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Curium(iii) luminescence spectroscopy as a tool for species determination Curium(III)发光光谱法作为物种测定的工具。
IF 39 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-10-27 DOI: 10.1039/D5CS00764J
Moritz Schmidt, Andrej Skerencak-Frech, Petra J. Panak and Nina Huittinen

Curium is an artificial transuranic element with atomic number 96. It is typically found in its +III oxidation state, which is stabilized by a 5f7 electron configuration. CmIII exhibits intense luminescence from its first excited to its ground state in the red part of the visual spectrum. Due to the nature of the 5f electron shell, this luminescence is sensitive to changes in the chemical environment of the CmIII probe, while being detectable in the trace concentration range. This unique combination has established CmIII luminescence spectroscopy as an ideal tool for speciation studies in complex systems, particularly those relevant to the nuclear fuel cycle. In this review, we present an overview of the developments and applications of CmIII luminescence spectroscopy in the last 20 years since the last comprehensive review was published. The discussed studies have been categorized according to their chemical environment into reactions at the water/mineral interface, studies of solids containing CmIII, aqueous complexation studies, spectroscopy in non-aqueous systems, and interaction of CmIII with biomolecules and biota. These systems correlate in large parts with areas of application in nuclear waste disposal science, separation processes within current and proposed nuclear fuel cycles, and radioecological research. We summarize the most important findings in the studies, identify emerging trends and persistent challenges in the field of CmIII luminescence spectroscopy. Finally, we offer an outlook on potential future developments and research directions in this area.

锔是一种原子序数为96的人工超铀元素。它通常处于+III氧化态,由5f7电子排布稳定。CmIII从第一次激发到基态在可见光谱的红色部分表现出强烈的发光。由于5f电子壳层的性质,这种发光对CmIII探针的化学环境变化很敏感,同时在痕量浓度范围内可以检测到。这种独特的组合使CmIII发光光谱成为复杂系统中物种形成研究的理想工具,特别是那些与核燃料循环有关的系统。本文综述了近20年来CmIII发光光谱技术的发展和应用。所讨论的研究根据其化学环境分为水/矿物界面反应、含CmIII固体的研究、水络合研究、非水系统的光谱学研究以及CmIII与生物分子和生物群的相互作用。这些系统在很大程度上与核废料处理科学、当前和拟议的核燃料循环中的分离过程以及放射生态学研究中的应用领域有关。我们总结了研究中最重要的发现,确定了CmIII发光光谱领域的新趋势和持续的挑战。最后,对该领域的发展前景和研究方向进行了展望。
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引用次数: 0
Correction: Behavior, mechanisms, and applications of low-concentration CO2 in energy media 修正:低浓度二氧化碳在能源介质中的行为、机制和应用。
IF 39 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-10-23 DOI: 10.1039/D5CS90091C
Minghai Shen, Wei Guo, Lige Tong, Li Wang, Paul K. Chu, Sibudjing Kawi and Yulong Ding

Correction for ‘Behavior, mechanisms, and applications of low-concentration CO2 in energy media’ by Minghai Shen et al., Chem. Soc. Rev., 2025, 54, 2762–2831, https://doi.org/10.1039/D4CS00574K.

对“低浓度CO2在能源介质中的行为、机制和应用”的修正(沈明海等,Chem.)。Soc。Rev., 2025, 54, 2762-2831, https://doi.org/10.1039/D4CS00574K。
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引用次数: 0
Current developments and future perspectives on the formation of luminescent lanthanide supramolecular self-assembly architectures with a focus on nitrogen-based donor ligands 以氮基给体配体为重点的发光镧系超分子自组装体系结构的研究进展及未来展望。
IF 39 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-10-21 DOI: 10.1039/D5CS00750J
Sandra Fernández-Fariña, Oxana Kotova, Shauna R. Donohoe and Thorfinnur Gunnlaugsson

