Communications Chemistry最新文献_第6页

Large language model guided automated reaction pathway exploration. 大语言模型引导自动反应路径探索。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-08-24 DOI: 10.1038/s42004-025-01630-y

Ruzhao Chen, Yubang Liu, Zhe Chen, Yinwu Li, Fuyi Yang, Jiaxin Lin, Zhuofeng Ke

{"title":"Large language model guided automated reaction pathway exploration.","authors":"Ruzhao Chen, Yubang Liu, Zhe Chen, Yinwu Li, Fuyi Yang, Jiaxin Lin, Zhuofeng Ke","doi":"10.1038/s42004-025-01630-y","DOIUrl":"10.1038/s42004-025-01630-y","url":null,"abstract":"Fast and efficient automated exploration of reaction pathways is essential for studying reaction mechanisms and advancing data-driven approaches for reaction development and catalyst design. Here, we present a new program (utilizing Python and Fortran), capable of conducting automated, fast, and efficient exploration of reaction pathways for potential energy surfaces (PES) studies. This program integrates quantum mechanics and rule-based methodologies, underpinned by a Large Language Model-assisted chemical logic. Both active-learning methods in transition states sampling and parallel multi-step reaction searches with efficient filtering help enhance efficiency and accelerate PES searching. Its effectiveness and versatility in automating searches are exemplified through case studies of multi-step reactions, including the organic cycloaddition reaction, asymmetric Mannich-type reaction, and organometallic Pt-catalyzed reaction. ARplorer's capability to scale up for high-throughput screening significantly enhances its utility, positioning it as an efficient tool for data-driven reaction development and catalyst design.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"255"},"PeriodicalIF":6.2,"publicationDate":"2025-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12375046/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144945611","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Discovery of KRAS(G12D) selective degrader ASP3082. KRAS（G12D）选择性降解剂ASP3082的发现。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-08-23 DOI: 10.1038/s42004-025-01662-4

Tomohiro Yoshinari, Takeyuki Nagashima, Hiroki Ishioka, Kohei Inamura, Yoshihiro Nishizono, Mamoru Tasaki, Kanako Iguchi, Atsushi Suzuki, Chikako Sato, Ayako Nakayama, Yasushi Amano, Yukihiro Tateishi, Yosuke Yamanaka, Fumio Osaki, Masayasu Yoshino, Kazuyuki Kuramoto, Tomoyoshi Imaizumi, Masahiko Hayakawa

{"title":"Discovery of KRAS(G12D) selective degrader ASP3082.","authors":"Tomohiro Yoshinari, Takeyuki Nagashima, Hiroki Ishioka, Kohei Inamura, Yoshihiro Nishizono, Mamoru Tasaki, Kanako Iguchi, Atsushi Suzuki, Chikako Sato, Ayako Nakayama, Yasushi Amano, Yukihiro Tateishi, Yosuke Yamanaka, Fumio Osaki, Masayasu Yoshino, Kazuyuki Kuramoto, Tomoyoshi Imaizumi, Masahiko Hayakawa","doi":"10.1038/s42004-025-01662-4","DOIUrl":"10.1038/s42004-025-01662-4","url":null,"abstract":"Kirsten rat sarcoma viral oncogene homolog (KRAS) is one of the most frequently mutated oncogenes in multiple cancers. Multiple types of KRAS mutation are observed in various patients with cancer, and the KRAS(G12D) mutation is the most common. Although multiple covalent inhibitors of the KRAS(G12C) mutation have been identified and clinically validated to date, no drugs have been approved yet for other mutations, including G12D. Herein, we report the discovery and characterization of ASP3082, a KRAS(G12D)-selective degrader, and the crystal structure of the drug-induced ternary complex of KRAS(G12D)/ASP3082/VHL (von Hippel-Lindau). We have also demonstrated an efficient structure-based rational optimization approach, which could be applicable for the optimization of other bifunctional proximity-inducing drugs. ASP3082 effectively induces KRAS(G12D) protein degradation with remarkable selectivity, demonstrates highly efficacious and durable pharmacological activity, and induces tumor regression in multiple KRAS(G12D)-mutated cancer xenograft models. Our results suggest that ASP3082 is a potential therapeutic agent for KRAS(G12D)-mutated cancer, and is now under clinical investigation.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"254"},"PeriodicalIF":6.2,"publicationDate":"2025-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12375097/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144945620","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Ni/NHC-catalyzed C5-H alkylation and alkenylation of challenging furan(thiophene)-2-carboxaldehydes enabled by recyclable imine protecting group. 可回收亚胺保护基团催化Ni/ nhc催化呋喃（噻吩）-2-羧基的C5-H烷基化和烯化反应。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-08-22 DOI: 10.1038/s42004-025-01653-5

