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Tune in for maximum reactivity 调到最大的反应
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-29 DOI: 10.1038/s41570-025-00755-x
Johannes Kreutzer
A puzzling mismatch between a molecule's light absorptivity and its photochemical reactivity can now be explained by considering the microenvironment around the absorbing molecules and the effect this has on quantum yield, which becomes wavelength dependent.
分子的光吸收率与其光化学反应性之间令人困惑的不匹配现在可以通过考虑吸收分子周围的微环境及其对量子产率的影响来解释,量子产率取决于波长。
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引用次数: 0
Inclusive chemistry begins with you 包容的化学反应始于你
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-28 DOI: 10.1038/s41570-025-00753-z
April A. Hill
Digital content can hinder the accessibility of chemistry to people with disabilities. Fortunately, accessible digital content can be created easily and without cost. Learning basic digital accessibility skills can help to make chemistry more welcoming for all.
数字内容可能会阻碍残疾人获取化学知识。幸运的是,易于访问的数字内容可以很容易地创建,而且没有成本。学习基本的数字无障碍技能有助于使化学更受所有人的欢迎。
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引用次数: 0
Elemental mass spectrometry imaging of biomolecules using metal-conjugated probes 使用金属共轭探针的生物分子元素质谱成像。
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-20 DOI: 10.1038/s41570-025-00749-9
Anthony Thai, Thomas E. Lockwood, Ioannis Kohilas, Rosemary J. Bergin, Andrew M. McDonagh, David P. Bishop
In situ imaging of proteins, RNA, immune cells and other biomolecules is necessary to determine their function, interactions and roles in disease pathology. Increasingly, this is achieved via metal-conjugated probes in conjunction with elemental mass spectrometry imaging (MSI). This targeted technique is capable of simultaneously imaging up to 40 analytes, in comparison to the traditional bioimaging techniques that use fluorescent or chromogenic reagents that are typically restricted to less than four analytes without complex sample handling and analysis workflows. These analyses, however, are not straightforward, with a number of factors that require optimization. They require the use of probes specific to the target biomolecules, which are conjugated with analytes detectable by elemental MSI. Here, we summarize the MSI technology, the types of biological probes used for identification, and the forms of metal analytes used. We provide examples of their application including understanding cancer cell heterogeneity to direct clinical trials, which may impact clinical diagnostics and personalized medicine. We conclude with future perspectives on the potential of the technique and what is required to meet it. Elemental mass spectrometry imaging of biomolecules provides detailed knowledge of their abundance and location within tissue samples. This Review highlights the analytical instrumentation and strategies used to bring this technique from a research tool to clinical studies.
蛋白质、RNA、免疫细胞和其他生物分子的原位成像对于确定它们在疾病病理中的功能、相互作用和作用是必要的。越来越多地,这是通过金属共轭探针结合元素质谱成像(MSI)来实现的。与传统的生物成像技术相比,这种靶向技术能够同时成像多达40种分析物,而传统的生物成像技术使用荧光或显色试剂,通常限于少于4种分析物,没有复杂的样品处理和分析工作流程。然而,这些分析并不简单,有许多因素需要优化。它们需要使用特定于目标生物分子的探针,这些探针与元素MSI可检测的分析物偶联。在这里,我们总结了MSI技术,用于鉴定的生物探针类型,以及所使用的金属分析物的形式。我们提供了它们应用的例子,包括了解癌细胞异质性到直接临床试验,这可能会影响临床诊断和个性化医疗。最后,我们对该技术的潜力和满足它所需要的未来前景进行了展望。
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引用次数: 0
Steering towards safe self-driving laboratories 转向安全的自动驾驶实验室。
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-18 DOI: 10.1038/s41570-025-00747-x
Shi Xuan Leong, Caleb E. Griesbach, Rui Zhang, Kourosh Darvish, Yuchi Zhao, Abhijoy Mandal, Yunheng Zou, Han Hao, Varinia Bernales, Alán Aspuru-Guzik
The past decade has witnessed remarkable advancements in autonomous systems, such as automobiles that are evolving from traditional vehicles to ones capable of navigating complex environments without human intervention. Similarly, the rise of self-driving laboratories (SDLs), which leverage robotics and artificial intelligence to accelerate discovery, is driving a paradigm shift in scientific research. As SDLs evolve to expand the scope of chemical processes that can be performed, it is essential to bring safety to the forefront to ensure that the necessary safeguards are in place to mitigate against potential accidents that range from near-misses to catastrophic failures. This Perspective examines the development trajectory of SDLs, juxtaposing their development with those of other autonomous technologies, with a particular focus on safety. We explore current safety status and concerns, identify opportunities for innovation to shape this rapidly evolving landscape, and reflect on the actions the SDL community can take moving forward. Self-driving laboratories promise accelerated discovery. As the scope of chemical processes and level of autonomy in these laboratories expand, a comprehensive safety framework is essential. We discuss here the safety development trajectory of SDLs, identifying opportunities for innovation to shape this rapidly evolving landscape.
