ACS Central Science最新文献_第8页

Late-Stage Heteroarene Alkylation via Minisci Reaction with Gaseous Alkanes Enabled by Hydrogen Atom Transfer in Flow. 流动中氢原子转移使杂芳烃与气态烷烃的微反应后期烷基化。

IF 12.7 1区化学

ACS Central Science Pub Date : 2025-05-13 eCollection Date: 2025-06-25 DOI: 10.1021/acscentsci.5c00468

Prakash Chandra Tiwari, Antonio Pulcinella, Emil Hodžić, Timothy Noël

引用次数: 0

Pollution Confuses Pollinators. Can Scientists Retrain Them? 污染迷惑了传粉者。科学家能重新训练它们吗？

IF 12.7 1区化学

ACS Central Science Pub Date : 2025-05-12 eCollection Date: 2025-05-28 DOI: 10.1021/acscentsci.5c00779

Marta Zaraska

引用次数: 0

Pollution Confuses Pollinators. Can Scientists Retrain Them? 污染迷惑了传粉者。科学家能重新训练它们吗？

IF 12.7 1区化学

ACS Central Science Pub Date : 2025-05-12 DOI: 10.1021/acscentsci.5c0077910.1021/acscentsci.5c00779

Marta Zaraska,

引用次数: 0

Rh(I)-Catalyzed Modular Synthesis of Axially Chiral Alkylidene Azacycloalkanes. Rh(I)催化轴手性氮杂环烷烷的模块化合成。

IF 12.7 1区化学

ACS Central Science Pub Date : 2025-05-11 eCollection Date: 2025-06-25 DOI: 10.1021/acscentsci.5c00232

Yang Chen, Jiayan Chen, Shifa Zhu

{"title":"Rh(I)-Catalyzed Modular Synthesis of Axially Chiral Alkylidene Azacycloalkanes.","authors":"Yang Chen, Jiayan Chen, Shifa Zhu","doi":"10.1021/acscentsci.5c00232","DOIUrl":"10.1021/acscentsci.5c00232","url":null,"abstract":"The structural prevalence of chiral N-bridged cyclic scaffolds in pharmacologically relevant substances originates from their multifaceted biofunctional capacities, particularly in privileged natural product architectures. Despite advances in central chirality, the precise and expeditious construction of axially chiral N-bridged cyclic scaffolds with impeccably full enantiocontrol and highly structural diversity remains largely underexploited due to the lack of efficient synthetic methods. Here, we disclose an unprecedented Rh-(I)/diene-catalyzed carbene coupling reaction of arylboronic acid with β-hydroxy α-diazocarbonyl compounds through a remotely controlled desymmetrization strategy, furnishing a diverse array of three-dimensional nonatropisomeric axially chiral alkylidene N-bridged [3.2.1] and [3.3.1] ring systems. This straightforward methodology operates without redox requirements, demonstrating extensive applicability across diverse substrates (>50 examples) while maintaining exceptional control of chemo- and enantioselectivity (up to 97% yield, mostly 95-99% ee). The synthetic utility of these compounds was further validated via sequential elaboration processes, allowing for modular assembly of novel N-bridged bicyclic systems with configurationally defined axial chirality.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"11 6","pages":"899-909"},"PeriodicalIF":12.7,"publicationDate":"2025-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12203264/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144525297","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A Quantum Chemical Method for Dissecting London Dispersion Energy into Atomic Building Blocks. 将伦敦色散能量分解成原子积木的量子化学方法。

IF 12.7 1区化学

ACS Central Science Pub Date : 2025-05-08 eCollection Date: 2025-06-25 DOI: 10.1021/acscentsci.5c00356

Gianluca Regni, Lorenzo Baldinelli, Giovanni Bistoni

{"title":"A Quantum Chemical Method for Dissecting London Dispersion Energy into Atomic Building Blocks.","authors":"Gianluca Regni, Lorenzo Baldinelli, Giovanni Bistoni","doi":"10.1021/acscentsci.5c00356","DOIUrl":"10.1021/acscentsci.5c00356","url":null,"abstract":"London dispersion (LD) forces are ubiquitous in chemistry and biology, governing processes such as binding of drugs to protein targets, the formation and stability of reaction intermediates, and the selectivity of enantioselective transformations. Developing an experimental or quantum chemical method to quantify atomic contributions to LD energy could open up new pathways for controlling reaction selectivity and guiding molecular design. Herein, we initially introduce Atomic Decomposition of London Dispersion energy (ADLD), a computational method that provides atomic-level resolution in quantifying LD energy at the \"gold standard\" level of quantum chemistry. Through a series of case studies, we reveal that LD is highly sensitive to variations in the electronic structure, including spin state, charge, and valence bond resonance effectskey factors often overlooked. Furthermore, we uncover the fundamental origin of the recently proposed gravitational-like relationship describing the distance dependence of LD energy in molecular systems. In doing so, we reconcile these recent findings with Fritz London's original formulation in 1930, offering a unified perspective on the fundamental nature of LD forces.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"11 6","pages":"890-898"},"PeriodicalIF":12.7,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12203434/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144525283","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Can New Chemistry Make EVs That Charge in 5 min or Less? 新化学技术能让电动汽车在5分钟或更短时间内充电吗？

