Artur Tron, Alexander Beutl, Irshad Mohammad, Andrea Paolella
{"title":"Probing the chemical stability between current collectors and argyrodite Li<sub>6</sub>PS<sub>5</sub>Cl sulfide electrolyte.","authors":"Artur Tron, Alexander Beutl, Irshad Mohammad, Andrea Paolella","doi":"10.1038/s42004-025-01609-9","DOIUrl":"10.1038/s42004-025-01609-9","url":null,"abstract":"<p><p>Recently, sulfide-based electrolytes, including the argyrodite family (Li<sub>6</sub>PS<sub>5</sub>X, X = Cl, Br, I), are considered promising candidates for all-solid-state battery fabrication due to their high ionic conductivity. However, from the industrial point of view, other parameters such as the chemical and electrochemical stability toward current collectors are equally important, but often neglected. Although many efforts have been directed toward the investigation, optimization and testing of sulfide electrolytes into a press device (10 MPa) with a stainless-steel current collector, the investigation of the current collector's behavior in contact with sulfide solid electrolytes in coin cell (0.2 MPa) or pouch cell (0.1-0.2 MPa) formats is still an open question. In this work, the systematic physicochemical and electrochemical analyses of copper, nickel, stainless steel, aluminum, and aluminum-carbon current collectors in contact with the Li<sub>6</sub>PS<sub>5</sub>Cl electrolyte in coin cell format configuration is reported, enabling the understanding of the reaction mechanisms. While SS, Ni, Al and Al/C show good chemical stability, Cu, Li, and Cu/Li have high corrosion susceptibility in sulfide electrolytes. Therefore, this study supports the selection of appropriate current collectors for fabricating sulfide-based components, especially via the wet chemistry process which is a promising approach for the industrialization of solid-state batteries with sulfide electrolyte.</p>","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"212"},"PeriodicalIF":6.2,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12289912/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144706599","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}
Qiuzhen Li, Efstathios Nikolaos Vlachos, Patrick Bryant
{"title":"Design of linear and cyclic peptide binders from protein sequence information.","authors":"Qiuzhen Li, Efstathios Nikolaos Vlachos, Patrick Bryant","doi":"10.1038/s42004-025-01601-3","DOIUrl":"10.1038/s42004-025-01601-3","url":null,"abstract":"<p><p>Structure prediction technology has transformed protein design, yet key challenges remain, particularly in designing novel functions. Many proteins function through interactions with other proteins, making the rational design of these interactions a central problem. While most efforts focus on large, stable proteins, shorter peptides offer advantages such as lower manufacturing costs, reduced steric hindrance, and improved cell permeability when cyclised. However, their flexibility and limited structural data make them difficult to design. Here, we introduce EvoBind2, a method for designing novel linear and cyclic peptide binders of varying lengths using only the sequence of a target protein. Unlike existing approaches, EvoBind2 does not require prior knowledge of binding sites or predefined binder lengths, making it a fully blind design process. For one target protein, we demonstrate that linear and cyclic peptide binders of different lengths can be designed in a single shot, and adversarial designs can be avoided through orthogonal in silico evaluation.</p>","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"211"},"PeriodicalIF":5.9,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12280060/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144682165","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}
Anna Damsbo, Nick J Burlet, Monica L Fernández-Quintero, Melisa Benard-Valle, Max D Overath, Alid Guadarrama-Martínez, Anneline Vlamynck, Ida Bisbo, Cesar Villalobos, Tulika Tulika, Alejandro Alagón, Johannes R Loeffler, Andrew B Ward, Kim Boddum, Jens Preben Morth, Esperanza Rivera-de-Torre, Andreas H Laustsen
{"title":"Structural mechanisms behind the neutralisation of long-chain α-neurotoxins by broadly neutralising V<sub>H</sub>Hs discovered using a consensus antigen.","authors":"Anna Damsbo, Nick J Burlet, Monica L Fernández-Quintero, Melisa Benard-Valle, Max D Overath, Alid Guadarrama-Martínez, Anneline Vlamynck, Ida Bisbo, Cesar Villalobos, Tulika Tulika, Alejandro Alagón, Johannes R Loeffler, Andrew B Ward, Kim Boddum, Jens Preben Morth, Esperanza Rivera-de-Torre, Andreas H Laustsen","doi":"10.1038/s42004-025-01600-4","DOIUrl":"10.1038/s42004-025-01600-4","url":null,"abstract":"<p><p>Snakebite envenoming, a neglected tropical disease, affects millions globally, causing significant morbidity and mortality. Developing broadly neutralising monoclonal antibodies offers a promising approach to address the antigenic variation present in snake venoms. In this study, we designed a long-chain consensus α-neurotoxin, LCC, to serve as an antigen in a phage display-based antibody discovery campaign. Utilising a yeast expression system, we expressed LCC and identified 21 variable domains of heavy-chain-only antibodies (V<sub>H</sub>Hs) from immune libraries. These V<sub>H</sub>Hs were assessed for their binding affinity to various long-chain α-neurotoxins and their neutralising capability in vitro. The V<sub>H</sub>H with the broadest cross-reactivity and highest affinity, TPL1158_01_C09, was co-crystallised with α-cobratoxin to elucidate its binding mechanism. In vivo rodent studies demonstrated the neutralisation potential of TPL1158_01_C09. Our findings highlight that the use of a consensus toxin as an antigen coincided with the discovery of broadly neutralising V<sub>H</sub>Hs against snake venom toxins.</p>","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"209"},"PeriodicalIF":5.9,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12274480/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144667351","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}
