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相关概念视频

Elements and Compounds01:27

Elements and Compounds

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Pure substances consist of only one type of matter. A pure substance can be an element or a compound. An element consists of only one type of atom, while a compound consists of two or more types of atoms held together by a chemical bond.
Elements
Elements are classified as atomic or molecular based on the nature of their basic units. They are unique forms of matter with specific chemical and physical properties that cannot break down into smaller substances by ordinary chemical reactions. There...
104.5K
Language01:16

Language

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Language is a unique communication system that uses words and systematic rules to organize and transmit information. Unlike other forms of communication, which may involve postures, movements, odors, or vocalizations, language relies on symbols and grammar. This makes human communication distinct from that of other species, who also communicate but do not use language in the same way humans do.
Corballis and Suddendorf (2007) and Tomasello and Rakoczy (2003) highlight the role of language in...
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Periodic Classification of the Elements04:00

Periodic Classification of the Elements

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The periodic table arranges atoms based on increasing atomic number so that elements with the same chemical properties recur periodically. When their electron configurations are added to the table, a periodic recurrence of similar electron configurations in the outer shells of these elements is observed. Because they are in the outer shells of an atom, valence electrons play the most important role in chemical reactions. The outer electrons have the highest energy of the electrons in an atom...
59.0K
Classification of Elements and Compounds02:54

Classification of Elements and Compounds

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Pure substances consist of only one type of matter. A pure substance can be an element or a compound. An element consists of only one type of atom, while a compound consists of two or more types of atoms held together by a chemical bond. Elements are classified as atomic or molecular based on the nature of their basic units.
Compounds are pure substances composed of two or more elements in fixed, definite proportions. Compounds are classified as ionic or molecular (covalent) based on the bonds...
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Components of Language01:24

Components of Language

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Language, whether spoken, signed, or written, consists of specific components: lexicon and grammar. The lexicon is the vocabulary of a language, comprising its words. Grammar is the set of rules used to convey meaning through the lexicon. For example, English grammar adds “-ed” to most verbs to indicate past tense. Words are formed by combining phonemes, which are the basic sound units of a language. Different languages have different sets of phonemes (e.g., “ah” vs.
815
Language Development01:22

Language Development

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Children master language quickly and with relative ease, supported by both biological predisposition and reinforcement. B. F. Skinner (1957) proposed that language is learned through reinforcement, while Noam Chomsky (1965) argued that language acquisition mechanisms are biologically determined.
The critical period for language acquisition suggests that the ability to acquire language is at its peak early in life. As people age, this proficiency decreases. Language development begins very...
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增强大型语言模型用于自动发现F元素提取剂.

Baosen Zhang1, Thomas J Summers2, Logan J Augustine2

  • 1Department of Chemistry & Biochemistry, Fordham University, The Bronx, New York 10458, United States.

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|January 28, 2026
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概括

我们开发了一个人工智能工作流程来设计用于分离f元素的选择性连接体,加速发现. 这种方法成功地发现了具有高Am(III) / Eu(III) 选择性的新配体,性能优于当前的基准标准.

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科学领域:

  • 核化学 核化学 核化学
  • 计算化学的计算化学
  • 材料科学 材料科学 材料科学

背景情况:

  • 对于先进的技术来说,有效地分离f元素 (兰化物和动化物) 是至关重要的,但由于它们的化学相似性而受到阻碍.
  • 开发这些元素的选择性溶剂提取试剂是一个缓慢而具有挑战性的过程.

研究的目的:

  • 介绍一个支持人工智能的工作流程,用于对f元素的选择性提取剂配体的快速设计和计算选.
  • 加速发现具有增强选择性的新型配体,以应对Am(III) / Eu(III) 等具有挑战性的分离.

主要方法:

  • 使用大型语言模型 (SAFE-MolGen) 进行导向分子设计和初步连接物排名.
  • 采用受监督的机器学习模型,在实验数据上进行训练,以在现实的条件下预测连接体性能.
  • 集成了一条管道,用于构建3D金属连接体复合体,并执行量子力学自由能量计算以评估选择性.

主要成果:

  • 演示了Am (III) /Eu (III) 分离的工作流程,这是核废物管理中的一个关键挑战.
  • 与基准提取剂CyMe4BTBP相比,确定了几种新设计的配体,预计它们具有更高的Am(III) / Eu(III) 选择性.
  • 在这个数据稀疏领域成功加速了分子空间的计算探索.

结论:

  • 支持人工智能的工作流显著加快了新兰化物和动化物提取剂的生成和评估.
  • 这种方法为设计选择性连接体提供了总体策略,克服了传统方法的局限性.
  • 开发的配体有望提高各种技术应用中的f元素分离的效率.