Communications Chemistry最新文献_第2页

Silver nanospirals via autoaccelerated oriented assembly. 银纳米螺旋通过自加速定向组装。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-10-03 DOI: 10.1038/s42004-025-01684-y

Rok Mravljak, Aleksandra Kuljanin, Tina Skalar, Boštjan Genorio, Marjan Marinšek, Aleš Podgornik

{"title":"Silver nanospirals via autoaccelerated oriented assembly.","authors":"Rok Mravljak, Aleksandra Kuljanin, Tina Skalar, Boštjan Genorio, Marjan Marinšek, Aleš Podgornik","doi":"10.1038/s42004-025-01684-y","DOIUrl":"10.1038/s42004-025-01684-y","url":null,"abstract":"The unusual geometry of spiral nanocrystals gives rise to unique optical, electronic, and mechanical properties. In addition, noble metal nanoparticles, such as gold and silver, exhibit strong plasmonic responses, making them highly attractive for applications in sensing, photonics, and biomedicine. Spiral growth of noble metals was demonstrated for gold already over 70 years ago, yet its formation mechanism remains elusive. Here, we extend spiral morphology to silver, with yields of over 90%, that likely originates from the stochastic mismatch of dendrite arms during planar autoaccelerated oriented assembly (AOA). Silver nanoplates (AgNpt) synthesized via H2O2 with 3-mercaptopropionic acid (MPA) ligand form dendrites, leading to nanoribbons, nanospirals or nanoflowers, depending on MPA concentration. Dendrite formation results from MPA coverage-dependent conformational change and decreasing total nanoparticle surface area during H2O2 addition. MPA redistributes preferentially to AgNpt edges due to higher reactivity and surface area decrease, triggering interparticle attraction at a conformation transition coverage, which can be traced by pH profile during MPA adsorption. Rapid 2D oriented assembly launches diffusion-limited AOA, forming dendritic morphology. Occasionally, random arm overlap, caused by building blocks mismatch, represents the point of spiral formation. Necessity of ligand coverage-dependent conformation swich is confirmed by formation of nanospirals using 2-mercaptobenzoic acid (2MBA) ligand, and absence of their formation for all other tested mercaptans. The tailorable AOA onset, controlled by the MPA (or 2MBA) coverage, provides a bottom-up route for twisted nanocrystal synthesis within minutes. Further in-situ experiments would elucidate details of nanospiral formation on atomic scale.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"292"},"PeriodicalIF":6.2,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12494873/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145224990","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

High-throughput glycosylation screening method for biologics development using MALDI-TOF-MS. MALDI-TOF-MS用于生物制剂开发的高通量糖基化筛选方法。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-10-02 DOI: 10.1038/s42004-025-01680-2

Weilong Zhang, Liqi Xie, Huijuan Zhao, Xiaonan Ma, Shifang Ren

{"title":"High-throughput glycosylation screening method for biologics development using MALDI-TOF-MS.","authors":"Weilong Zhang, Liqi Xie, Huijuan Zhao, Xiaonan Ma, Shifang Ren","doi":"10.1038/s42004-025-01680-2","DOIUrl":"10.1038/s42004-025-01680-2","url":null,"abstract":"Glycosylation is a critical quality attribute of therapeutic proteins, yet current analytical methods often fail to meet rapid, high-throughput demands. Here, we adopted an optimized glycosylation analysis method for the quality control of therapeutic proteins that combines the speed of MALDI-TOF-MS with the precision of a full glycome internal-standard approach. With 96-well-plate compatibility, the method enables the analysis of at least 192 samples in a single experiment and offers a highly promising solution for biopharmaceutical quality-control scenarios that demand both speed and high throughput capabilities. The suitability of the method was validated on trastuzumab (Herceptin®) with high precision (CV ~ 10%) and broad linearity (R2 > 0.99) as well as fusion proteins (EPO) with multiple glycosylation sites and complex glycan structures. Excellent linearity, repeatability, and stability were demonstrated in the qualification study. The method offers significant benefits for characterizing N-glycans in glycosylated biologics, with applications ranging from early clone selection to batch-to-batch consistency control, as well as comparative assessments between biosimilars and reference drugs.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"291"},"PeriodicalIF":6.2,"publicationDate":"2025-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12491532/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145211904","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

