Chemical record最新文献

{"title":"How to Tackle the Killer of Supercapacitors: Self-Discharge.","authors":"Siying Wu, Yue Wu, Tinghao Zhang, Jialei Bao, Wei-Shi Li, Fu-Gang Zhao","doi":"10.1002/tcr.70230","DOIUrl":"https://doi.org/10.1002/tcr.70230","url":null,"abstract":"<p><p>Supercapacitors have emerged as a vital component in electrochemical energy storage, owing to their compelling advantages including high power density, long cycle life, fast charge/discharge capability, wide operating temperature range, high safety, and environmental friendliness. However, the severe self-discharge phenomenon causes spontaneous voltage decay and continuous energy loss under open-circuit conditions, significantly restricting their practical deployment in independent energy storage and long-term reliability scenarios. To address this critical bottleneck, this review first decouples the three dominant self-discharge mechanisms from a fundamental perspective, namely ohmic leakage, parasitic Faradaic reactions, and charge redistribution. Anchored in device architecture, it then systematically summarizes the influence of each component, including the current collector, electrode material, electrolyte, and separator, on self-discharge behavior and the corresponding suppression strategies. This work aims to provide directional guidance for constructing high-energy supercapacitors with ultralow self-discharge.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":" ","pages":"e70230"},"PeriodicalIF":8.9,"publicationDate":"2026-09-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148879275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Asymmetric Synthesis of Atropisomers Featuring an Aza-Axis via N-Heterocyclic Carbene Catalysis.","authors":"Xiao-Yong Duan, Dongyan Li, Zitong Yao, Chang Guo, Jing Qi","doi":"10.1002/tcr.70244","DOIUrl":"https://doi.org/10.1002/tcr.70244","url":null,"abstract":"<p><p>The research of atropisomerism containing aza axes (such as C─N, N─N, C─O, and C─B) in synthetic chemistry has drawn considerable attention in the past few years, primarily due to its importance to natural products total synthesis, pharmaceuticals, and materials science. In contrast to the well-established field of C─C atropisomers, the catalytic asymmetric construction of aza-axial chirality was largely overlooked for a long time until the seminal reports by Taguchi and Curran in the early 2000s. This review mainly summarizes the progress in N-heterocyclic carbene-mediated atroposelective construction of aza-axial chiral atropisomers, covering strategies including kinetic resolution (KR), dynamic KR, desymmetrization, de novo annulation, and direct atroposelective N-acylation. Despite these achievements, the asymmetric synthesis of aza-axial chirality remains far less developed than that of C─C atropisomers, owing to the difficulty in controlling enantioselectivity. Exploration of efficient and novel methods for constructing aza-axial chiral molecules is highly desirable.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":" ","pages":"e70244"},"PeriodicalIF":8.9,"publicationDate":"2026-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148863744","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Recent Advances in Base-Mediated [5 + 1] Annulation Reactions.","authors":"Yao Jiang, Yue Wang, Teck-Peng Loh","doi":"10.1002/tcr.70243","DOIUrl":"https://doi.org/10.1002/tcr.70243","url":null,"abstract":"<p><p>The [5 + 1] annulation is a highly efficient strategy for constructing six-membered carbocycles, heterocycles, and spiro/fused ring skeletons, playing a crucial role in the synthesis of natural products, pharmaceuticals, and functional molecules. Traditional transition-metal-catalyzed methods often suffer from limitations such as metal contamination, high costs, and tedious workup procedures. In contrast, base-mediated/catalyzed systems have emerged as a prominent research hotspot owing to their metal-free nature, mild conditions, excellent functional group tolerance, and green economy. This review systematically summarizes the recent advances in base-mediated [5 + 1] cycloadditions over the past two decades. Based on the catalytic systems, the reactions are categorized into organic bases (tertiary amines, N-heterocyclic carbenes, organophosphines) and inorganic bases (potassium tert-butoxide, carbonates, and potassium methoxide). The cyclization modes involving various five-atom synthons with one-carbon/one-nitrogen synthons are discussed in detail. This review aims to provide a comprehensive theoretical reference for the future design of novel base-mediated cycloadditions and the construction of complex cyclic pharmaceutical skeletons.