT) and noncovalent interactions analysis highlight the role of electrostatic interactions in these receptor-anion complexes. It emphasizes the key interactions such as N-H···O and O-H···O=C between the peptide backbone and anions and elucidates the molecular recognition mechanism driven by crucial noncovalent interactions. The termination of the peptide's end groups modulates anion binding sites from the backbone to the charged N-terminal, resulting in distinct binding sites. Our findings provide insights for designing peptides tailored to function as anion receptors in diverse supramolecular chemistry applications.","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":null,"pages":null},"PeriodicalIF":3.5,"publicationDate":"2024-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142379654","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Well Defined Phosphine Free Ni-Catalyzed Dehydrogenation of Secondary Alcohols for the Synthesis of Ketones and Ketazines. 定义明确的无膦镍催化仲醇脱氢反应，用于合成酮和酮嗪。

IF 3.5 3区化学

Chemistry - An Asian Journal Pub Date : 2024-10-04 DOI: 10.1002/asia.202400818

Kaushik Ghosh, Ankur Maji, Ovender Singh, Keshav Sharma, Sheela Kumari

引用次数: 0

Cascade Synthesis in Water: Michael Addition/Hemiketalization/Retro-Claisen Fragmentation Catalyzed by CatAnionic Vesicular Nanoreactor from Dithiocarbamate. 水中级联合成：由 CatAnionic Vesicular Nanoreactor 催化的二硫代氨基甲酸酯的迈克尔加成/半金属化/反克莱森碎片。

IF 3.5 3区化学

Chemistry - An Asian Journal Pub Date : 2024-10-04 DOI: 10.1002/asia.202400853

Ayodele J Atibioke, Panassilp Authai, Tirayut Vilaivan, Panuwat Padungros

{"title":"Cascade Synthesis in Water: Michael Addition/Hemiketalization/Retro-Claisen Fragmentation Catalyzed by CatAnionic Vesicular Nanoreactor from Dithiocarbamate.","authors":"Ayodele J Atibioke, Panassilp Authai, Tirayut Vilaivan, Panuwat Padungros","doi":"10.1002/asia.202400853","DOIUrl":"https://doi.org/10.1002/asia.202400853","url":null,"abstract":"N,N-didodecylammonium N,N-didodecyldithiocarbamate (AmDTC-C12C12) underwent self-assembly to form a CatAnionic vesicular nanoreactor in water. AmDTC-C12C12 can be readily prepared by condensation between N,N-didodecylamine and carbon disulfide. Previously, the cascade Michael addition/hemiketalization/retro-Claisen fragmentation was reported, but it required petroleum-based organic solvents as reaction media. Herein, the application of AmDTC-C12C12 in aqueous cascade synthesis is investigated. Initially, we explored the catalytic activity of AmDTC-C12C12 (10 mol%) in the synthesis of 4H-chromene through a double-cascade Michael addition/hemiketalization. The reaction occurred in water at room temperature using 2-hydroxy-trans-b-nitrostyrene as Michael acceptor and acetylacetone as Michael donor yielding 2-chromanol intermediates. Subsequent acidic dehydration of 2-chromanols produced 4H-chromenes with moderate yields (34-60%) and phenyl acetates of g-nitro ketone as co-products (13-27%), deriving from retro-Claisen fragmentation. Surprisingly, using Michael donors with aromatic moieties on the 1,3-dicarbonyls resulted in spontaneous triple-cascade Michael addition/hemiketalization/retro-Claisen fragmentation in water, without the need for acidic dehydration. The g-nitro ketones were obtained as sole products, with no detection of 4H-chromenes, in moderate to high yields (31-84%) for symmetrical 1,3-dicarbonyl containing two aromatic groups. Unsymmetrical 1,3-dicarbonyl bearing aromatic/aliphatic or aromatic/aromatic groups afforded g-nitro ketones in favorable yields (73-97%).","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":null,"pages":null},"PeriodicalIF":3.5,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142370371","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

ZnO with Different Morphologies Sensitized by Metalloporphyrins as Catalysts for H₂ Production by Water Splitting Under Sunlight. 金属卟啉敏化的不同形态的氧化锌作为催化剂在阳光下通过水分离产生 H2。

IF 3.5 3区化学

Chemistry - An Asian Journal Pub Date : 2024-10-04 DOI: 10.1002/asia.202401011

João F Stival, Camila N Cechin, Bernardo A Iglesias, Ernesto S Lang, Júlio S Rebouças, Shirley Nakagaki