Olga V Khazipova, Oleg V Khazipov, Konstantin E Shepelenko, Alexey S Kashin, Yu Zhang, Victor M Chernyshev, Valentine P Ananikov

{"title":"Ni/NHC-catalyzed C5-H alkylation and alkenylation of challenging furan(thiophene)-2-carboxaldehydes enabled by recyclable imine protecting group.","authors":"Olga V Khazipova, Oleg V Khazipov, Konstantin E Shepelenko, Alexey S Kashin, Yu Zhang, Victor M Chernyshev, Valentine P Ananikov","doi":"10.1038/s42004-025-01653-5","DOIUrl":"10.1038/s42004-025-01653-5","url":null,"abstract":"Transition-metal-catalyzed C-H alkylation of heteroaromatics with alkenes represents an atom-economical and cost-effective strategy for accessing industrially and pharmaceutically relevant compounds. However, the selective C5-H alkylation of biomass-derived furfural and its isosteric analog, thiophene-2-carboxaldehyde, highly challenging yet industrially vital substrates, has remained elusive. Herein, we disclose a Ni/NHC-catalyzed strategy for the C5-H alkylation of furan- and thiophene-2-carboxaldehydes with styrenes and norbornene, enabled by a readily installable and recyclable N-PMP (p-methoxyphenyl) imine protecting group. This method also achieves selective C5-H alkenylation with internal alkynes. Mechanistic studies suggest that C-H alkylation proceeds via a ligand-to-ligand hydrogen transfer (LLHT) pathway. The N-PMP imine group effectively suppresses undesirable benzoin condensation of these reactive aldehydes and prevents NHC trapping in Breslow intermediates, a major catalyst deactivation pathway. The protecting group is efficiently cleaved under acid hydrolysis, yielding C5-functionalized aldehydes, while the liberated anisidine can be recycled for imine substrate preparation. This work also highlights the largely unexplored potential of the N-aryl imine group as the protecting group for distal C(sp²)-H functionalization of heteroaromatic aldehydes under Ni catalysis.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"253"},"PeriodicalIF":6.2,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12373790/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144945616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Membrane charge primes the necroptotic kinase RIPK3 for amyloid assembly. 膜电荷为淀粉样蛋白组装启动坏死激酶RIPK3。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-08-21 DOI: 10.1038/s42004-025-01658-0

Fátima C Escobedo-González, Andrea Gelardo, Alexandra Reimers, Paula Polonio, Miguel Mompeán, Gustavo A Titaux-Delgado

引用次数: 0

Nanobubble-infused electrolytes for enhanced mass transfer in liquid-fed CO₂ electroreduction. 纳米气泡注入的电解质在液体供气CO2电还原中增强传质。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-08-18 DOI: 10.1038/s42004-025-01645-5

Jieyang Li, Changhao Luo, Huanlei Zhang, Zijia Huang, Zhan Jiang, Jianuo Chen, Thomas S Miller, Kun Jiang, Rhodri Jervis, Yongye Liang, Meng Lin