Transfer learning from custom-tailored virtual molecular databases to real-world organic photosensitizers for catalytic activity prediction. 将学习从定制的虚拟分子数据库转移到现实世界的有机光敏剂催化活性预测。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-10-01 DOI: 10.1038/s42004-025-01678-w

Naoki Noto, Taiki Nagano, Mikito Fujinami, Ryosuke Kojima, Susumu Saito

引用次数: 0

High-performance electrochemical biosensor comprising Mn-ZIF-67 conjugated with anti-O antibody for Escherichia coli detection. 由Mn-ZIF-67偶联抗o抗体组成的高性能电化学生物传感器，用于检测大肠杆菌。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-10-01 DOI: 10.1038/s42004-025-01703-y

Atqiya Muslihati, Chandra Wulandari, Ni Luh Wulan Septiani, Gilang Gumilar, Agus Subagio, Ida Hamidah, Nugraha Nugraha, Erwin Peiner, Hutomo Suryo Wasisto, Brian Yuliarto

{"title":"High-performance electrochemical biosensor comprising Mn-ZIF-67 conjugated with anti-O antibody for Escherichia coli detection.","authors":"Atqiya Muslihati, Chandra Wulandari, Ni Luh Wulan Septiani, Gilang Gumilar, Agus Subagio, Ida Hamidah, Nugraha Nugraha, Erwin Peiner, Hutomo Suryo Wasisto, Brian Yuliarto","doi":"10.1038/s42004-025-01703-y","DOIUrl":"10.1038/s42004-025-01703-y","url":null,"abstract":"The detection of Escherichia coli (E. coli) in food and water is critical for public health, yet existing methods often lack sensitivity, speed, or field applicability. Here, we develop an electrochemical biosensor based on Mn-doped Co zeolitic imidazolate framework (ZIF-67) functionalized with anti-O antibody for sensitive E. coli detection. Mn incorporation induces phase reconstruction, surface area enhancement, and electron transfer. Antibody conjugation modulates wettability, introduces amide I and II vibrational modes, and selectively blocks electron transfer upon bacterial binding. The biosensor exhibits a linear range of 10 to 1010 CFU mL-1 with a 1 CFU mL-1 detection limit, outperforming optical and other metal organic framework-based sensors. It can discriminate non-target bacteria (Salmonella, Pseudomonas aeruginosa, Staphylococcus aureus), maintain >80% sensitivity over 5 weeks, and recover 93.10 -107.52% E. coli spiked in tap water. This work suggests the tremendous potential for on-site pathogen monitoring.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"290"},"PeriodicalIF":6.2,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12488927/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145205861","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

Effects of solution conditions on the self-assembly of the chaperone protein DNAJB6b. 溶液条件对伴侣蛋白DNAJB6b自组装的影响。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-10-01 DOI: 10.1038/s42004-025-01697-7

Andreas Carlsson, Victoria Maier, Celia Fricke, Tinna Pálmadóttir, Ingemar André, Ulf Olsson, Sara Linse