{"title":"ZnO with Different Morphologies Sensitized by Metalloporphyrins as Catalysts for H2 Production by Water Splitting Under Sunlight.","authors":"João F Stival, Camila N Cechin, Bernardo A Iglesias, Ernesto S Lang, Júlio S Rebouças, Shirley Nakagaki","doi":"10.1002/asia.202401011","DOIUrl":"10.1002/asia.202401011","url":null,"abstract":"In this work, zinc oxide with different morphologies and textural properties were prepared and sensitized with metalloporphyrins (MPs) aiming to improve its solar energy harvesting capability for H2 production by water splitting under sunlight (a 300 W Xe/Hg lamp). An anionic iron(III)porphyrin and a cationic manganese(III)porphyrin were immobilized on different ZnO solids predominantly by electrostatic interactions. In general, the prepared MP-free ZnO solid yielded modest catalytic results which had apparently no direct correlation with their textural properties or morphology. On the other hand, when these ZnO solids had iron or manganese porphyrin sensitizing them, their catalytic performances changed and a superior yield towards H2 production was observed in comparison to the pure ZnO solids, making evident the synergy achieved between these two components (ZnO and metalloporphyrins) for the prepared solids. It was also observed that the metalloporphyrins and the respective free-base ligand suffered redox reactions when used as homogenous catalyst in this reaction, which could influence their performances as catalysts. The same was not observed in the solids containing immobilized MP, suggesting some protective effect of the ZnO solids on the MP complexes upon immobilization probably due to interaction of the complexes with the ZnO matrix.","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":null,"pages":null},"PeriodicalIF":3.5,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142370373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

π-Conjugated Porous Polymer Nanosheets for Explosive Sensing: Investigation on the Role of H-Bonding. 用于爆炸传感的π共轭多孔聚合物纳米片：关于 H 键作用的研究。

IF 3.5 3区化学

Chemistry - An Asian Journal Pub Date : 2024-10-02 DOI: 10.1002/asia.202400939

Saurabh Kumar Rajput, Atul Kapoor, Abhishek Yogi, Venkateswarlu Yarlagadda, Venkata Suresh Mothika

{"title":"π-Conjugated Porous Polymer Nanosheets for Explosive Sensing: Investigation on the Role of H-Bonding.","authors":"Saurabh Kumar Rajput, Atul Kapoor, Abhishek Yogi, Venkateswarlu Yarlagadda, Venkata Suresh Mothika","doi":"10.1002/asia.202400939","DOIUrl":"10.1002/asia.202400939","url":null,"abstract":"Nitroaromatic explosive sensing plays a critical role in ensuring public security and environmental protection. Herein, we report 2-pyridyl-thiazolothiazole (pyTTz) integrated blue-fluorescent π-conjugated porous polymer nanosheets, NTzCMP and TzCMP for selective sensing of picric acid (PA) among nitrophenol explosives. Acid-base interactions between PA and pyTTz of CMP lead to H-bonding interactions, where the hydroxy group of PA engaged in weak H-bonding interactions with pyridine and TTz of pyTTz moiety. This led to a strong fluorescence quenching of CMPs-such formation of ground state complex was supported by linear Stern-Volmer quenching plots, unaltered excited state lifetimes, and detailed FTIR analysis of PA exposed CMPs. Interestingly, both CMPs exhibited an excellent response to smaller analytes such as o-nitrotoluene compared to 2,4-dinitrotoluene. Both NTzCMP and TzCMP CMPs exhibited high KSV values of 9×103 and 2.1×103 M-1 for PA and the corresponding limit of detection values were found to be 0.46 and 1.6 ppm, respectively.","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":null,"pages":null},"PeriodicalIF":3.5,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142360836","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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 Doubly meso-α Linked N-Confused Porphyrin Tape Silver(III) Complex Comprising an Antiaromatic Pyrrolo[2,3-f]indole Segment. 包含抗芳香族吡咯并[2,3-f]吲哚段的双介导α连接 N-共轭卟啉带银(III)络合物。

IF 3.5 3区化学

Chemistry - An Asian Journal Pub Date : 2024-10-02 DOI: 10.1002/asia.202401144

Akito Nakai, Osamu Iwanaga, Takayuki Tanaka, Atsuhiro Osuka

引用次数: 0

Rapid Detection of Explicit Volatile Organic Compounds for Early Diagnosis of Lung Cancer Using MoSi2N4 Monolayer. 利用 MoSi2N4 单层快速检测明确的挥发性有机化合物以早期诊断肺癌

IF 3.5 3区化学

Chemistry - An Asian Journal Pub Date : 2024-10-01 DOI: 10.1002/asia.202400956

Tanveer Hussain, Puspamitra Panigrahi, Yash Pal, Surinder Pal Kaur, Hakkim Vovusha, Hyeonhu Bae, Shahid Nazir, Hoonkyung Lee, Akshay Panigrahi