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":" ","pages":"e70243"},"PeriodicalIF":8.9,"publicationDate":"2026-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148863734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Understanding the Dynamics of Mechanically Interlocked Molecular Systems via Metadynamics Simulations.","authors":"Clara Sabrià, Luigi Leanza, Massimo Delle Piane, Max von Delius, Ferran Feixas, Xavi Ribas, Giovanni M Pavan","doi":"10.1002/tcr.70238","DOIUrl":"https://doi.org/10.1002/tcr.70238","url":null,"abstract":"<p><p>Mechanically interlocked molecules, such as rotaxanes and catenanes, display complex internal dynamics and reciprocal motions that are central to their use as artificial molecular machines. Revealing how these motions occur, the key interactions, and the rate-limiting steps determining their kinetics is essential for understanding and designing functional systems. However, due to scale-, space-, and time-resolution limits, this is typically not easy to access via experimental techniques. In this Personal Account, we discuss representative examples from our recent work using classical molecular dynamics and metadynamics simulations to investigate the key mechanisms, the thermodynamics, and kinetics of the internal dynamics of rotaxanes and catenanes. This allows access to the dynamics of mechanically interlocked systems at atomistic resolution, disentangling bound, unbound, and intermediate states and the dynamical interconversion between them, and providing information on kinetic barriers and characteristic timescales. Such atomistic-scale simulations provide results that are reliable and in very good agreement with the available experimental measurements. Overall, this account illustrates the value of molecular simulations as a predictive and complementary tool for understanding mechanically interlocked molecules in motion.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":" ","pages":"e70238"},"PeriodicalIF":8.9,"publicationDate":"2026-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148839371","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Graphene-Based Composites for Cancer and Antimicrobial Applications: From Structural Design to Clinical Practice.","authors":"Jing Xu, Yujia Han, Haixiang Zeng, Hongxia Li, Xiaohui Niu, Xiaoyu Liu, Li Chen, Deyi Zhang, Dongqiang Zhang, Kunjie Wang","doi":"10.1002/tcr.70237","DOIUrl":"https://doi.org/10.1002/tcr.70237","url":null,"abstract":"<p><p>Through synergistic interactions with functional components such as metals, metal oxides, polymers, and biomolecules, graphene-based composites can simultaneously exhibit properties including photothermal conversion, drug delivery, imaging, and molecular recognition, demonstrating significant application potential in cancer diagnosis and treatment as well as antimicrobial therapy. Given that existing research has primarily focused on graphene materials themselves and that a systematic summary of the relationship between the preparation, structure, properties, and safety of graphene-based composites is still lacking, this paper reviews preparation methods such as laser etching, hydrothermal synthesis, chemical vapor deposition, thermal reduction, water-induced plastic foaming, and electrochemical exfoliation and analyzes their effects on material yield, particle size distribution, defect density, cost, and batch-to-batch consistency. It further outlines research progress in the field of tumor therapy, covering drug delivery, combination therapy, biosensing and diagnostics, toxicology, and antimicrobial applications. Particular attention is given to recent advancements in graphene-based composites. Finally, the paper discusses the major obstacles to the clinical translation of graphene-based composites, as well as the lack of standardized characterization and biosafety evaluation systems suitable for composite systems. In the future, a corresponding standardized evaluation framework should be established to lay the foundation for their safe, reproducible, and scalable biomedical applications.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":" ","pages":"e70237"},"PeriodicalIF":8.9,"publicationDate":"2026-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148825701","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Bismuth Telluride-Based Thermoelectric Thin Films: From Deposition Strategies to Flexible and Wearable Devices.","authors":"Samira Saddique, Inaam Ullah, Muhammad Irfan, Ameer Sultan, Ayesha Irfan, Shanza Taswar, Sara Anbreen, Wenjun Wang, Hammad Waheed, Salamat Ali, Guiying Xu","doi":"10.1002/tcr.70240","DOIUrl":"https://doi.org/10.1002/tcr.70240","url":null,"abstract":"<p><p>Thermoelectric (TE) materials convert thermal gradients into electrical energy, offering asolid-state route to sustainable power generation and precision cooling. Among these, Bi₂Te₃-based thin films including alloys such as Bi₂Te_3-xSe_x and Bi_xSb_2-xTe₃ are key candidates for microenergy systems due to their reduced dimensionality, which enhances phonon scattering and enables precise charge transport