Research on luminescent lanthanide (Ln) self-assembly structures has emerged into a discrete field with clear evolution from monometallic to polymetallic systems over the last few decades. The interest in these assemblies stems, on the one hand, from their structural diversity and fascinating complexity, while on the other hand, from the unique luminescence properties of the lanthanide ions, allowing for the expansion of their applications from materials science to mimicking biological systems. This review begins with a description of the recent advances in the design and properties of monometallic Ln3+ self-assemblies, with a particular focus on tridentate motifs, such as dpa, pybox, and btp, and other non-tridentate nitrogen donor ligands. Later, polymetallic systems, including helicates and metallocages, are described with their structures, followed by an elaboration on how a careful ligand design allows for the modification of the overall assembly (i.e. helical, tetrahedral, cubic and other polyhedra). The influences of counter-anions, concentrations, metal:ligand ratios and solvents are also discussed. The fascinating new developments within mechanically interlocked molecules containing lanthanide ions are highlighted with a focus on their structural complexity and reversible binding properties. Furthermore, this review will focus on the functional properties of lanthanide assemblies including their temperature-dependent luminescence, host–guest interaction and aggregation-induced emission. The use of such ligands in metallo-supramolecular polymers is briefly discussed, including their application in the generation of luminescent hydrogels, supramolecular polymers and other conventional polymers. We conclude this review with the perspective of exploring the biological properties and toxicity of lanthanide complexes, their application in imaging, and the recovery of lanthanides for sustainable use as well as their promising applications in smart materials, sensing and diagnostics.

近几十年来,发光镧系自组装结构的研究已成为一个独立的领域,从单金属到多金属体系的发展趋势明显。一方面,对这些组件的兴趣源于它们的结构多样性和迷人的复杂性,而另一方面,来自镧系离子独特的发光特性,允许它们从材料科学扩展到模拟生物系统的应用。本文首先介绍了单金属Ln3+自组装体的设计和性能方面的最新进展,重点介绍了dpa、pybox和btp等三齿基序和其他非三齿氮给体配体。随后,介绍了多金属体系,包括螺旋体和金属位,以及它们的结构,然后详细说明了如何通过仔细的配体设计来修改整体组装(即螺旋体、四面体、立方体和其他多面体)。还讨论了反阴离子、浓度、金属配体比和溶剂的影响。在包含镧系离子的机械互锁分子中,突出了引人入胜的新进展,重点是它们的结构复杂性和可逆结合特性。此外,本文将重点介绍镧系化合物的功能特性,包括它们的温度依赖性发光,主客体相互作用和聚集诱导发射。简要讨论了这类配体在金属超分子聚合物中的应用,包括它们在发光水凝胶、超分子聚合物和其他常规聚合物中的应用。本文从镧系化合物的生物学特性和毒性、在成像中的应用、镧系化合物的可持续性回收以及在智能材料、传感和诊断等方面的应用等方面进行综述。
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引用次数: 0
Modeling protein–ligand interactions for drug discovery in the era of deep learning 在深度学习时代为药物发现建模蛋白质-配体相互作用。
IF 39 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-10-21 DOI: 10.1039/D5CS00415B
Yuzhe Wang, Yibo Li, Jiaxiao Chen and Luhua Lai

Accurate modeling of protein–ligand interactions is a cornerstone of rational drug discovery, yet persistent challenges remain due to the intricate complexity of molecular interactions and the limitations of conventional physics-based computational methods. Approaches such as molecular dynamics simulations, molecular docking, and free energy calculations provide theoretically rigorous insights grounded in physical principles, but their practical deployment is often constrained by high computational cost, limited scalability for large systems, and questionable predictive accuracy in real-world settings. Recent advances in deep learning (DL) have introduced powerful data-driven paradigms that complement and extend physics-based strategies across several dimensions, including (1) DL-augmented molecular dynamics, (2) DL-enhanced molecular docking and virtual screening, (3) end-to-end modeling of target proteins and protein–ligand complexes, (4) structure-based de novo drug design with deep generative models, and (5) sequence-based methods for interaction prediction and drug discovery. In this review, we provide a focused overview of these advances, highlight emerging strategies for their integration, examine ongoing challenges, and outline future directions. We argue that bridging physics-based and data-driven approaches not only improves predictive power and efficiency, but also enables exploration of the vast chemical and biological spaces central to modern drug discovery.

