IF 23.5 1区化学

Chem Pub Date : 2026-03-27 DOI: 10.1016/j.chempr.2026.102987

Yanqiu Jiang, Louis Gadina, Juan Carlos Ahumada, Yankai Jia, Wai-Shing Wong, Jongyeon Kim, Bartosz A. Grzybowski

引用次数: 0

Spin-dependent isotopic fractionation of L-methionine l -蛋氨酸的自旋依赖同位素分馏

IF 23.5 1区化学

Chem Pub Date : 2026-03-26 DOI: 10.1016/j.chempr.2026.102993

Ofek Vardi, Nir Yuran, Ella Manuela Jakob, Gili Ben-Nissan, Shira Yochelis, Michal Sharon, Yossi Paltiel

引用次数: 0

Skeletal editing by iron-catalyzed carbene insertion of trichloromethanes 由铁催化的三氯甲烷插入碳的骨骼编辑

IF 23.5 1区化学

Chem Pub Date : 2026-03-26 DOI: 10.1016/j.chempr.2026.102968

Bethany M. DeMuynck, Ethan E. Hyland, Hojin Kim, Victoria L. Menches, Anna M.M. Vernier, Zhang Wang, David E. Olson, Mark D. Levin, David A. Nagib

{"title":"Skeletal editing by iron-catalyzed carbene insertion of trichloromethanes","authors":"Bethany M. DeMuynck, Ethan E. Hyland, Hojin Kim, Victoria L. Menches, Anna M.M. Vernier, Zhang Wang, David E. Olson, Mark D. Levin, David A. Nagib","doi":"10.1016/j.chempr.2026.102968","DOIUrl":"https://doi.org/10.1016/j.chempr.2026.102968","url":null,"abstract":"Direct interchange between five- and six-membered nitrogen heterocycles by skeletal editing is valuable in drug discovery. Specifically, inserting a carbon atom into oxidatively prone indole affords metabolically stable quinoline. However, tailored reagents for this transformation are limited by safety, availability, and generality. Here, we introduce a C-insertion method that employs stable, commercially abundant trichloromethanes (as chlorocarbene precursors) and simple iron catalysts (FeCl2) to directly transform indoles to diverse quinolines. This highly practical method allows rare access to direct C-H and C-D insertion (essential analogs in medicinal chemistry) and many other pharmacophores. Mechanistic studies show key differences in rate, reactivity, and selectivity of this iron carbene versus metal-free carbenes. In addition, the skeletal editing of several drug-like molecules is presented, including a one-step synthesis of a quinoline analog of the psychedelic indole lysergic acid diethylamide (LSD). This analog exhibits lower potency and efficacy for activating 5-HT2A receptors, suggesting therapeutic potential with reduced hallucinogenic properties.","PeriodicalId":268,"journal":{"name":"Chem","volume":"199 1","pages":""},"PeriodicalIF":23.5,"publicationDate":"2026-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147519117","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Conventional versus three-state helicity in chiral copolymers: Reversal dynamics and programmable chiroptical switches 手性共聚物中的常规与三态螺旋：反转动力学和可编程chiroptic开关

IF 23.5 1区化学

Chem Pub Date : 2026-03-26 DOI: 10.1016/j.chempr.2026.102988

Xiaoxiao Cheng, Zeyu Tang, Zixiang He, Zhenyang Zhou, Li-Li Han, Zhan-Wei Li, Wei Zhang

引用次数: 0

A motif-based deep learning tool for the identification of unusual NADH-dependent imine reductases 一个基于基序的深度学习工具，用于识别不寻常的nadh依赖性亚胺还原酶

IF 23.5 1区化学

Chem Pub Date : 2026-03-26 DOI: 10.1016/j.chempr.2026.102956

Xin-Yuan Shen, Yu-Xuan Wu, Zhi-Feng Ma, Xiao Yi, Min Shi, Zhen-Yu Zhu, Tian Jin, Xiao-Yu Hu, Zi-Yi Huang, Yun-Fei Gao, Qi Chen, Hui-Qun Yu, Jian-He Xu, Gui-Sheng Fan, Gao-Wei Zheng