control. Thin-film architectures provide seamless integration with flexible substrates, engineered interfaces that suppress lattice thermal conductivity (κ_L), and millisecond-scale thermal response. This review critically examines fabrication techniques for Bi₂Te₃-based thin films, including physical vapor deposition (coevaporation, pulsed laser deposition, and magnetron sputtering), low-pressure chemical vapor deposition, solution-based methods (electrochemical deposition, spin-coating, and wet-chemical synthesis) and screen printing technique. Each deposition method is evaluated for stoichiometric control, microstructure, and interfacial quality, with process parameters linked to TE performance and optimized films demonstrated in flexible, wearable, and conformal devices. The analysis reveals a fundamental trade-off between TE efficiency, manufacturing scalability, and mechanical durability-a trilemma that no single deposition method can resolve. This work bridges advanced fabrication science with practical device integration for emerging flexible electronics, addressing key challenges including scalability, contact resistance, and sustainable manufacturing.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":" ","pages":"e70240"},"PeriodicalIF":8.9,"publicationDate":"2026-08-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148825662","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Controlling Chemo- and Site-Selectivity Through the Formation of Radicals Adjacent to a sp² Carbon.","authors":"Anil Rajendra Paraskar, Rupali Dasharath Shinde, Sukalyan Bhadra","doi":"10.1002/tcr.70231","DOIUrl":"https://doi.org/10.1002/tcr.70231","url":null,"abstract":"<p><p>Achieving high chemo- and site-selectivity is crucial in organic synthesis. High selectivity directly minimizes undesired by-products, thereby increasing the atom economy and eliminating the wasteful purification steps. While the control of chemoselectivity is precisely achieved by the reactivity variation between two different functional groups, that of site-selectivity is a challenging task. Historically, substrate-directed approaches have played a key role in realizing site-selective transformations. On contrary, modern site-selective approaches are rather dependent on radical chemistry. In this context, transformations via metal-catalyzed SET-induced formation of radical intermediates arguably represent a powerful strategy that has received considerable attention within last two decades. Among the various classes, a radical intermediate adjacent to a C_sp ² center is relatively stabilized compared to the corresponding alkyl radical species, which is attributed to the resonance delocalization of the unpaired electron into the adjacent system. By engaging those radical intermediates, numerous approaches that have been accomplished proceed with amazingly perfect chemo- and site-selectivity. Noteworthy instances include transformations via the formation of carboxylate radicals and α-carbonyl radicals from carboxylic acids, ketones, etc. In this account, we describe developments on this area that have emanated primarily from our original research together with a few instances of closely related works by others.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":" ","pages":"e70231"},"PeriodicalIF":8.9,"publicationDate":"2026-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148808027","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Serendipitous Emergence of Pyrrolo[2,3,4-kl]acridin-1(2H)-one Derivatives: From Unexpected Discovery to Synthetic Development.","authors":"Swadhin Swaraj Acharya, Rudranarayan Sutar, Subhakalyani Nayak, Bibhuti Bhusan Parida","doi":"10.1002/tcr.70239","DOIUrl":"https://doi.org/10.1002/tcr.70239","url":null,"abstract":"<p><p>Serendipitous discoveries have often opened new doors in organic synthesis for the synthesis of unknown reaction paths and molecular frameworks. The well-known method to synthesize acridine derivatives is the classical multicomponent condensation of amines, carbonyl compounds, and 1,3-dicarbonyl compounds. In 2012, Kefayati and coworkers reported the remarkable unprecedented synthesis of pyrrolo[2,3,4-kl]acridin-1(2H)-one derivatives from a multicomponent reaction combining isatin, dimedone, and aniline derivatives. The complex pyrroloacridine scaffold, a motif associated with many natural products and bioactive molecules, was directly synthesized by this unexpected transformation, which was distinct from the traditional synthesis of acridines. Significant advancements have been made in the design of several synthetic approaches for pyrroloacridine derivatives since this landmark discovery. This comprehensive review summarizes the advances covering synthetic approaches, mechanistic insights, and future perspectives.