{"title":"Nanobubble-infused electrolytes for enhanced mass transfer in liquid-fed CO2 electroreduction.","authors":"Jieyang Li, Changhao Luo, Huanlei Zhang, Zijia Huang, Zhan Jiang, Jianuo Chen, Thomas S Miller, Kun Jiang, Rhodri Jervis, Yongye Liang, Meng Lin","doi":"10.1038/s42004-025-01645-5","DOIUrl":"10.1038/s42004-025-01645-5","url":null,"abstract":"Electrochemical carbon dioxide reduction (CO2RR) in aqueous systems provides a sustainable pathway to convert CO2 into valuable chemicals and fuels. However, the limited solubility and slow diffusion of CO2 in aqueous electrolyte impose significant mass transfer barriers, particularly at high current densities. This study introduces a nanobubble-infused electrolyte strategy that leverages the unique properties of nanobubbles, including localized CO2 enrichment, enhanced diffusion, and micro-convection to overcome these limitations. Compared to conventional CO2-saturated electrolytes, the nanobubble-infused electrolytes achieve a 10-fold increase in the volumetric mass transfer coefficient and a 42.3% increase in the limiting current density. Implementing this approach with a zero-gap liquid-fed electrolyzer featuring a hydrophilic diffusion medium further enhances mass transfer, yielding an additional 28% increase in limiting current density. Mechanistic insights from multiphysics simulations reveal that nanobubbles enhance CO2 availability near the catalyst, reduce overpotentials, and improve CO2RR selectivity by suppressing hydrogen evolution. By validating this scalable and robust approach across different catalysts, this work establishes nanobubble-infused electrolytes as a universal solution for addressing mass transfer challenges independent of catalyst choice in liquid-fed CO2RR and paves the way for industrial-scale CO2 conversion technologies.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"251"},"PeriodicalIF":6.2,"publicationDate":"2025-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12361496/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144871802","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

SERS nose arrays based on a signal differentiation approach for TNT gas detection. 基于信号分化方法的SERS鼻阵TNT气体检测。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-08-18 DOI: 10.1038/s42004-025-01656-2

Peitao Dong, Haiyang Yang, Tianran Wang, Siyue Xiong, Li Kuang, Weihong Qi, Xiaohua Chen, Lixia Yang, Qiuyun Fan, Dingbang Xiao, Xuezhong Wu

{"title":"SERS nose arrays based on a signal differentiation approach for TNT gas detection.","authors":"Peitao Dong, Haiyang Yang, Tianran Wang, Siyue Xiong, Li Kuang, Weihong Qi, Xiaohua Chen, Lixia Yang, Qiuyun Fan, Dingbang Xiao, Xuezhong Wu","doi":"10.1038/s42004-025-01656-2","DOIUrl":"10.1038/s42004-025-01656-2","url":null,"abstract":"TNT, a well-known explosive, is highly toxic and difficult to decompose, making the detection of trace amounts of residual TNT in the environment a topic of significant research importance. Label-free surface-enhanced Raman spectroscopy (SERS) has been demonstrated to be capable of capturing rich compositional information from the sample being tested. Here we show a SERS nose array that contains six individual SERS substrates composed of different components based on a signal differentiation approach (SD-SERS arrays). In this strategy, the SD-SERS arrays integrate differentiated signal structures, physically enhanced structures, and structures with varied adsorption capabilities. Through the differentiated information obtained from SD-SERS arrays, further integration with machine learning algorithms demonstrates the high accuracy of SD-SERS arrays in classifying TNT and structurally similar 2,4-DNPA, as well as in distinguishing between gases at different concentrations. The SERS nose based on SD-SERS arrays presents a convenient and broadly applicable technology with great potential for substance classification and concentration categorization.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"250"},"PeriodicalIF":6.2,"publicationDate":"2025-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12361517/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144871803","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Solar-driven defluorination via hydroxyl radical spillover for complete mineralization of organofluorine pollutants without fluoride byproducts. 通过氢氧自由基溢出实现有机氟污染物完全矿化的太阳能驱动除氟，无氟副产物。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-08-16 DOI: 10.1038/s42004-025-01655-3

Lei Zheng, Jing-Lan Zhang, Zhixin Zheng, Chujie Huang, Yi-Lin Xie, Xu-Bing Li, Wondu Dagnaw Fentahun, Tieyu Wang, Qing-Xiao Tong, Jing-Xin Jian