{"title":"Sub-nanometer scale investigation of polyelectrolyte adsorption and desorption processes using etched fiber Bragg grating technique.","authors":"Vishwaraj Naik Parrikar, Rakshith Boranna, Suman Pahal, Chandrika Thondagere Nataraj, Ravi Prasad Kogravalli Jagannath, Prashanth Gurusiddappa R, Shivananju Bannur Nanjunda","doi":"10.1038/s42004-025-01602-2","DOIUrl":"10.1038/s42004-025-01602-2","url":null,"abstract":"<p><p>Polyelectrolyte multilayer (PEM) thin films, fabricated at nano-scale by Layer-by-Layer (LbL) self-assembly techniques, have diverse nanotechnology applications. Precise thickness measurement during layer buildup is crucial in controlling the thickness. In this work, we present a novel optical measurement technique for in-situ analysis of the PEM film build-up by utilizing Etched Fiber Bragg Gratings (EFBG)-based sensors to quantify the deposited thickness. PEM films were deposited over EFBG by alternative deposition of weak polyelectrolytes Poly(allylamine hydrochloride)(PAH) and Poly(acrylic acid)(PAA) with quantitative analysis of adsorption and desorption steps at varying pH conditions. Further, the desorption process was observed in detail at the sub-nanometer scale, with PAA exhibiting a linear desorption while PAH follows an exponential desorption. This validates the inter-diffusive behavior of the low molecular weight polyelectrolytes during the PEM buildup, not only during the adsorption process but also during the desorption process. Thus, EFBG could be utilized as a precision tool to extract fundamental information during individual PEM layer build-up, thereby fine-tuning the nano-scale architecture of multilayers.</p>","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"208"},"PeriodicalIF":5.9,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12274471/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144667352","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}
Simon Grall, Ignacio Madrid, Aramis Dufour, Helen Sands, Masaki Kato, Akira Fujiwara, Soo Hyeon Kim, Arnaud Chovin, Christophe Demaille, Nicolas Clément
{"title":"Quantum bioelectrochemical (QBIOL) software based on point stochastic processes.","authors":"Simon Grall, Ignacio Madrid, Aramis Dufour, Helen Sands, Masaki Kato, Akira Fujiwara, Soo Hyeon Kim, Arnaud Chovin, Christophe Demaille, Nicolas Clément","doi":"10.1038/s42004-025-01603-1","DOIUrl":"10.1038/s42004-025-01603-1","url":null,"abstract":"<p><p>Bioelectrochemistry is crucial for understanding biological functions and driving applications in synthetic biology, healthcare, and catalysis. However, current simulation methods fail to capture both the stochastic nature of molecular motion and electron transfer across the relevant picosecond-to-minute timescales. We present QBIOL, a web-accessible software that integrates molecular dynamics, applied mathematics, GPU programming, and quantum charge transport to address this challenge. QBIOL enables quantitative stochastic electron transfer simulations and has the potential to reproduce numerically any (bio) electrochemical experiments. We illustrate this potential by comparing our simulations with experimental data on the current generated by electrode-attached redox-labeled DNA, or by nanoconfined redox species, in response to a variety of electrical excitation waveforms, configurations of interest in biosensing and catalysis. The adaptable architecture of QBIOL extends to the development of devices for quantum and molecular technologies, positioning our software as a powerful tool for enabling new research in this rapidly evolving field.</p>","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"210"},"PeriodicalIF":5.9,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12276264/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144667350","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}
{"title":"Iron-disilyl-complex-induced activation of carbonyl compounds in the deoxygenative formation of iron-carbene complexes.","authors":"Yuto Suga, Yusuke Sunada","doi":"10.1038/s42004-025-01604-0","DOIUrl":"10.1038/s42004-025-01604-0","url":null,"abstract":"<p><p>Even though transition-metal-carbene complexes occupy an important position in modern materials science, many synthetic methods for the synthesis of transition-metal carbenes rely on the use of diazomethane reagents or the incorporation of alkyl ligands followed by α-H elimination. Herein, we report that carbonyl compounds such as ketones and aldehydes can function as carbene sources via C=O bond cleavage when treated with an iron-disilyl complex with a siloxane backbone. The reaction of cyclopropenones with this iron-disilyl complex produced isolable carbene complexes, whose structures were exhaustively characterized. Similar reaction of iron-disilyl complex with DMF gave rise to the production of zwitterionic iron complex as an isolable complex, then it was converted into carbene complex upon heating. Detailed reaction mechanism for the formation of iron-carbene complexes by the reaction of iron-disilyl complex with carbonyl compounds through the zwitterionic species was demonstrated based on experimental and theoretical investigation.</p>","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"207"},"PeriodicalIF":5.9,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12274428/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144667349","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}