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":" ","pages":"e70239"},"PeriodicalIF":8.9,"publicationDate":"2026-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148808168","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Oxaziridines: Versatile Reagents in Modern Organic Synthesis.","authors":"Ajeet Chandra, Subba Rao Cheekatla, Keshaba Nanda Parida","doi":"10.1002/tcr.70232","DOIUrl":"https://doi.org/10.1002/tcr.70232","url":null,"abstract":"<p><p>Oxaziridines are three-membered heterocyclic compounds containing a carbon, an oxygen, and a nitrogen atom. Along with high regio-, chemo-, enantio-, and diastereoselectivity, oxaziridines have gained more interest in modern organic synthesis due to their unique structural and electronic features that allow O-atom and N-group/atom transfer reactions. The reactions of oxaziridines can be performed both stoichiometrically and catalytically. Their applications include selective α- and γ-hydroxylation/amination of carbonyl compounds, epoxidation of olefins and oxidation of thiols, sulfides and sulfoxides, etc. In addition, oxaziridines have been explored for ring-opening, rearrangement, and fragmentation, which produce amides, nitrones, imines, and other useful synthetic intermediates. Notably, oxaziridines undergo cycloaddition with alkenes, alkynes, ketenes, nitriles, etc., and offer structurally diverse heterocyclic frameworks such as isoxazolines, isoxazoles, oxadiazolines, oxadiazoles, etc. Among various oxaziridines, N-sulfonyl oxaziridines are known as Davis reagents, which are widely used for selective oxidations and synthesis of heterocycles. Chiral oxaziridines and oxaziridinium salts have found a broad spectrum of applications in asymmetric synthesis, enabling enantioselective oxygen-transfer reactions and the synthesis of complex molecules. This review collates the synthesis, structural features, mechanistic aspects, reactivity patterns, and synthetic applications of oxaziridines, including their roles in oxidation chemistry, cycloadditions, rearrangements, and synthesis of heterocyclics, natural products, and pharmaceutical drugs.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":" ","pages":"e70232"},"PeriodicalIF":8.9,"publicationDate":"2026-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148808025","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Pyrimidine-Based Hybrids for Epidermal Growth Factor Receptor Targeting: Structure-Activity Relationships and Comparative Activity Profiling.","authors":"Ankush Kumar, Rajwinder Kaur, Rohit Bhatia","doi":"10.1002/tcr.70234","DOIUrl":"https://doi.org/10.1002/tcr.70234","url":null,"abstract":"<p><p>Pyrimidine has become an important scaffold for designing anticancer drugs because of its planar aromatic structure, synthetic versatility, and ability to establish key interactions with its target. This heterocyclic scaffold is an essential component of nucleic acids and many biologically active molecules, which makes it highly relevant for therapeutic application. In recent years, significant attention has been directed toward pyrimidine-based hybrid molecules, in which the pyrimidine core is integrated with other bioactive scaffolds to enhance the anticancer activity. The present review encompasses a wide range of such hybrids, including pyrimidine-quinoline, pyrimidine-indole, pyrimidine-triazole, pyrimidine-chalcone, pyrimidine-pyrazole, pyrimidine-imidazole, pyrimidine-thiazole, and pyrimidine-oxadiazole derivatives. This hybridization strategy facilitates the development of multitargeted agents capable of modulating key signaling pathways in cancer. Among these, epidermal growth factor receptor (EGFR) has gained particular importance due to its central role in tumor growth, survival, and metastasis. This review focuses on the last 2 years' advancements (from Jan 2025 to early 2026) in the development of pyrimidine-containing hybrid molecules as EGFR inhibitors. Different hybridization techniques involving pyrimidine linked or fused with another moiety are comprehensively discussed. Furthermore, the present review summarizes the structure-activity relationship (SAR), mechanistic pathway, and molecular interactions responsible for their anticancer potential, with a specific emphasis on their EGFR inhibitory activity, including effects on mutant EGFR. Notably, compounds 16a and 16b (pyrazolo[3,4-d]pyrimidine-sulfonamide hybrids) were identified as the most active EGFR inhibitors with IC₅₀ of 0.069 and 0.064 µM, respectively. Additionally, pyrimidine-based anticancer agents under clinical investigation as EGFR inhibitors are briefly highlighted. Overall, pyrimidine-based hybrids represent a promising direction as next-generation anticancer therapeutics.</p>","PeriodicalId":10046,"journal":{"name":"Chemical record","volume":" ","pages":"e70234"},"PeriodicalIF":8.9,"publicationDate":"2026-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148808190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}