Bulletin of the Chemical Society of Japan最新文献_第2页

Optical manipulation of graphene oxide nanosheets toward arbitrary hetero-stacking of graphene and niobate and titanate nanosheets 对氧化石墨烯纳米片进行光学操纵，实现石墨烯与铌酸盐和钛酸盐纳米片的任意异质堆叠

IF 4 3区化学

Bulletin of the Chemical Society of Japan Pub Date : 2024-08-24 DOI: 10.1093/bulcsj/uoae086

Yasutaka Suzuki, Akira Ikeda, Shuji Nakao, Teruyuki Nakato, Kanji Saito, Jun Kawamata

引用次数: 0

Heterogenous Dynamics of Diffusive Motion in Organic Ionic Plastic Crystal Studied Using Spin-Spin Relaxation Time: N, N-Diethylpyrrolidinium Bis(fluorosulfonyl)amide 利用自旋-自旋弛豫时间研究有机离子塑料晶体中扩散运动的异质动力学：N, N-二乙基吡咯烷双（氟磺酰）酰胺

IF 4 3区化学

Bulletin of the Chemical Society of Japan Pub Date : 2024-08-19 DOI: 10.1093/bulcsj/uoae088

Keiko Nishikawa, Kozo Fujii, Kazuhiko Matsumoto, Hiroshi Abe, Masahiro Yoshizawa-Fujita

{"title":"Heterogenous Dynamics of Diffusive Motion in Organic Ionic Plastic Crystal Studied Using Spin-Spin Relaxation Time: N, N-Diethylpyrrolidinium Bis(fluorosulfonyl)amide","authors":"Keiko Nishikawa, Kozo Fujii, Kazuhiko Matsumoto, Hiroshi Abe, Masahiro Yoshizawa-Fujita","doi":"10.1093/bulcsj/uoae088","DOIUrl":"https://doi.org/10.1093/bulcsj/uoae088","url":null,"abstract":"The temperature dependences of the spin–spin relaxation times (T2) of 1H and 19F nuclei were measured for N, N-diethylpyrrolidinium bis(fluorosulfonyl)amide with a plastic crystal (PC) phase. In the PC phase, two types of T2 were observed in both 1H and 19F experiments, which was considered to be the appearance of heterogeneous dynamics of diffusive motion. By examining temperature dependences of the T2 values and the existence ratios, the following conclusions were reached. (1) The prepared PC sample was in a polycrystalline state, and each crystallite comprised two phases: the core phase (PC phase) and the surface phase formed to relieve surface stress. (2) The 1H-T2 (19F-T2) values of the two phases differed, and ions in the surface phase were more mobile. The 1H-T2 (19F-T2) values for the two phases increased with temperature rise. In particular, the 1H-T2 (19F-T2) values of the surface phase were smoothly connected to the liquid T2 values. (3) The cations and anions exhibited a cooperative diffusive motion. (4) When the temperature was considerably lower than the melting point, the ratio of the surface phase did not significantly differ from when it first formed. However, it rapidly increased near the melting point and became liquid.","PeriodicalId":9511,"journal":{"name":"Bulletin of the Chemical Society of Japan","volume":"46 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142186108","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

Structural Generation by Inverse Transformation Using Principal Component Analysis Enhances Conformational Sampling of 利用主成分分析法通过反变换生成结构增强了对

IF 4 3区化学

Bulletin of the Chemical Society of Japan Pub Date : 2024-08-16 DOI: 10.1093/bulcsj/uoae087