IF 12.7 1区化学

ACS Central Science Pub Date : 2025-05-06 DOI: 10.1021/acscentsci.5c0075310.1021/acscentsci.5c00753

Sam Lemonick,

引用次数: 0

Investigation of Proteome-Tetrazine Reactivity for a Highly Selective Tetrazine Ligation in Live Cells. 活细胞中高选择性四氮连接的蛋白质组-四氮反应性研究。

IF 12.7 1区化学

ACS Central Science Pub Date : 2025-05-06 eCollection Date: 2025-06-25 DOI: 10.1021/acscentsci.5c00525

Junyoung Park, Juhee Hahm, Junhyeong Yim, Hyelim Lee, Hwan Min Hwang, Soyeon Lee, Ju-Young Park, Arun Velladurai, Jagadeesh Kumar Gangasani, Hana Cho, Hankum Park, Minju Lee, Jeehee Lee, Hyunuk Eom, Woon Ju Song, Sanghee Lee, Eunha Kim, Jongmin Park

{"title":"Investigation of Proteome-Tetrazine Reactivity for a Highly Selective Tetrazine Ligation in Live Cells.","authors":"Junyoung Park, Juhee Hahm, Junhyeong Yim, Hyelim Lee, Hwan Min Hwang, Soyeon Lee, Ju-Young Park, Arun Velladurai, Jagadeesh Kumar Gangasani, Hana Cho, Hankum Park, Minju Lee, Jeehee Lee, Hyunuk Eom, Woon Ju Song, Sanghee Lee, Eunha Kim, Jongmin Park","doi":"10.1021/acscentsci.5c00525","DOIUrl":"10.1021/acscentsci.5c00525","url":null,"abstract":"Tetrazine has been widely used in bio-orthogonal click chemistry for diverse biological applications due to its short reaction time and excellent bio-orthogonality. For efficient click reaction, the stability of tetrazine in physiological conditions is one of the key issues in biological applications. However, the reactions between tetrazine and biomolecules have barely been studied. Here, we investigated nonspecific proteome labeling by tetrazine derivatives. Systematic investigation of proteome reactivities of 23 tetrazine derivatives showed their structure-dependent proteome reactivities. We further investigated the relationship between the proteome reactivity of tetrazine derivatives and selectivity of in situ tetrazine-trans-cyclooctene (Tz-TCO) click chemistry-mediated fluorescent labeling of BTK protein in live cells. Intriguingly, a tetrazine derivative SiR-Tz20 with minimal proteome reactivity showed a highly selective BTK labeling efficiency in live cells and in an ex vivo mouse model. Our results demonstrate that the proteome reactivity of tetrazine derivatives is critical for their selectivity in click reaction toward accurate fluorescent protein imaging in live cells.","PeriodicalId":10,"journal":{"name":"ACS Central Science","volume":"11 6","pages":"878-889"},"PeriodicalIF":12.7,"publicationDate":"2025-05-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12203430/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144525289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Characterization of Three Intermediates in an Unusual Copper-Dependent Enzyme. 一种不寻常的铜依赖酶的三个中间体的表征。

IF 12.7 1区化学

ACS Central Science Pub Date : 2025-05-06 eCollection Date: 2025-05-28 DOI: 10.1021/acscentsci.5c00732

Marcel Swart, Isaac Garcia-Bosch

引用次数: 0

Can New Chemistry Make EVs That Charge in 5 min or Less? 新化学技术能让电动汽车在5分钟或更短时间内充电吗？

IF 12.7 1区化学

ACS Central Science Pub Date : 2025-05-06 eCollection Date: 2025-05-28 DOI: 10.1021/acscentsci.5c00753

Sam Lemonick

引用次数: 0

Characterization of Three Intermediates in an Unusual Copper-Dependent Enzyme 一种不寻常的铜依赖酶的三个中间体的表征