{"title":"A motif-based deep learning tool for the identification of unusual NADH-dependent imine reductases","authors":"Xin-Yuan Shen, Yu-Xuan Wu, Zhi-Feng Ma, Xiao Yi, Min Shi, Zhen-Yu Zhu, Tian Jin, Xiao-Yu Hu, Zi-Yi Huang, Yun-Fei Gao, Qi Chen, Hui-Qun Yu, Jian-He Xu, Gui-Sheng Fan, Gao-Wei Zheng","doi":"10.1016/j.chempr.2026.102956","DOIUrl":"https://doi.org/10.1016/j.chempr.2026.102956","url":null,"abstract":"Conventional retrieval methods through sequence alignment algorithms often struggle to identify potential biocatalysts without a specific target sequence. Here, we report the discovery of 95 putative nicotinamide adenine dinucleotide (NADH)-dependent native imine reductases (IREDs), all previously unreported, using a deep learning approach leveraging a conserved cofactor-binding motif. The Protein Motif to Search (PM2S) method integrates rule-based approaches, dynamic programming, machine learning, protein language models (PLMs), and dense vector sparsification, enabling a more comprehensive retrieval based solely on motifs rather than sequences. Activity and biotransformation analyses confirmed that most tested enzymes preferred NADH as the cofactor when acting on imines and carbonyl compounds. Structural and mutagenesis analysis of enzyme-cofactor complexes provided insights into the molecular mechanism and binding conformation underpinning the preference for NADH. This study introduces a motif-based bioinformatics strategy for enzyme discovery, expands the repertoire of IREDs for amine synthesis, and broadens their application range in biosynthesis and chemical synthesis.","PeriodicalId":268,"journal":{"name":"Chem","volume":"1 1","pages":""},"PeriodicalIF":23.5,"publicationDate":"2026-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147524525","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Out-of-equilibrium sensing with a chemically fueled molecular machine 用化学燃料分子机器进行非平衡传感

IF 23.5 1区化学

Chem Pub Date : 2026-03-26 DOI: 10.1016/j.chempr.2026.102960

Maria-Carmen Temian, Benjamin M.W. Roberts, Stefan Borsley, Flavio della Sala, Zoe Ashbridge, David A. Leigh

引用次数: 0

Synthetic amino acids for programming adaptive response in pyrazolate peptide frameworks 吡唑酸肽框架中编程适应性反应的合成氨基酸

IF 23.5 1区化学

Chem Pub Date : 2026-03-26 DOI: 10.1016/j.chempr.2026.102992

Víctor Carratalá, Alechania Misturini, Moussa D. Faye Diouf, Rebecca Vismara, Alejandro Lamas, Mauro Gemmi, Natalia M. Padial, Carlos Martí-Gastaldo

{"title":"Synthetic amino acids for programming adaptive response in pyrazolate peptide frameworks","authors":"Víctor Carratalá, Alechania Misturini, Moussa D. Faye Diouf, Rebecca Vismara, Alejandro Lamas, Mauro Gemmi, Natalia M. Padial, Carlos Martí-Gastaldo","doi":"10.1016/j.chempr.2026.102992","DOIUrl":"https://doi.org/10.1016/j.chempr.2026.102992","url":null,"abstract":"Achieving chemical stability and conformational flexibility within adaptive porous materials built from peptide bonds and amino acid chemistry remains a significant challenge in framework design. Here, we introduce an alternative synthetic platform that employs bispyrazolate amino acid dipeptides, enabling the integration of short, conformationally flexible peptides into pyrazolate frameworks built from rigid rod-type [Zn(μ2-Pz)2] secondary building units. The nature of the amino acid side chain dictates both the dimensionality and the adaptive response of the resulting frameworks, allowing the controlled assembly of either three-dimensional (MUV-A) or layered two-dimensional (MUV-F and MUV-Y) architectures. Solvent-induced transformations reveal a continuum of dynamic responses, ranging from highly flexible reopening in MUV-A to solvent-selective switching in MUV-Y, governed by the interplay between backbone conformational freedom and host-guest interactions. This work establishes a general synthetic platform to program the dynamic behavior of chemically robust peptide-based frameworks, bridging reticular design with programmable adaptive porosity.","PeriodicalId":268,"journal":{"name":"Chem","volume":"6 1","pages":""},"PeriodicalIF":23.5,"publicationDate":"2026-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147507694","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Fabrication of corrugated halogen 2D metal-organic frameworks by means of F···Au coordination 利用F···Au配位制备波纹卤素二维金属有机骨架