蛋白质-配体相互作用的精确建模是合理药物发现的基石,但由于分子相互作用的复杂性和传统基于物理的计算方法的局限性,仍然存在持续的挑战。分子动力学模拟、分子对接和自由能计算等方法提供了基于物理原理的理论上严格的见解,但它们的实际部署通常受到高计算成本、大型系统的有限可扩展性和现实环境中令人质疑的预测准确性的限制。深度学习(DL)的最新进展引入了强大的数据驱动范式,这些范式在多个维度上补充和扩展了基于物理的策略,包括(1)DL增强的分子动力学,(2)DL增强的分子对接和虚拟筛选,(3)靶蛋白和蛋白质配体复合物的端到端建模,(4)基于结构的基于深度生成模型的从头药物设计,以及(5)基于序列的相互作用预测和药物发现方法。在这篇综述中,我们对这些进展进行了重点概述,强调了整合这些进展的新兴战略,研究了当前的挑战,并概述了未来的方向。我们认为,将基于物理和数据驱动的方法结合起来,不仅可以提高预测能力和效率,还可以探索现代药物发现的巨大化学和生物空间。
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引用次数: 0
Recent progress towards catalytic asymmetric construction of inherently chiral scaffolds 催化不对称构建固有手性支架的研究进展。
IF 39 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-10-20 DOI: 10.1039/D5CS00235D
Kai Zhu, David R. Spring, Bing-Feng Shi and Fengzhi Zhang

Inherently chiral scaffolds are a unique type of structurally fascinating building blocks, which have found increasing applications in the field of material chemistry, medicinal chemistry, asymmetric synthesis, molecular recognition and assembly. Owing to the steady demand for these chiral entities, numerous efforts have been made on their enantioselective synthesis. Among the plethora of accomplishments reported, the catalytic asymmetric strategy is emerging as one of the most efficient and sustainable approaches. This protocol provides a powerful platform to achieve enantiomerically pure inherently chiral architectures with structural diversity. In this review article, we aim to generalize the booming and remarkable advancements in asymmetric synthesis of inherently chiral calix[n]arenes, pillar[n]arenes, saddle-shaped scaffolds, mechanically interlocked molecules, and prism-like cages under catalyst control, which would offer valuable insights for future research on the rational design of conceptually novel and streamlined asymmetric synthetic systems, thereby expanding the scope/chemical space and improving the added value of inherently chiral molecules.

固有手性支架是一种独特的结构迷人的构建模块,在材料化学、药物化学、不对称合成、分子识别和组装等领域得到了越来越多的应用。由于对这些手性实体的稳定需求,人们对它们的对映选择性合成进行了大量的研究。在报告的众多成就中,催化不对称战略正在成为最有效和可持续的方法之一。该协议为实现具有结构多样性的对映体纯固有手性结构提供了一个强大的平台。本文综述了在催化控制下,固有手性杯[n]芳烃、柱[n]芳烃、鞍形支架、机械互锁分子和棱柱状笼等不对称合成领域取得的重大进展,为今后合理设计概念新颖、流线型的不对称合成体系提供有价值的见解。从而扩大范围/化学空间,提高固有手性分子的附加值。
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引用次数: 0
Advances in chiral analysis: from classical methods to emerging technologies 手性分析的进展:从经典方法到新兴技术。
IF 39 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-10-20 DOI: 10.1039/D4CS01202J
Roberto Penasa, Giulia Licini and Cristiano Zonta