{"title":"Solar-driven defluorination via hydroxyl radical spillover for complete mineralization of organofluorine pollutants without fluoride byproducts.","authors":"Lei Zheng, Jing-Lan Zhang, Zhixin Zheng, Chujie Huang, Yi-Lin Xie, Xu-Bing Li, Wondu Dagnaw Fentahun, Tieyu Wang, Qing-Xiao Tong, Jing-Xin Jian","doi":"10.1038/s42004-025-01655-3","DOIUrl":"10.1038/s42004-025-01655-3","url":null,"abstract":"The recalcitrance of fluorinated organic pollutants-featuring robust Csp²-F and Csp³-F bonds-poses critical challenges to aquatic ecosystems due to their extreme persistence and bioaccumulation. Whereas current destruction strategies suffer from high energy consumption and non-selective, here we present a solar-powered mineralization strategy utilizing cerium oxide/mesoporous silica (CeO2/mSiO2) heterojunction photocatalysts for complete defluorination of organofluorine contaminants, including fluorinated e-waste, fluoro-antibiotics and perfluorinated surfactant. Under visible light irradiation, the optimized 5%CeO2/mSiO2 achieved 91.1 ± 3.2% octafluorobiphenyl (OFB) and 97.7 ± 2.8% fleroxacin (FLE) degradations within 6 h. Notably, the 'forever chemical' perfluorooctanesulfonic acid (PFOS) can be effectively destructed, achieving a maximum of 25.9 ± 2.7% reduction in 5 days under sunshine, outperforming parallel experiments conducted without a catalyst (~0%). This process notably avoids the evolution of fluoride ions. Theoretical calculations reveal that the removal of C-F bonds by photogenerated hydroxyl radical is thermodynamically superior to hydroxyl-mediated defluorination. This work establishes an energy-efficient paradigm for eradicating \"forever chemicals\" without secondary pollution, advancing sustainable water remediation technologies.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"249"},"PeriodicalIF":6.2,"publicationDate":"2025-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12357893/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144862181","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Targeted degradation of GSPT1 and NEK7 by a molecular glue prodrug for treatment of HCC. 分子胶前药靶向降解GSPT1和NEK7治疗HCC。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-08-14 DOI: 10.1038/s42004-025-01641-9

Przemysław Glaza, Roman Pluta, Krzysztofa E Odrzywół, Marta Klejnot, Maria Wieczorek, Sylvain Cottens, Donald Coppen, Paweł Dobrzański, Tomas Drmota, Joanna Lis-Grześniak, Agata Śnieżewska, Joanna Majkut, Martyna Mianowska, Paulina Rozborska, Marta Jarmuszkiewicz, Katarzyna Kaczanowska, Aleksandra Adamska, Toshimitsu Takagi, Anna Sawicka, Anna Serwotka-Suszczak, Olga Makowska, Daria Gajewska, Kinga Jurczak, Kinga Leszkowicz, Michał Mankiewicz, Kamil Przytulski, Janusz Wiśniewski, Anna Szlachcic, Michał J Walczak

{"title":"Targeted degradation of GSPT1 and NEK7 by a molecular glue prodrug for treatment of HCC.","authors":"Przemysław Glaza, Roman Pluta, Krzysztofa E Odrzywół, Marta Klejnot, Maria Wieczorek, Sylvain Cottens, Donald Coppen, Paweł Dobrzański, Tomas Drmota, Joanna Lis-Grześniak, Agata Śnieżewska, Joanna Majkut, Martyna Mianowska, Paulina Rozborska, Marta Jarmuszkiewicz, Katarzyna Kaczanowska, Aleksandra Adamska, Toshimitsu Takagi, Anna Sawicka, Anna Serwotka-Suszczak, Olga Makowska, Daria Gajewska, Kinga Jurczak, Kinga Leszkowicz, Michał Mankiewicz, Kamil Przytulski, Janusz Wiśniewski, Anna Szlachcic, Michał J Walczak","doi":"10.1038/s42004-025-01641-9","DOIUrl":"10.1038/s42004-025-01641-9","url":null,"abstract":"Targeted Protein Degradation (TPD) technology, in the form of CRBN-modulating molecular glues, offers numerous unprecedented therapeutic benefits as evidenced by the success of approved high-value immunomodulatory imide drugs (IMiDs) such as lenalidomide and pomalidomide. Building upon these successes, we employed a small CRBN-focused library of molecular glues in a phenotypic screen against hepatocellular carcinoma (HCC) cell lines. While the original library was primarily designed to target SALL4, we identified additional CRBN substrates, including GSPT1, NEK7, and CK1α, whose degradation potently induced cell death in HCC cell lines. Subsequent lead optimization efforts yielded a compound, ABS-752, which demonstrated superior in vitro and in vivo activity through the potent degradation of GSPT1. Notably, ABS-752 does not form ternary complexes with CRBN and the neosubstrates. Further investigations revealed that ABS-752 is a prodrug activated by the monoamine oxidase, VAP-1, to an aldehyde intermediate and subsequently to the active molecule, ABT-002. VAP-1, which is overexpressed in cirrhotic liver, was identified as the primary monoamine oxidase responsible for the conversion of ABS-752. ABS-752 is currently in clinical trials for the treatment of HCC.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"247"},"PeriodicalIF":6.2,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12354682/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144854766","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Functionalized melanin for enhanced energy storage in aqueous and ionic liquid electrolytes. 功能化黑色素用于增强水和离子液体电解质的能量储存。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-08-14 DOI: 10.1038/s42004-025-01643-7