{"title":"Effects of solution conditions on the self-assembly of the chaperone protein DNAJB6b.","authors":"Andreas Carlsson, Victoria Maier, Celia Fricke, Tinna Pálmadóttir, Ingemar André, Ulf Olsson, Sara Linse","doi":"10.1038/s42004-025-01697-7","DOIUrl":"10.1038/s42004-025-01697-7","url":null,"abstract":"Chaperone proteins are essential for maintaining proteostasis. Their main role is to assist with the folding of other proteins and to prevent the aggregation of misfolded proteins. The molecular chaperone DNAJB6b efficiently suppresses amyloid formation of several peptides. This activity may rely on the same physicochemical properties as those driving chaperone self-assembly into large micellar-like oligomers. We have therefore undertaken a systematic study of DNAJB6b's self-assembly under different solution conditions. Using complementary biophysical techniques, we probe variations in aggregation number distribution and hydrodynamic radius, upon variation of pH, temperature, ionic strength, or anions across the Hofmeister series. We find that DNAJB6b maintains its propensity to self-assemble under all solution conditions examined. The size and compactness of the micelles change upon unfolding of the C-terminal domain, although a folded C-terminal domain does not drive micelle formation, which can likely be ascribed to hydrophobic interactions in the linker region. Mass photometry reveals that monomers of DNAJB6b coexist at equilibrium with the micelles. Furthermore, the free energy barrier for micelle dissociation into monomers was estimated by measuring dissociation rate constants at different temperatures.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"289"},"PeriodicalIF":6.2,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12488921/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145205897","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

Real-time inline-IR-analysis via linear-combination strategy and machineś learning for automated reaction optimization. 通过线性组合策略和机器学习实现自动反应优化的实时内联红外分析。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-09-30 DOI: 10.1038/s42004-025-01676-y

Yosuke Ashikari, Takashi Tamaki, Kyosuke Tomite, Yuya Yonekura, Aiichiro Nagaki

引用次数: 0

Mechanistic insight into the dynamics of Mur ligase through a comprehensive timescale-specific approach. 通过全面的时间尺度特异性方法对Mur连接酶动力学的机制洞察。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-09-29 DOI: 10.1038/s42004-025-01675-z

Iza Ogris, Barbara Zupančič, Izidor Sosič, Franci Merzel, Simona Golič Grdadolnik

引用次数: 0

Nanoscale profiling of evolving intermolecular interactions in ageing FUS condensates. 老化FUS凝析物分子间相互作用演化的纳米尺度分析。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-09-29 DOI: 10.1038/s42004-025-01659-z

Alyssa Miller, Zenon Toprakcioglu, Seema Qamar, Peter St George-Hyslop, Francesco Simone Ruggeri, Tuomas P J Knowles, Michele Vendruscolo

{"title":"Nanoscale profiling of evolving intermolecular interactions in ageing FUS condensates.","authors":"Alyssa Miller, Zenon Toprakcioglu, Seema Qamar, Peter St George-Hyslop, Francesco Simone Ruggeri, Tuomas P J Knowles, Michele Vendruscolo","doi":"10.1038/s42004-025-01659-z","DOIUrl":"10.1038/s42004-025-01659-z","url":null,"abstract":"Protein condensates can exist in different states with distinct material properties, corresponding to specific cellular functions. These material properties, however, remain difficult to characterise, in part due to the technical challenges associated with studying condensed states. Here, to address this problem, we combine a microfluidic sample deposition technique that preserves the solution properties of condensates on surfaces with a nanometre-resolution spatial mapping method to characterise the time-dependent material properties of condensates of the fused in sarcoma (FUS) protein. This approach revealed two distinct phase transitions within FUS condensates. We first observed a spatially heterogeneous disorder-to-order transition initiating at the condensate interfaces and associated with intermolecular β-sheet formation. This process was then followed by the gelation of the condensate core, arising from an increase in the density of intermolecular interactions between intrinsically disordered regions. Overall, this study identifies molecular conformations associated with emergent phases of FUS condensates, and establishes a technology platform to understand the role of nanometre-scale phase changes in protein condensates.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"284"},"PeriodicalIF":6.2,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12479745/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145191211","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

MolGraph-xLSTM as a graph-based dual-level xLSTM framework for enhanced molecular representation and interpretability. MolGraph-xLSTM是一个基于图的双层xLSTM框架，用于增强分子表示和可解释性。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-09-29 DOI: 10.1038/s42004-025-01683-z