The wide impact that chirality exerts in various fields of science has continuously pushed the development of methods and instruments capable of performing fast and reliable enantiomeric excess (ee) determination. From the historical optical polarimeter to modern instruments and supramolecular probes, this research field is continuously developing with the purpose of finding techniques of more general applicability and/or reducing the time and cost of analysis. The aim of this tutorial review is to provide the reader with a comprehensive overview of the available methodologies, referring to more specific reviews on the topic when available. Particular focus will be directed towards recent progress in this field, highlighting the advantages and disadvantages of the techniques and indicating recent trends in research.

手性在各个科学领域的广泛影响不断推动了能够快速可靠地测定对映体过量(ee)的方法和仪器的发展。从历史上的光学偏振计到现代仪器和超分子探针,这一研究领域不断发展,目的是寻找更普遍适用的技术和/或减少分析的时间和成本。本教程回顾的目的是向读者提供可用方法的全面概述,并在可用时参考有关该主题的更具体的回顾。将特别着重于这一领域的最新进展,突出这些技术的优点和缺点,并指出最近的研究趋势。
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引用次数: 0
Organoantimony: a versatile main-group platform for pnictogen-bonding and redox catalysis 有机锑:一个多功能的主基团平台,用于氧原键合和氧化还原催化。
IF 39 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-10-17 DOI: 10.1039/D3CS00332A
Elisa Chakraborty and Robin Weiss

The chemistry of main-group elements has seen remarkable advances in organic synthesis and catalysis, redefining the boundaries of redox and acid–base reactivity traditionally dominated by transition metals. Among these developments, organoantimony chemistry has remained largely overlooked. Yet, recent discoveries have unveiled its multifaceted reactivity, spanning redox processes and Lewis acidity through the so-called pnictogen bond, positioning it as a promising underexplored platform for organic synthesis and catalysis. This Tutorial Review delves into the fundamental principles underlying organoantimony reactivity, drawing comparisons with other main-group elements while highlighting its distinctive behaviour. We examine its emerging roles in non-covalent interactions, organometallic transformations, and redox catalysis, offering a comprehensive perspective on its synthetic potential.

主族元素的化学在有机合成和催化方面取得了显著进展,重新定义了传统上由过渡金属主导的氧化还原和酸碱反应的界限。在这些发展中,有机锑化学在很大程度上仍然被忽视。然而,最近的发现揭示了其多方面的反应性,跨越氧化还原过程和刘易斯酸度,通过所谓的pnic原键,将其定位为一个有前途的未开发的有机合成和催化平台。本教程综述深入探讨了有机锑反应性的基本原理,与其他主族元素进行了比较,同时突出了其独特的行为。我们研究了它在非共价相互作用,有机金属转化和氧化还原催化中的新兴作用,为其合成潜力提供了一个全面的视角。
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引用次数: 0
Construction and optimization of organic fluorophores in NIR-II fluorescence imaging NIR-II荧光成像中有机荧光团的构建与优化。
IF 39 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-10-15 DOI: 10.1039/D5CS00063G
Xiaozhen Li, Yanlong Yang, Ruohan Zhang and Wei Huang

Second near-infrared fluorescence imaging (NIR-II FLI, 1000–1700 nm) has recently emerged as a cutting-edge imaging modality, offering deeper tissue penetration and superior clarity compared to the visible (400–700 nm) and conventional NIR-I FLI (700–900 nm) due to the reduced photon scattering, weaker tissue autofluorescence, and lower self-absorption. However, the short absorption/emission wavelengths, low fluorescence brightness, and poor biocompatibility of fluorophores remain major obstacles for NIR-II FLI. In contrast to their inorganic counterparts, organic fluorophores (OFs), including cyanine dyes, D–A structured conjugated small molecules, and semiconducting polymers, exhibit tunable optical properties and high biocompatibility, thereby enabling NIR-II FLI for imaging anatomic structures, specific markers, and physiological activities. This review comprehensively summarizes recent progress in NIR-II FLI by highlighting an increasingly developing palette of biocompatible OFs with tunable NIR-II emission wavelengths. Various optimization strategies are emphasized to enhance the performance of OFs in terms of absorption and emission wavelengths, fluorescence quantum yields, and biocompatibility. Furthermore, the diverse applications of OFs in vascular imaging, lymphatic imaging, tumor imaging, organ imaging, imaging-guided therapy, and biosensors are summarized and introduced. Finally, current challenges and future prospects for the clinical translation of OFs are discussed.