Rikuri Morita, Yasuteru Shigeta, Ryuhei Harada

{"title":"Structural Generation by Inverse Transformation Using Principal Component Analysis Enhances Conformational Sampling of","authors":"Rikuri Morita, Yasuteru Shigeta, Ryuhei Harada","doi":"10.1093/bulcsj/uoae087","DOIUrl":"https://doi.org/10.1093/bulcsj/uoae087","url":null,"abstract":"Molecular dynamics (MD) simulations are frequently used to elucidate the molecular mechanisms underlying protein behaviour. Based on a conformational search with MD simulations, protein structures rich in high-dimensional data can be quantitatively evaluated in free-energy landscapes (FELs). Generally, FELs are defined in low-dimensional subspaces spanned by reaction coordinates (RCs) to characterize biological functions. When calculating FELs of proteins, principal component analysis (PCA) is particularly useful for capturing large-amplitude motions via dimensionality reduction into low-dimensional subspaces. In this study, to efficiently calculate FELs, a simple and convenient method is proposed by accelerating conformational search in a PCA subspace, which is achieved by quick generation of protein configurations. Specifically, inverse transformation driven by PCA facilitates the quick generation of diverse protein configurations from arbitrary grids in a defined PCA subspace. In our conformational search, a set of newly generated configurations serves as initial structures for multiple MD simulations, enabling one to calculate FELs of proteins by building Markov state models from their multiple trajectories. In conclusion, the conformational search from protein configurations broadly distributed in a PCA subspace accelerates FEL calculations, which supports a comprehensive approach to understanding collective protein dynamics.","PeriodicalId":9511,"journal":{"name":"Bulletin of the Chemical Society of Japan","volume":"12 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142186151","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

Development of organic photoreactions utilizing the characteristics of elements with low electronegativity 利用低电负性元素的特性发展有机光反应

IF 4 3区化学

Bulletin of the Chemical Society of Japan Pub Date : 2024-08-07 DOI: 10.1093/bulcsj/uoae080

Yuki Nagashima

引用次数: 0

Imparting chiroptical property to achiral azobenzene derivative via incorporation into chiral-controlled helical nanofibers 通过将非手性偶氮苯衍生物纳入手性控制螺旋纳米纤维，赋予其气光特性

IF 4 3区化学

Bulletin of the Chemical Society of Japan Pub Date : 2024-07-29 DOI: 10.1093/bulcsj/uoae075

Tomoki Ito, Makoto Nakagawa, Takeshi Kawai

{"title":"Imparting chiroptical property to achiral azobenzene derivative via incorporation into chiral-controlled helical nanofibers","authors":"Tomoki Ito, Makoto Nakagawa, Takeshi Kawai","doi":"10.1093/bulcsj/uoae075","DOIUrl":"https://doi.org/10.1093/bulcsj/uoae075","url":null,"abstract":"Chiral transcription from chiral to achiral organic molecules is a fundamental research area in supramolecular chemistry, organic chemistry, and nanoscience. In this study, we demonstrated that chiral transcription of an achiral azobenzene derivative (Azo) can be achieved by embedding it within helically controlled nanofibers. Helical nanofibers were produced via supramolecular assembly of water-insoluble D-12-hydroxystearic acid (D-HSA) as a chiral source and a water-soluble long-chain amidoamine derivative (C18AA) in water. Azo-incorporated helical nanofibers exhibited a circular dichroism (CD) peak at 350 nm, which was assigned to the π−π* transition band of trans-azobenzene chromophore, suggesting a chiral arrangement of Azo molecules in the nanofibers. Because the nanofibers are dispersed in water and Azo is not soluble in water, the selection of an organic solvent to dissolve Azo is important for the incorporation of Azo molecules. When water-immiscible toluene was used as the solvent, Azo incorporation did not occur, because contact between the nanofibers and Azo was inhibited; however, when water-miscible methanol was used, incorporation was achieved. The incorporation of Azo gradually occurred in the pre-assembled C18AA + D-HSA nanofibers, but co-assembly did not occur during the formation of the C18AA + D-HSA nanofibers. We also showed that Azo-containing nanofibers can undergo a reversible thermal phase transition between gel-to-sol states, switching the CD signal of Azo on and off. Furthermore, trans–cis-photoisomerization of Azo embedded in the nanofibers eliminated the CD peak of the trans-isomer, and no new CD peak corresponding to the cis-isomer appeared.","PeriodicalId":9511,"journal":{"name":"Bulletin of the Chemical Society of Japan","volume":"20 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2024-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141869240","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

Catalytic Combustion of Toluene over Co3O4 loaded on ZrSn1−xFexO4−δ ZrSn1-xFexO4-δ 上负载的 Co3O4 催化燃烧甲苯