{"title":"Rapid Detection of Explicit Volatile Organic Compounds for Early Diagnosis of Lung Cancer Using MoSi2N4 Monolayer.","authors":"Tanveer Hussain, Puspamitra Panigrahi, Yash Pal, Surinder Pal Kaur, Hakkim Vovusha, Hyeonhu Bae, Shahid Nazir, Hoonkyung Lee, Akshay Panigrahi","doi":"10.1002/asia.202400956","DOIUrl":"https://doi.org/10.1002/asia.202400956","url":null,"abstract":"In this study, we investigate the adsorption of MoSi2N4) and MoSi2N4-VN towards five potential lung cancer volatile organic compounds (VOCs). Density functional theory calculations reveal that MoSi2N4 weakly adsorb the mentioned VOCs, whereas introduction of nitrogen vacancies significantly enhances the adsorption energies ([[EQUATION]]), both in gas phase and aqueous medium. The MoSi2N4-VN monolayers exhibit a reduced bandgap and facilitate charge transfer upon VOCs adsorption, resulting in enhanced [[EQUATION]] values of -0.83, -0.76, -0.49, -0.61, and -0.50 eV for 2,3,4-trimethyl hexane, 4-methyl octane, o-toluidine, Aniline, and Ethylbenzene, respectively. Bader charge analysis and spin-polarized density of states (SPDOS) elucidate the charge redistribution and hybridization between MoSi2N4-VN and the adsorbed VOCs. The work function of MoSi2N4-VN is significantly reduced upon VOCs adsorption due to induced dipole moments, enabling smooth charge transfer and selective VOCs sensing. Notably, MoSi2N4-VN monolayers exhibit sensor responses ranging from 16.2% to 26.6% towards the VOCs, with discernible selectivity. Importantly, the recovery times of the VOCs desorption is minimal, reinforcing the suitability of MoSi2N4-VN as a rapid, and reusable biosensor platform for efficient detection of lung cancer biomarkers. Thermodynamic analysis based on Langmuir adsorption model shows improved adsorption and detection capabilities MoSi2N4-VN under diverse operating conditions of temperatures and pressures.","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":null,"pages":null},"PeriodicalIF":3.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142363583","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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

Cover Feature: Harnessing Solar Power for Oxidation of Organic Compounds by Re(I)Dipyrrinato Complexes (Chem. Asian J. 19/2024) 封面专题：利用太阳能促进 Re(I)Dipyrrinato 复合物氧化有机化合物（《亚洲化学杂志》19/2024）

IF 3.5 3区化学

Chemistry - An Asian Journal Pub Date : 2024-10-01 DOI: 10.1002/asia.202481902

Shekhar Kumar, Kritika Agarwal, Sanyam, Anirban Mondal, Iti Gupta

引用次数: 0

Front Cover: Fabrication of Porous Adsorbents Templated from Capillary Foam Stabilized with Chlorella for Highly Efficient Removal of Cationic Dyes (Chem. Asian J. 19/2024) 封面：用小球藻稳定毛细泡沫模板制造多孔吸附剂，高效去除阳离子染料（《亚洲化学杂志》19/2024）

IF 3.5 3区化学

Chemistry - An Asian Journal Pub Date : 2024-10-01 DOI: 10.1002/asia.202481901

Dr. Hui Yu, Yongfeng Zhu, Fangzhi Duan, Aiping Hui, Prof. Aiqin Wang

引用次数: 0

Divergent Regioselective Synthesis of Functionalized 1,2,3-1H-Triazoles from Nitriles and Arylazides Under Metal-Free and/or Solvent-Free Conditions. 在金属和/或无溶剂条件下，从腈和芳基吖嗪类化合物中多元区域选择性合成功能化 1,2,3-1H- 三唑。

IF 3.5 3区化学

Chemistry - An Asian Journal Pub Date : 2024-10-01 DOI: 10.1002/asia.202400845

Fernanda Petzold Pauli, Edson de Oliveira Lima Filho, Gerlon de Almeida Ribeiro Oliveira, Luciano Morais Lião, Vinicius Rangel Campos, Luana da Silva Magalhães Forezi, Vitor Francisco Ferreira, Fernando de Carvalho da Silva

{"title":"Divergent Regioselective Synthesis of Functionalized 1,2,3-1H-Triazoles from Nitriles and Arylazides Under Metal-Free and/or Solvent-Free Conditions.","authors":"Fernanda Petzold Pauli, Edson de Oliveira Lima Filho, Gerlon de Almeida Ribeiro Oliveira, Luciano Morais Lião, Vinicius Rangel Campos, Luana da Silva Magalhães Forezi, Vitor Francisco Ferreira, Fernando de Carvalho da Silva","doi":"10.1002/asia.202400845","DOIUrl":"10.1002/asia.202400845","url":null,"abstract":"Highly selective and divergent syntheses, which are crucial in both organic synthesis and medicinal chemistry, involve significant advancements in compound accessibility. By modifying α-cyano esters into α-cyano ketones, the synthesis pathway broadens to include a diverse range of 4-CN, 5-amino, and 5-arylamino derivatives of 1,2,3-triazoles, which are achieved notably through the Dimroth rearrangement. This versatility extends further with the potential for a triple cascade reaction, leading to the production of carboximidamide compounds, which are facilitated by the Cornforth rearrangement. Advancements in compound accessibility not only expand the repertoire of synthesized molecules but also open new avenues for potential pharmacological agents. Building on these findings, we have developed an innovative and efficient method for the divergent synthesis of functionalized 1,2,3-triazoles. This method strategically utilizes α-cyanocarbonyls and arylazides by harnessing their reactivity and compatibility to orchestrate a variety of molecular transformations. By optimizing these substrates, our goal is to simplify synthetic routes, improve product yields, and accelerate the discovery and development of new chemical entities with promising biological activities.","PeriodicalId":145,"journal":{"name":"Chemistry - An Asian Journal","volume":null,"pages":null},"PeriodicalIF":3.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142337814","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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