Yan Sun, Yutong Lu, Yan Yi Li, Zihao Jing, Carson K Leung, Pingzhao Hu

{"title":"MolGraph-xLSTM as a graph-based dual-level xLSTM framework for enhanced molecular representation and interpretability.","authors":"Yan Sun, Yutong Lu, Yan Yi Li, Zihao Jing, Carson K Leung, Pingzhao Hu","doi":"10.1038/s42004-025-01683-z","DOIUrl":"10.1038/s42004-025-01683-z","url":null,"abstract":"Predicting molecular properties is essential for drug discovery, and computational methods can greatly enhance this process. Molecular graphs have become a focus for representation learning, with Graph Neural Networks (GNNs) widely used. However, GNNs often struggle with capturing long-range dependencies. To address this, we propose MolGraph-xLSTM, a novel graph-based xLSTM model that enhances feature extraction and effectively models molecule long-range interactions. Our approach processes molecular graphs at two scales: atom-level and motif-level. For atom-level graphs, a GNN-based xLSTM framework with jumping knowledge extracts local features and aggregates multilayer information to capture both local and global patterns effectively. Motif-level graphs provide complementary structural information for a broader molecular view. Embeddings from both scales are refined via a multi-head mixture of experts (MHMoE), further enhancing expressiveness and performance. We validate MolGraph-xLSTM on 21 datasets from the MoleculeNet and Therapeutics Data Commons (TDC) benchmarks, covering both classification and regression tasks. On the MoleculeNet benchmark, our model achieves an average AUROC improvement of 3.18% for classification tasks and an RMSE reduction of 3.83% for regression tasks compared to baseline methods. On the TDC benchmark, MolGraph-xLSTM improves AUROC by 2.56%, while reducing RMSE by 3.71% on average. These results confirm the effectiveness of our model in learning generalizable molecular representations for drug discovery.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"286"},"PeriodicalIF":6.2,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12480901/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145191198","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

Investigations into the biosynthesis of stieleriacines and related N-acyl tyrosines by comparative genomics, knock-out studies and total synthesis of epi-stieleriacine C. 通过比较基因组学、敲除研究和外铁杆菌C的全合成研究铁杆菌疫苗和相关n -酰基酪氨酸的生物合成。

IF 6.2 2区化学

Communications Chemistry Pub Date : 2025-09-29 DOI: 10.1038/s42004-025-01654-4

Maria Sauer, Myriel Staack, Sven Balluff, Christian Jogler, Nicolai Kallscheuer, Christine Beemelmanns

{"title":"Investigations into the biosynthesis of stieleriacines and related N-acyl tyrosines by comparative genomics, knock-out studies and total synthesis of epi-stieleriacine C.","authors":"Maria Sauer, Myriel Staack, Sven Balluff, Christian Jogler, Nicolai Kallscheuer, Christine Beemelmanns","doi":"10.1038/s42004-025-01654-4","DOIUrl":"10.1038/s42004-025-01654-4","url":null,"abstract":"N-acyl tyrosines, a prominent class of N-acyl amino acid biomolecules, are produced by selected species in at least three bacterial phyla: Pseudomonadota, Actinomycetota and Planctomycetota. Long-chain N-acyl tyrosines with a characteristic 2,3-dehydrotyrosine core structure and additional taxon-specific chemical modifications were previously reported under the names thalassotalic acids, kyonggic acids and stieleriacines. However, the underlying pathway for their biosynthesis in the different bacterial taxa remains largely unexplored. Here, we focused on the identification of biosynthetic enzymes in the two known stieleriacine-producing planctomycetal strains of the eponymous genus Stieleria. Comparative genome analyses of stieleriacine-, thalassotalic acid- and kyonggic acid producers suggest a common pathway for N-acyl dehydrotyrosine biosynthesis based on conserved genes encoding a putative adenylyltransferase/cyclase, nitroreductase and the hallmark protein N-acyl amino acid synthase (NasY). The targeted deletion of three predicted nasY genes in Stieleria neptunia indicates that one of the three encoded enzymes predominantly produces stieleriacines. We also confirmed the absolute structure of stieleriacine C by synthesis of its epimer and structural derivatives, which serve as the basis for the future investigation of the biological function of N-acyl tyrosines.","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"283"},"PeriodicalIF":6.2,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12479983/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145191184","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