RSC Mechanochemistry最新文献_第4页

Green-chemistry synthesis and optical properties of lead-free Cs2AgSbCl6 double perovskite by a mechanochemical method† 机械化学法绿色化学合成无铅 Cs2AgSbCl6 双包晶石及其光学特性†.

RSC Mechanochemistry Pub Date : 2024-02-20 DOI: 10.1039/D3MR00024A

Karla Kariny F. Barbosa, Deisy Aristizábal-Giraldo, Jorge M. Osorio-Guillén, José Javier S. Acuña and Fabio F. Ferreira

{"title":"Green-chemistry synthesis and optical properties of lead-free Cs2AgSbCl6 double perovskite by a mechanochemical method†","authors":"Karla Kariny F. Barbosa, Deisy Aristizábal-Giraldo, Jorge M. Osorio-Guillén, José Javier S. Acuña and Fabio F. Ferreira","doi":"10.1039/D3MR00024A","DOIUrl":"https://doi.org/10.1039/D3MR00024A","url":null,"abstract":"Cs2AgSbCl6 double perovskite (DP) has been synthesized through many solid-state and solution routes. Still, using unsustainable solvents and complicated synthesis processes are unattractive for large-scale manufacturing. The synthesis of Cs2AgSbCl6 using a green approach, mechanosynthesis, offers a sustainable alternative to traditional methods, reducing the environmental impact of solvents and complex processes. X-ray diffraction confirms its double perovskite cubic structure with the space group Fm<img>m (225) and unit cell parameter a = 10.674(2) Å. Diffuse reflectance measurements indicate a slightly smaller indirect band gap (2.61 eV) than chemically synthesized perovskites. The compound demonstrates stability in air and under light. The electronic structure and optical properties of the host material are calculated using quasi-particle theory GW approximation and the Bethe–Salpeter equation (BSE), including the spin–orbit coupling (SOC); the latter is responsible for the emergence of an intermediate conduction band. These findings suggest that double halide perovskite semiconductors, exemplified by the Cs2AgSbCl6 DP, can be an eco-friendly alternative to lead halide perovskite semiconductors.","PeriodicalId":101140,"journal":{"name":"RSC Mechanochemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/mr/d3mr00024a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140114112","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ball-milling for efficient synthesis of pyridine-containing iron(ii) photosensitizers† 球磨法高效合成含吡啶的铁（ii）光敏剂†

RSC Mechanochemistry Pub Date : 2024-02-20 DOI: 10.1039/D3MR00033H

Enita Rastoder, Thierry Michel, Frédéric Lamaty and Xavier Bantreil

引用次数: 0

“Wash-free” synthesis of cyclodextrin metal–organic frameworks† 环糊精金属有机框架的 "免洗 "合成†

RSC Mechanochemistry Pub Date : 2024-02-16 DOI: 10.1039/D3MR00006K

Shuhei Fujita, Kazunori Kadota, Atsushi Koike, Hiromasa Uchiyama, Yuichi Tozuka and Shunsuke Tanaka

引用次数: 0

“What makes every work perfect is cooking and grinding”: the ancient roots of mechanochemistry† "凡事预则立，不预则废"：机械化学的古老根源†。

RSC Mechanochemistry Pub Date : 2024-02-14 DOI: 10.1039/D3MR00035D

Marianna Marchini, Giacomo Montanari, Lucia Casali, Matteo Martelli, Lucia Raggetti, Matej Baláž, Peter Baláž and Lucia Maini

{"title":"“What makes every work perfect is cooking and grinding”: the ancient roots of mechanochemistry†","authors":"Marianna Marchini, Giacomo Montanari, Lucia Casali, Matteo Martelli, Lucia Raggetti, Matej Baláž, Peter Baláž and Lucia Maini","doi":"10.1039/D3MR00035D","DOIUrl":"https://doi.org/10.1039/D3MR00035D","url":null,"abstract":"This paper explores the historical significance of milling in various technological areas from ancient times, emphasizing its role beyond the simple ingredient reduction. The study focuses on sources from the 1st to the 10th centuries: philologists selected, studied, and translated ancient sources, while chemists provided chemical interpretations by replicating the recipes in the laboratory. The study delves into the synthesis of cinnabar from mercury and sulphur, or mineral ores such as orpiment, realgar, and stibnite. While the mercury–sulphur reaction is known, the synthesis from sulphide ores is not reported in the literature. Chemical replication assessed the reactions' feasibility and confirmed the fundamental role of grinding for the yield of the reaction, which was already recognized by the alchemist Zosimus of Panopolis (3rd–4th cent. CE) who claimed “what makes every work perfect is cooking and griding”.","PeriodicalId":101140,"journal":{"name":"RSC Mechanochemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/mr/d3mr00035d?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140114130","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dynamic mechanochemistry: accelerated self-sorting of two imine-based metal complexes under solvent-free mechanochemical conditions† 动态机械化学：在无溶剂机械化学条件下两种亚胺基金属复合物的加速自分选†。

RSC Mechanochemistry Pub Date : 2024-02-14 DOI: 10.1039/D3MR00021D

Thomas E. Shaw, Justin Arami, Jean-François Ayme, Jean-Marie Lehn and Titel Jurca

引用次数: 0

Deriving kinetic insights from mechanochemically synthesized compounds using multivariate analysis (MCR-ALS) of powder X-ray diffraction data† 利用粉末 X 射线衍射数据的多元分析 (MCR-ALS) 从机械化学合成的化合物中获得动力学启示†。