IF 4 3区化学

Bulletin of the Chemical Society of Japan Pub Date : 2024-07-27 DOI: 10.1093/bulcsj/uoae084

Naoyoshi Nunotani, Takumi Tanaka, Nobuhito Imanaka

{"title":"Catalytic Combustion of Toluene over Co3O4 loaded on ZrSn1−xFexO4−δ","authors":"Naoyoshi Nunotani, Takumi Tanaka, Nobuhito Imanaka","doi":"10.1093/bulcsj/uoae084","DOIUrl":"https://doi.org/10.1093/bulcsj/uoae084","url":null,"abstract":"Toluene is one of the volatile organic compounds which are harmful to the environment and human health. One promising approach to eliminate toluene is catalytic combustion. Although precious metal based catalysts are known to show high activity for toluene combustion, the high price of the precious metals has restricted their widespread applications. In this study, precious-metal-free catalysts of Co3O4/ZrSn1−xFexO4−δ were synthesized for toluene combustion. Here, scrutinyite-type ZrSnO4 was focused as a promoter which can supply active oxygen species from inside the lattice toward the Co3O4 activator. In addition, Fe2+/3+ ions were introduced into the ZrSnO4 lattice to enhance the oxygen supply ability owing to the improvement of redox properties and the formation of oxygen vacancies for smooth oxide ion migration. The oxygen supply from the ZrSn1−xFexO4−δ lattice facilitated toluene oxidation on Co3O4, and the highest catalytic activity was obtained for the 19 wt% Co3O4/ZrSn0.93Fe0.07O4−δ (Co3O4/ZSF0.07) catalyst, where the complete combustion was realized at the temperature as low as 250 °C. The toluene combustion reaction over Co3O4/ZSF0.07 is considered to proceed along a typical route of the rapid transformation of toluene into the intermediates (benzyl alcohol, benzaldehyde, benzoate, and maleic anhydride) and finally the formation of carbon dioxide and water.","PeriodicalId":9511,"journal":{"name":"Bulletin of the Chemical Society of Japan","volume":"165 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2024-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141773358","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

The activity of thermostable NiO/CeO2 heterointerface structure toward low-temperature catalytic CO–NO reaction 可恒温的 NiO/CeO2 异质界面结构在低温催化 CO-NO 反应中的活性

IF 4 3区化学

Bulletin of the Chemical Society of Japan Pub Date : 2024-07-23 DOI: 10.1093/bulcsj/uoae081

Zannatul Mumtarin Moushumy, Hiroshi Yoshida, Kaori Tokusada, Ai Kuraoka, Sota Sakamoto, Masayuki Tsushida, Masato Machida

{"title":"The activity of thermostable NiO/CeO2 heterointerface structure toward low-temperature catalytic CO–NO reaction","authors":"Zannatul Mumtarin Moushumy, Hiroshi Yoshida, Kaori Tokusada, Ai Kuraoka, Sota Sakamoto, Masayuki Tsushida, Masato Machida","doi":"10.1093/bulcsj/uoae081","DOIUrl":"https://doi.org/10.1093/bulcsj/uoae081","url":null,"abstract":"The surface grafting of NiO onto CeO2 nanocrystallites generates heterointerface structures, providing efficient active sites for CO–NO reactions toward forming N2 and CO2. In this study, we investigated the effects of high-temperature thermal aging on the activity and nanostructure of the NiO/CeO2 catalyst. After thermal aging at 900 °C, the catalyst retained a high catalytic activity, whereas the reference catalysts lost theirs owing to considerable solid-state reactions and sintering. The as-prepared fresh NiO/CeO2 catalyst (calcined at 600 °C) contained high dispersions of NiO species in CeO2 crystallites. Conversely, the thermally aged catalyst comprised grown NiO and CeO2 crystallites were allowed to contact intimately to form thermostable interfaces, where the perimeter in the vicinity provided the Ni2+-incorporated CeO2 surface for removing and filling the oxygen species in the catalytic cycle toward facilitating CO–NO reactions. Based on in situ Fourier transform infrared and parallel isotopic reaction analyses, we confirmed the following as possible pathways: (i) the removal of the surface oxygen by the adsorbed CO to form an oxygen vacancy (VO), (ii) the interaction between the adsorbed NO with VO, and (iii) the N–O bond cleavage and the reaction with CO to form isocyanate, followed by the reaction with NO to produce N2.","PeriodicalId":9511,"journal":{"name":"Bulletin of the Chemical Society of Japan","volume":"25 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141773355","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