在过去的十年里,自动驾驶系统取得了显著的进步,比如汽车正在从传统的汽车进化为能够在没有人为干预的情况下在复杂环境中行驶的汽车。同样,利用机器人和人工智能加速发现的自动驾驶实验室(sdl)的兴起,正在推动科学研究的范式转变。随着sdl的发展,可以执行的化学过程的范围不断扩大,必须将安全放在首位,以确保必要的保障措施到位,以减轻潜在的事故,从险些发生的事故到灾难性的故障。本文考察了sdl的发展轨迹,并将其与其他自动驾驶技术的发展进行了对比,并特别关注了安全性。我们探讨了当前的安全状况和问题,确定了创新的机会,以塑造这一快速发展的景观,并反思了SDL社区可以采取的行动。
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引用次数: 0
Tipping the isotopic scales 改变同位素的尺度。
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-18 DOI: 10.1038/s41570-025-00752-0
Sibo Chetry, Jing Liu, Mahnaz Bakhtian
Tip-enhanced Raman spectroscopy connects isotopic mass and confinement geometry to vibrational shifts in H2 and D2, highlighting quantum behaviour in simple molecules and enabling atomic-scale understanding of reactivity, catalysis, and surface interactions.
尖端增强拉曼光谱将同位素质量和约束几何与H2和D2中的振动位移联系起来,突出了简单分子中的量子行为,并使原子尺度上的反应性、催化和表面相互作用得以理解。
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引用次数: 0
Real AI advances require collaboration 真正的人工智能进步需要合作
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-14 DOI: 10.1038/s41570-025-00750-2
N. M. Anoop Krishnan, Kevin Maik Jablonka
Standardized tasks and data sets have enabled machine learning experts to contribute to chemistry. However, current practices tend to reward incremental improvements in benchmark performance that do not necessarily translate into meaningful advances. We propose a framework for collaboration between artificial intelligence and domain experts to genuinely accelerate discovery.
标准化的任务和数据集使机器学习专家能够为化学做出贡献。然而,当前的实践倾向于奖励基准性能的增量改进,而不一定转化为有意义的进步。我们提出了一个人工智能和领域专家之间协作的框架,以真正加速发现。
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引用次数: 0
Transuranium organometallic chemistry 超铀有机金属化学
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-13 DOI: 10.1038/s41570-025-00732-4
Benjamin L. L. Réant, Cameron N. Deakin, Ross E. MacKenzie, Conrad A. P. Goodwin
Coordination chemistry is a tool to reveal the hidden nature of elements through controlled manipulation of their environment, and the benefits that this understanding has brought society are numerous. For a chemist, the actinide series represents an intriguing frontier wherein conventional chemical intuition yields to relativistic effects and atypical technical challenges influence the pace of progress. Much of the chemical understanding of transuranium elements was developed during and shortly after the Manhattan Project and was borne out of practical needs. Although theoretical interest in their fundamental bonding and behaviour has always existed, synthesis-led exploration was often not possible. Synthetic, analytical and computational advancements in the twenty-first century have changed this, and contemporary synthetic transuranium coordination chemistry has begun to reveal that their properties are more nuanced than previously appreciated. In this Review, we discuss the discovery of transuranium elements, their history and the logistical demands inherent to chemical advancement in the area, and present key progress in transuranium organometallic and selected metal–organic chemistry, with a focus on how the field has begun to mature. Advances in laboratory-scale characterization have spurred a revival in transuranium organometallic chemistry. This Review discusses the field up to early 2025, framed alongside fundamental properties, past landmarks and future challenges. These exotic species are contrasted against lanthanide and earlier actinide examples.