RSC Mechanochemistry Pub Date : 2024-02-14 DOI: 10.1039/D3MR00013C

Laura Macchietti, Lucia Casali, Franziska Emmerling, Dario Braga and Fabrizia Grepioni

引用次数: 0

Diverse metastable diarylacetonitrile radicals generated by polymer mechanochemistry† 聚合物机械化学†产生的多种可蜕变的二芳基乙腈自由基

RSC Mechanochemistry Pub Date : 2024-02-14 DOI: 10.1039/D3MR00031A

Takumi Yamamoto, Daisuke Aoki, Koichiro Mikami and Hideyuki Otsuka

{"title":"Diverse metastable diarylacetonitrile radicals generated by polymer mechanochemistry†","authors":"Takumi Yamamoto, Daisuke Aoki, Koichiro Mikami and Hideyuki Otsuka","doi":"10.1039/D3MR00031A","DOIUrl":"https://doi.org/10.1039/D3MR00031A","url":null,"abstract":"Fluorescent radicals have attracted great attention as luminescent materials, mostly on account of their potential to achieve higher luminescence efficiency than closed-shell molecules. However, analyzing fluorescent radicals at ambient conditions remains a challenging task, because radicals are usually unstable in air. In addition, to the best of our knowledge, research aimed at controlling fluorescence wavelengths through substituent changes has not yet been accomplished. Here, we report diverse metastable diarylacetonitrile (DAAN) radicals, which contain different substituents, generated by polymeric mechano-chemical reactions. The DAAN radicals, generated by ball-milling powdered polystyrene together with DAAN derivatives, were dispersed within the polystyrene matrix, where they retained their radical state, which allowed measuring solid-state fluorescence spectra. These measurements revealed that a wide range of fluorescence wavelengths from green to red (λem,max = 517–635 nm) can be achieved only by changing the substituents on the aromatic rings in these DAAN radicals. This phenomenon has not been observed for the well-studied triarylmethyl radicals. The fluorescence wavelength of these DAAN radicals can be precisely estimated by time-dependent density-functional theory (TD-DFT) calculations. The amount of DAAN radicals generated upon ball-milling is discussed in conjunction with DFT calculations and experimental results. Our results suggest that the orbital interactions with polymeric mechanoradicals, the bond-dissociation enthalpy, and the steric protection of the radical center are of paramount importance for the generation of DAAN radicals. The results of this study can be expected to provide useful guidelines for the development of advanced fluorescent radicals.","PeriodicalId":101140,"journal":{"name":"RSC Mechanochemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/mr/d3mr00031a?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140924788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Enhanced HP1α homodimer interaction via force-induced salt bridge formation: implications for chromatin crosslinking and phase separation† 通过力诱导盐桥形成增强HP1α同源二聚体相互作用：对染色质交联和相分离的影响†

RSC Mechanochemistry Pub Date : 2024-02-13 DOI: 10.1039/D3MR00011G

Shingo Tsukamoto, Mohammad Khavani, Nya Domkam and Mohammad R. K. Mofrad

{"title":"Enhanced HP1α homodimer interaction via force-induced salt bridge formation: implications for chromatin crosslinking and phase separation†","authors":"Shingo Tsukamoto, Mohammad Khavani, Nya Domkam and Mohammad R. K. Mofrad","doi":"10.1039/D3MR00011G","DOIUrl":"https://doi.org/10.1039/D3MR00011G","url":null,"abstract":"Recent studies have underscored the potential role of Heterochromatin Protein 1α (HP1α) in chromatin crosslinking, phase separation, and the orchestration of nuclear mechanics. One of the cornerstones of HP1α functionality lies in its homodimerization through the chromoshadow domain (CSD), which is crucial for these processes. Nevertheless, it has remained unknown how HP1α can foster condensations responding to mechanical force and induce phase separation in the mechanically unfavorable heterochromatin region. To elucidate the biophysical basis of HP1α, we used full atomistic molecular dynamics (MD) simulations, focusing on the CSD–CSD dimer of HP1α under a pulling force. Notably, force application resulted in a stronger, more stable interaction at the α-helix interface of the CSD–CSD. This enhanced interaction was attributed to a force-induced salt bridge formation on the α-helix interface, emerging from an angle alteration of a lysine residue that enables closer proximity to a glutamic acid residue on the paired CSD. This study reveals an intriguing facet of HP1α mechanics: its mechanical sensitivity, wherein dimerization strength is enhanced by mechanical force. The molecular dynamics of the CSD–CSD dimer under force provide novel insights into HP1α mechanics, contributing to our understanding of chromatin mechanics and phase separation.","PeriodicalId":101140,"journal":{"name":"RSC Mechanochemistry","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://pubs.rsc.org/en/content/articlepdf/2024/mr/d3mr00011g?page=search","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140114120","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Theory of flow-induced covalent polymer mechanochemistry in dilute solutions† 稀溶液中流动诱导共价聚合物机械化学理论†.

RSC Mechanochemistry Pub Date : 2024-02-06 DOI: 10.1039/D3MR00009E

Etienne Rognin, Niamh Willis-Fox and Ronan Daly

引用次数: 0

Systematic investigation of the mechanocatalytic partial depolymerization of cellulose towards oligomeric glycans 对纤维素在机械催化下部分解聚成低聚糖的系统研究

RSC Mechanochemistry Pub Date : 2024-02-05 DOI: 10.1039/D3MR00005B

Gregor Meyer, Dominique Lumpp, Anne-Kathrin Stulik, Dagmar Hoffmann and Marcus Rose

引用次数: 0