{"title":"Cation-induced enhanced enantioselective recognition by a chiral covalent-organic framework.","authors":"Zongsu Han, Tiankai Sun, Peng Cheng, Wei Shi","doi":"10.1038/s42004-025-01605-z","DOIUrl":"10.1038/s42004-025-01605-z","url":null,"abstract":"<p><p>Chirality plays a pivotal role in the properties of biologically active molecules, with enantiomers exhibiting divergent pharmacological and toxicological profiles. Enantioselective recognition is thus crucial in drug development, asymmetric synthesis, and environmental monitoring. Luminescence sensing has emerged as a powerful strategy for enantioselective recognition due to its fast response and visual readout capabilities. Covalent-organic frameworks (COFs) offer a promising platform for such applications by combining structural robustness, modular functionality, and inherent porosity. However, achieving both high enantioselectivity and quantitative sensing within a single system remains highly challenging. Herein, we present a cation-induced strategy for enantioselective sensing using a terbium-loaded chiral COF, Tb@CD-COF. Through a facile cation exchange of piperazine cations of CD-COF with Tb<sup>3+</sup> ions, we revealed a synergistic integration of cation-enhanced luminescence and chiral cavity-based enantioselective recognition mechanism. Tb@CD-COF demonstrates visually discernible colorimetric responses and quantitative enantiomer discrimination, offering a robust and efficient platform for advanced enantioselective sensing applications.</p>","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"206"},"PeriodicalIF":5.9,"publicationDate":"2025-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12271515/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144658551","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}
{"title":"Mechanically interlocked nanotubes as recyclable catalysts for Knoevenagel condensation.","authors":"Mariano Vera-Hidalgo, Matías Blanco, Teresa Naranjo, Cristina Navío, Luisa Ruiz-González, Alejandro López-Moreno, Emilio M Pérez","doi":"10.1038/s42004-025-01591-2","DOIUrl":"10.1038/s42004-025-01591-2","url":null,"abstract":"<p><p>Single-walled carbon nanotubes (SWNTs) are a very attractive platform to build heterogeneous catalysts, benefiting from their intrinsic high surface area and their insolubility. Here, we show that SWNTs encapsulated within organic macrocycles to form mechanically interlocked rotaxane-type species (MINTs), are a good building block to graft basic nitrogenous moieties for the catalysis of the Knoevenagel condensation. The installation of the catalytically active groups is carried out after formation of the MINTs, following a modular approach. Through this chemical modification strategy, we obtain very active MINT catalysts (TOF in the range of 900-9000 h<sup>-</sup><sup>1</sup>). The interlocked catalysts can be recycled for at least five times by simple filtration and washing, without any appreciable loss of activity. In comparison, supramolecular controls lacking the mechanical link between the active moiety and the SWNT cannot be recycled. From a general point of view, these results prove that formation of MINTs is an interesting strategy to link catalytic molecular moieties to SWNTs, enabling their use as heterogeneous catalysts and therefore facilitating the purification of the products and the recycling of the catalyst.</p>","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"204"},"PeriodicalIF":5.9,"publicationDate":"2025-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12267540/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144648778","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}
{"title":"Direct observation of long-lived radical pair between flavin and guanine in single- and double-stranded DNA-oligomers.","authors":"Yoshimi Oka, Florian Quintes, Yuri Yoshikawa, Motoyasu Fujiwara, Kiminori Maeda, Stefan Weber, Katsuya Inoue","doi":"10.1038/s42004-025-01596-x","DOIUrl":"10.1038/s42004-025-01596-x","url":null,"abstract":"<p><p>The mechanism by which cryptochrome (CRY) proteins are capable of sensing weak magnetic fields (e.g., the geomagnetic field: ~50 μT) was suggested to be mediated by spin-correlated radical pairs (SCRPs) comprising a flavin adenine dinucleotide (FAD) radical and a tryptophan (Trp) radical which are formed simultaneously by light-induced electron transfer (ET). Here, we provide evidence for direct photoinduced ET that leads to long-lived SCRPs comprising a flavin (Fl) radical and a guanine (G) radical in flavin-tethered single- and double-stranded DNA oligomers by using time-resolved electron paramagnetic resonance (TREPR) spectroscopy. Transient absorption (TA) spectroscopy and its magnetic field effect (MFE) identified RP generation via a triplet-state precursor, in contrast to RP generation via a singlet-state precursor in CRY. Our findings of RPs in Fl-DNA oligomers having microsecond-long lifetimes and capable of exerting a large MFE at room temperature may significantly impact on our understanding of biological magnetoreception.</p>","PeriodicalId":10529,"journal":{"name":"Communications Chemistry","volume":"8 1","pages":"203"},"PeriodicalIF":5.9,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12241510/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144599595","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}