第二种近红外荧光成像(NIR-II FLI, 1000-1700 nm)最近成为一种前沿成像方式,与可见光(400-700 nm)和传统的NIR-I FLI (700-900 nm)相比,由于光子散射减少,组织自身荧光较弱,自吸收较低,可提供更深的组织穿透和更高的清晰度。然而,荧光团吸收/发射波长短、荧光亮度低、生物相容性差仍然是NIR-II FLI的主要障碍。与无机荧光团相比,有机荧光团(OFs),包括菁菁染料、D-A结构共轭小分子和半导体聚合物,具有可调的光学特性和高生物相容性,从而使NIR-II FLI能够成像解剖结构、特定标记和生理活动。本文全面总结了NIR-II FLI的最新进展,重点介绍了日益发展的具有可调NIR-II发射波长的生物相容性OFs。在吸收和发射波长、荧光量子产率和生物相容性方面,强调了各种优化策略来提高OFs的性能。综述了OFs在血管成像、淋巴成像、肿瘤成像、器官成像、成像引导治疗和生物传感器等方面的应用。最后,对OFs临床翻译面临的挑战和未来前景进行了讨论。
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引用次数: 0
Supramolecular catalysis with emerging, functional organic macrocycles and cages 新兴的、功能性有机大环和笼的超分子催化。
IF 39 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-10-13 DOI: 10.1039/D5CS00835B
Rui Ning and Qi-Qiang Wang

The development of supramolecular chemistry has provided both conceptual inspiration and a diverse array of host scaffolds for boosting catalytic processes, thereby driving the ongoing advancement of supramolecular catalysis. Among these, covalent organic hosts are particularly notable for their structurally robust scaffolds, which not only confer stability but also allow for extensive synthetic modification and the tailored incorporation of diverse functional groups. Beyond traditional privileged macrocyclic hosts—such as cyclodextrins, crown ethers, calixarenes, and cucurbiturils, which have long served as foundational supramolecular vessels—emerging functional organic macrocycles and molecular cages represent novel host platforms and exemplify new design paradigms. By orchestrating multiple noncovalent interactions within well-defined, confined cavities, these architectures could offer new opportunities to promote catalytic innovation and expand the frontiers of supramolecular catalysis. In this review, we focus primarily on recent advances in the use of emerging functional organic macrocycles and cages for boosting catalytic processes. The discussion begins with covalent organic macrocycles, which are broadly classified into three categories: hydrogen-bonding-type macrocycles, cation-binding-type macrocycles, and π-receptor-type macrocycles. This is followed by a discussion of functional organic cage-based catalytic systems. Finally, we examine macrocyclic and cage architectures that incorporate active metal centers. Particular emphasis is placed on how these architectures leverage spatial confinement and synergistic interactions to facilitate chemical transformations, ultimately achieving high catalytic efficiency, enhanced selectivity, and novel reactivity profiles.