配位化学是一种通过对环境的控制来揭示元素隐藏性质的工具,这种理解给社会带来了许多好处。对于化学家来说,锕系元素系列代表了一个有趣的前沿领域,传统的化学直觉屈服于相对论效应,非典型的技术挑战影响了进步的步伐。对超铀元素的许多化学认识是在曼哈顿计划期间和之后不久发展起来的,并且是出于实际需要。虽然对它们的基本结合和行为的理论兴趣一直存在,但以合成为主导的探索往往是不可能的。21世纪合成、分析和计算的进步改变了这一点,当代合成超铀配位化学已经开始揭示它们的性质比以前所认识到的更微妙。在这篇综述中,我们讨论了超铀元素的发现、它们的历史和该地区化学进步所固有的后勤需求,并介绍了超铀有机金属化学和精选金属有机化学的关键进展,重点是该领域如何开始成熟。
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引用次数: 0
A life of adventures into the foundations of chemistry 探索化学基础的冒险生活
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-06 DOI: 10.1038/s41570-025-00745-z
Helmut Schwarz, Stephanie Greed
Ahead of his 82nd birthday, Helmut Schwarz, recent recipient of the Wolf Prize in Chemistry and Professor of Chemistry at Technische Universität Berlin, looks back on his career in science.
最近获得沃尔夫化学奖(Wolf Prize in Chemistry)的赫尔穆特•施瓦茨(Helmut Schwarz)是柏林理工大学(Technische Universität Berlin)的化学教授,在他82岁生日前夕,他回顾了自己的科学生涯。
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引用次数: 0
Caging carbon for chemistry 化学用的碳笼
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-08-01 DOI: 10.1038/s41570-025-00746-y
Hyuenwoo Yang, Seoyeon Kim, Pablo Fernandez
A new study highlights how interfacial design and retaining intermediate species can unlock a new performance window in electrocatalysis — transforming a reactive gas into a tethered partner for selective carbon–carbon coupling reactions.
一项新的研究强调了界面设计和保留中间物质如何打开电催化的新性能窗口——将活性气体转化为选择性碳-碳偶联反应的拴在一起的伙伴。
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引用次数: 0
Protein–ligand data at scale to support machine learning 大规模的蛋白质配体数据支持机器学习。
IF 51.7 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2025-07-23 DOI: 10.1038/s41570-025-00737-z
Aled M. Edwards, Dafydd R. Owen, The Structural Genomics Consortium Target 2035 Working Group
Target 2035 is a global initiative that aims to develop a potent and selective pharmacological modulator, such as a chemical probe, for every human protein by 2035. Here, we describe the Target 2035 roadmap to develop computational methods to improve small-molecule hit discovery, which is a key bottleneck in the discovery of chemical probes. Large, publicly available datasets of high-quality protein–small-molecule binding data will be created using affinity-selection mass spectrometry and DNA-encoded chemical library screening. Positive and negative data will be made openly available, and the machine learning community will be challenged to use these data to build models and predict new, diverse small-molecule binders. Iterative cycles of prediction and testing will lead to improved models and more successful predictions. By 2030, Target 2035 will have identified experimentally verified hits for thousands of human proteins and advanced the development of open-access algorithms capable of predicting hits for proteins for which there are not yet any experimental data. Target 2035 aims to develop a potent and selective pharmacological modulator for every human protein by 2035 with the results made publicly available. This Roadmap article sets out how that will be achieved.
“目标2035”是一项全球倡议,旨在到2035年为每种人类蛋白质开发一种有效的、选择性的药理调节剂,如化学探针。在这里,我们描述了目标2035路线图,以开发计算方法来提高小分子命中发现,这是发现化学探针的关键瓶颈。使用亲和选择质谱法和dna编码化学文库筛选,将创建大型、公开的高质量蛋白质-小分子结合数据集。正面和负面数据将公开提供,机器学习社区将面临挑战,使用这些数据建立模型并预测新的、多样化的小分子粘合剂。预测和测试的迭代循环将导致改进的模型和更成功的预测。到2030年,“2035目标”将确定数千种经过实验验证的人类蛋白质,并推进开放获取算法的发展,这些算法能够预测尚未获得任何实验数据的蛋白质的命中。
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Nature reviews. Chemistry
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