IF 23.5 1区化学

Chem Pub Date : 2026-03-26 DOI: 10.1016/j.chempr.2026.102967

Jorge Labella, Adriana E. Candia, Jonas Björk, Tomás Torres, Jorge Lobo-Checa

{"title":"Fabrication of corrugated halogen 2D metal-organic frameworks by means of F···Au coordination","authors":"Jorge Labella, Adriana E. Candia, Jonas Björk, Tomás Torres, Jorge Lobo-Checa","doi":"10.1016/j.chempr.2026.102967","DOIUrl":"https://doi.org/10.1016/j.chempr.2026.102967","url":null,"abstract":"Halogens have generally been discarded in the design of two-dimensional metal-organic frameworks (2D MOFs) due to their weak coordination ability. Here, this gap is closed by depositing bowl-shaped molecules on Au(111) under ultra-high-vacuum conditions to produce a monodomain, extended, and periodic halogen 2D MOF. By means of high-resolution scanning tunneling microscopy, two distinct molecular arrangements formed at room temperature are disclosed, the first revealing a compact phase (kinetic product) and the second forming a porous, chiral phase comprising hexameric units via F···Au coordination (thermodynamic product). Notably, annealing to 470 K yields an ordered 2D MOF, in which native Au adatoms coordinate with six fluorine atoms. Bond-resolved atomic force microscopy confirms a non-planar geometry induced by the bowl-shaped precursors. Despite this corrugation and unconventional coordination, scanning tunneling spectroscopy and theoretical calculations reveal electronic conjugation. Altogether, this work introduces new concepts for the design of non-planar yet electronically conjugated 2D nanostructures.","PeriodicalId":268,"journal":{"name":"Chem","volume":"61 1","pages":""},"PeriodicalIF":23.5,"publicationDate":"2026-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147524524","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Zeolite-based catalysts for methane conversion: Challenges and opportunities 基于沸石的甲烷转化催化剂：挑战与机遇

IF 23.5 1区化学

Chem Pub Date : 2026-03-26 DOI: 10.1016/j.chempr.2026.102986

Feng Li, Yuan Fang, Yaqi Lai, Liang Wang, Xiangju Meng, Feng-Shou Xiao

{"title":"Zeolite-based catalysts for methane conversion: Challenges and opportunities","authors":"Feng Li, Yuan Fang, Yaqi Lai, Liang Wang, Xiangju Meng, Feng-Shou Xiao","doi":"10.1016/j.chempr.2026.102986","DOIUrl":"https://doi.org/10.1016/j.chempr.2026.102986","url":null,"abstract":"The strong growth in the consumption of natural gas is mainly due to its use as a fuel for energy and as a feedstock for industrial processes because it is a cleaner source than coal and oil. Because of this feature, there have been great efforts for the development of efficient technologies for methane conversion for a long time. The fundamental challenges for methane conversion are its stable molecular architecture—with the strongest known C–H bonds—and its lower activation energy than any molecular product of methane. Recently, zeolite-based catalysts with unique features of selective adsorption, precise assembly of active sites, and controllable composition have garnered considerable attention for methane conversions, such as methane dehydroaromatization (MDA), dry reforming of methane (DRM), partial oxidation of methane, complete oxidation of methane, and the selective catalytic reduction of NOx (CH4-SCR). This perspective briefly summarizes recent results from methane conversions, provides a couple examples of efficient methane conversion, and proposes the challenges and opportunities over zeolite-based catalysts, which should be helpful for the comprehensive utilization of methane and carbon neutrality in the future.","PeriodicalId":268,"journal":{"name":"Chem","volume":"38 1","pages":""},"PeriodicalIF":23.5,"publicationDate":"2026-03-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147507697","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The Cation Shuffle: Interplay of silylium, carbenium, and arenium ions in superelectrophile catalysis 阳离子洗牌：超亲电催化中硅、碳和arenium离子的相互作用

IF 23.5 1区化学

Chem Pub Date : 2026-03-20 DOI: 10.1016/j.chempr.2026.102959

Tobias Randt, Hendrik F.T. Klare, Martin Oestreich

引用次数: 0

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