Black Phosphorus Quantum Dots Functionalized with Photochromic Poly(vinylspiropyran)-Grafted Polydopamine for Transient Digital-Type Memristors 用于瞬态数字式 Memristors 的光致变色聚（乙烯基硅吡喃）接枝多多巴胺功能化黑磷量子点

IF 4 3区化学

Bulletin of the Chemical Society of Japan Pub Date : 2024-07-19 DOI: 10.1093/bulcsj/uoae083

Zemiao Zhao, Qiang Che, Qian Chen, Kexin Wang, Kejia Zhao, Chenjian Zhang, Haidong He, Xinzhu Wang, Yu Chen

{"title":"Black Phosphorus Quantum Dots Functionalized with Photochromic Poly(vinylspiropyran)-Grafted Polydopamine for Transient Digital-Type Memristors","authors":"Zemiao Zhao, Qiang Che, Qian Chen, Kexin Wang, Kejia Zhao, Chenjian Zhang, Haidong He, Xinzhu Wang, Yu Chen","doi":"10.1093/bulcsj/uoae083","DOIUrl":"https://doi.org/10.1093/bulcsj/uoae083","url":null,"abstract":"The covalent functionalization of black phosphorus quantum dots (BPQDs) with organic species or polymers will inevitably change or damage their electronic structure and intrinsic structure. To address this problem and explore application of BPQDs in transient digital-type memristors, a polydopamine (PDA) thin film is first synthesized in situ on the surface of BPQDs to produce a donor–acceptor type BPQDs@PDA composite which is directly used to react with 2-bromoisobutyryl bromide to give BPQDs@PDA-Br. By using BPQDs@PDA-Br as atom transfer radical polymerization agent, a large number of polyvinylspiropyran chains (PSP) are in situ grown from the PDA surface to yield BPQDs@PDA-PSP. Upon UV/visible light illumination, the spiropyran’s two isomers (ring-closed spiropyran form and ring-opened merocyanine) in the PSP moieties will interconvert into each other rapidly. As expected, the as-fabricated ITO/BPQDs@PDA-PSP/ITO device exhibits typical nonvolatile digital-type memristive performance under visible irradiation, with a small turn-on voltage of -1.52 V, a turn-off voltage of +1.16 V, and an ON/OFF ratio of with an ON/OFF current ratio of 1.02 ×104. Upon UV illumination, the information stored in the device is quickly and completely erased within six seconds. By utilizing a simple memristor-based convolutional neural network, one can easily realize handwritten digit recognition. After 10 epochs of training, numeral recognition accuracy can reach up to 96.21%.","PeriodicalId":9511,"journal":{"name":"Bulletin of the Chemical Society of Japan","volume":"25 1","pages":""},"PeriodicalIF":4.0,"publicationDate":"2024-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141744752","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

Sulfonate-Functionalized Covalent Organic Frameworks for Capacitive Deionization 用于电容式去离子的磺酸盐官能化共价有机框架

IF 4 3区化学

Bulletin of the Chemical Society of Japan Pub Date : 2024-07-19 DOI: 10.1093/bulcsj/uoae074

Dong Jiang, Xingtao Xu, Yoshio Bando, Saad M Alshehri, Miharu Eguchi, Toru Asahi, Yusuke Yamauchi

引用次数: 0

Deoxygenative Functionalizations of Aromatic Dicarbonyls and Aldehydes 芳香族二羰基和醛的脱氧功能化

IF 4 3区化学

Bulletin of the Chemical Society of Japan Pub Date : 2024-07-19 DOI: 10.1093/bulcsj/uoae078

Moriaki Sakihara, Shuhei Shimoyama, Miki B Kurosawa, Junichiro Yamaguchi

引用次数: 0