超分子化学的发展为促进催化过程提供了概念灵感和多种宿主支架,从而推动了超分子催化的不断发展。其中,共价有机宿主因其结构坚固的支架而特别值得注意,这不仅赋予了稳定性,而且还允许广泛的合成修饰和量身定制的不同功能基团的结合。除了传统的大环宿主——如环糊精、冠醚、杯芳烃和葫芦烷,这些长期以来一直是超分子血管的基础——新兴的功能性有机大环和分子笼代表了新的宿主平台,并举例说明了新的设计范式。通过在定义明确的密闭腔内协调多种非共价相互作用,这些结构可以为促进催化创新和扩大超分子催化的前沿提供新的机会。在这篇综述中,我们主要集中在使用新兴的功能性有机大环和笼来促进催化过程的最新进展。讨论从共价有机大环开始,大致分为三大类:氢键型大环、阳离子结合型大环和π受体型大环。接下来是功能性有机笼基催化体系的讨论。最后,我们研究了包含活性金属中心的大环和笼结构。特别强调的是这些结构如何利用空间限制和协同作用来促进化学转化,最终实现高催化效率,增强选择性和新的反应性。
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引用次数: 0
Bilayer nanographenes: structure, properties, and synthetic challenges 双层纳米石墨烯:结构、性质和合成挑战
IF 39 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-10-10 DOI: 10.1039/D4CS00804A
Patricia Izquierdo-García, Juan Lión-Villar, Jesús M. Fernández-García and Nazario Martín

Molecular nanographenes (NGs)—graphene analogues at the nanoscale—exhibit atomically defined monodispersity in both size and shape. This synthetic precision enables fine control over their properties. Among the emerging strategies to modulate their electronic and optical properties, vertical π–π stacking between the graphitized layers has recently gained attention as a powerful design tool. In this review, we explore the synthesis, structural features, and functional implications of bilayer and multilayer nanographenes, with a particular focus on the bilayer effect—a through-space electronic communication arising from the interlayer overlap. We discuss how the degree of π–π overlap, rather than solely π-extension, governs key properties such as HOMO–LUMO gap, redox behavior, photoluminescence shifts and quatum yields, and chiroptical responses. Molecular architectures incorporating helicenes, spirocycles, or non-benzenoid motifs enable the deviation from planarity, ususally presented in nanographenes, allowing the precise synthesis of covalently π–π stacked topologies that amplify this effect. Furthermore, this concept also extends to other NGs such as multilayers, supramolecular assemblies, and donor–acceptor complexes, revealing the versatility of the bilayer approach. The first synthetic approaches to access enantiomerically pure bilayer NGs are also disclosed, opening new avenues for their use in advanced technological applications. Overall, the bilayer effect emerges as a novel structural parameter for tuning the properties and function of π-conjugated carbon-based materials, opening new frontiers in molecular chiral optoelectronics, spintronics, and quantum nanoscience.

分子纳米石墨烯(NGs)——纳米尺度上的石墨烯类似物——在大小和形状上都表现出原子定义的单分散性。这种合成精度可以对其性能进行精细控制。在调制其电子和光学特性的新兴策略中,石墨化层之间的垂直π -π堆叠作为一种强大的设计工具最近受到了关注。在这篇综述中,我们探讨了双层和多层纳米石墨烯的合成、结构特征和功能意义,特别关注双层效应——一种由层间重叠引起的穿越空间的电子通信。我们讨论了π -π重叠的程度,而不仅仅是π-扩展,是如何决定HOMO-LUMO间隙、氧化还原行为、光致发光位移和量子产率以及热响应等关键性质的。包含螺旋烯、螺旋环或非苯基序的分子结构使得纳米石墨烯通常呈现的平面性偏离,允许精确合成共价π -π堆叠拓扑结构,从而放大这种效应。此外,这一概念也延伸到其他纳米粒子,如多层、超分子组装和供体-受体复合物,揭示了双层方法的多功能性。还公开了获得对映体纯双层纳米粒子的第一种合成方法,为其在先进技术应用中的应用开辟了新的途径。综上所述,双分子层效应作为调节π共轭碳基材料性能和功能的一种新的结构参数,在分子手性光电子学、自旋电子学和量子纳米科学领域开辟了新的领域。
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引用次数: 0
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