Noah Al-Shamery, Florian Heppner, Carsten Dosche, Simon Morgenschweis, Thomas Bredow, Gunther Wittstock, Pooi See Lee

{"title":"Functionalized melanin for enhanced energy storage in aqueous and ionic liquid electrolytes.","authors":"Noah Al-Shamery, Florian Heppner, Carsten Dosche, Simon Morgenschweis, Thomas Bredow, Gunther Wittstock, Pooi See Lee","doi":"10.1038/s42004-025-01643-7","DOIUrl":"10.1038/s42004-025-01643-7","url":null,"abstract":"Eumelanin is an interesting functional material for electrochemical applications due to its quinone/hydroquinone redox equilibrium. One major issue in the eumelanin film processing is the lack of solubility in polar solvents. In this study, the influence of functional groups of different polarity and their steric effects (tert-butyloxycarbonyl (Boc) groups giving \"Mel-Boc\" and nitro groups giving \"Mel-NO2\") on the electrochemical properties of eumelanin in Zn coin cell devices is discussed. The derivatives are investigated using structural and surface analysis methods. Mel-Boc gives increased particle size and reduced capacity (0.97 mA h g-1 at 0.4 A g-1) in aqueous electrolyte compared to synthetic eumelanin. This indicates the importance of high surface area and metal ion chelation in the polymers. Mel-NO2 shows improved water-solubility, cycling stability, improved capacity at current densities over 0.1 A g-1 (19.5 mA h g-1 at 0.2 A g-1), and good conductivity in ionic liquid electrolyte devices. Post-density functional theory calculations using a higher-level theoretical approach (meta-GGA level) compared to previous theoretical melanin investigations show the electron withdrawing nitro groups causing a reduced HOMO-LUMO gap potentially being a reason for the improved electrochemical properties.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"248"},"PeriodicalIF":6.2,"publicationDate":"2025-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12354689/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144854765","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

In vivo crosslinking and effective 2D enrichment for proteome wide interactome studies. 体内交联和有效的二维富集用于蛋白质组相互作用研究。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-08-13 DOI: 10.1038/s42004-025-01644-6

Philipp Bräuer, Laszlo Tirian, Fränze Müller, Karl Mechtler, Manuel Matzinger

{"title":"In vivo crosslinking and effective 2D enrichment for proteome wide interactome studies.","authors":"Philipp Bräuer, Laszlo Tirian, Fränze Müller, Karl Mechtler, Manuel Matzinger","doi":"10.1038/s42004-025-01644-6","DOIUrl":"10.1038/s42004-025-01644-6","url":null,"abstract":"Cross-linking mass spectrometry has evolved as a powerful technique to study protein-protein interactions and to provide structural information. Low reaction efficiencies, and complex matrices lead to challenging system wide crosslink analysis. We improved and streamlined an Azide-A-DSBSO based in vivo crosslinking workflow employing two orthogonal effective enrichment steps: Affinity enrichment and size exclusion chromatography (SEC). Combined, they allow an effective enrichment of DSBSO containing peptides and remove the background of linear as well as mono-linked peptides. We found that the analysis of a single SEC fraction is effective to yield ~90% of all crosslinks, which is important whenever measurement time is limited, and sample throughput is crucial. Our workflow resulted in more than 5000 crosslinks from K562 cells and generated a comprehensive PPI network. From 393 PPI found within the nucleus, 56 are novel. We further show, that by applying DSBSO to nuclear extracts we yield more crosslinks on lower abundant proteins and showcase this on the DEAD-box RNA helicase DDX39B which is predominantly expressed in the nucleus. Our data indicates that DDX39B might be present in monomeric and dimeric forms together with DDX39A within the nuclear extracts analyzed.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"245"},"PeriodicalIF":6.2,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12350791/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144844806","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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