ChemPub Date : 2025-04-10DOI: 10.1016/j.chempr.2024.11.014
Johannes Hahmann , Boris N. Schüpp , Aman Ishaqat , Arjuna Selvakumar , Robert Göstl , Frauke Gräter , Andreas Herrmann
{"title":"Sequence-specific, mechanophore-free mechanochemistry of DNA","authors":"Johannes Hahmann , Boris N. Schüpp , Aman Ishaqat , Arjuna Selvakumar , Robert Göstl , Frauke Gräter , Andreas Herrmann","doi":"10.1016/j.chempr.2024.11.014","DOIUrl":"10.1016/j.chempr.2024.11.014","url":null,"abstract":"<div><div>Nucleic acids, such as DNA, are integral components of biological systems in that they steer many cellular processes and biotechnological applications. In addition, their monomer-precise sequence and accurately predictable structure render them an excellent model for exploring fundamental problems in nanotechnology and polymer science. In the field of polymer mechanochemistry, predetermined breaking points, called mechanophores, are used to endow macromolecules with chain-scission selectivity when subjected to external forces. However, this approach entails cumbersome chemical synthesis and limited outcome analysis. Here, we show the mechanophore-free, near-nucleotide-precise scission of nicked double-stranded DNA in a combined experimental and computational approach. We leverage next-generation sequencing to achieve monomer-level precision in assessing chain scission. Additionally, we monitor and control the scission distribution on the polymer’s backbone. Our research highlights the potential of DNA as a model polymer in the field of polymer mechanochemistry.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"11 4","pages":"Article 102376"},"PeriodicalIF":19.1,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142912261","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}
ChemPub Date : 2025-04-10DOI: 10.1016/j.chempr.2025.102502
Sophie R. Thomas, Nina Willnhammer, Angela Casini, Guillermo Moreno-Alcántar
{"title":"Gold metallacages: Design principles and applications","authors":"Sophie R. Thomas, Nina Willnhammer, Angela Casini, Guillermo Moreno-Alcántar","doi":"10.1016/j.chempr.2025.102502","DOIUrl":"https://doi.org/10.1016/j.chempr.2025.102502","url":null,"abstract":"Metallacages (MCgs) are three-dimensional (3D)-supramolecular coordination complexes (SCCs) obtained by the self-assembly of metal ions with donor ligands, which are arranged to delimit a cavity. Recently, the number of structural studies using gold ions in the construction of metallacages and the first efforts to design these systems for diverse applications have shed light on the potential of gold MCgs to become useful supramolecular systems in sensing and separation, catalysis, and medicine. This work critically revises the design principles of gold MCgs and their early applications, highlighting the main challenges and opportunities for developing functional assemblies.","PeriodicalId":268,"journal":{"name":"Chem","volume":"183 1","pages":""},"PeriodicalIF":23.5,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143814148","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}
ChemPub Date : 2025-04-10DOI: 10.1016/j.chempr.2025.102535
Alexander J. Norquist
{"title":"Flipping the script: Predicting chemical composition in metal-halide perovskites from optical spectroscopy","authors":"Alexander J. Norquist","doi":"10.1016/j.chempr.2025.102535","DOIUrl":"10.1016/j.chempr.2025.102535","url":null,"abstract":"<div><div>In this issue of <em>Chem</em>, Harel and co-workers report a chemical-space-property descriptor model capable of predicting chemical compositions of metal halide perovskites by using fast optical analyses. This model is designed to enable facile monitoring of chemical composition and assessment of material properties in industrial-scale syntheses.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"11 4","pages":"Article 102535"},"PeriodicalIF":19.1,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143713535","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}
ChemPub Date : 2025-04-10DOI: 10.1016/j.chempr.2025.102525
Brent Daelemans , Paul Jusner , Balaji Sridharan , Miet Van Dael , Kelly Servaes , Karolien Vanbroekhoven , Elias Feghali
{"title":"Pilot-scale reductive catalytic depolymerization of lignin: Challenges and guidelines","authors":"Brent Daelemans , Paul Jusner , Balaji Sridharan , Miet Van Dael , Kelly Servaes , Karolien Vanbroekhoven , Elias Feghali","doi":"10.1016/j.chempr.2025.102525","DOIUrl":"10.1016/j.chempr.2025.102525","url":null,"abstract":"<div><div>The valorization of renewable materials is critical to improving the circularity of the chemical industry. This Synergy article describes how lignin waste streams can be upgraded to valuable resources through reductive catalytic depolymerization. The article presents the challenges linked to the upscaling of this process and offers guidelines for performing the process in a successful and economic manner.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"11 4","pages":"Article 102525"},"PeriodicalIF":19.1,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143677963","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}
ChemPub Date : 2025-04-10DOI: 10.1016/j.chempr.2025.102436
Senfeng Zhao , Qian Chen , Qimanguli Saiding , Soohwan An , Zhuoming Zhou , Na Kong , Yujing J. Heng , Reza Abdi , Wei Tao
{"title":"Live bacterial chemistry in biomedicine","authors":"Senfeng Zhao , Qian Chen , Qimanguli Saiding , Soohwan An , Zhuoming Zhou , Na Kong , Yujing J. Heng , Reza Abdi , Wei Tao","doi":"10.1016/j.chempr.2025.102436","DOIUrl":"10.1016/j.chempr.2025.102436","url":null,"abstract":"<div><div>Live bacteria-based living materials have gained unprecedented attention in the biomedical landscape due to their natural host compatibility and unique dynamic accommodation. In recent decades, the strategic application of live bacteria has yielded revolutionary biomedical outcomes that standardized methods cannot achieve. However, misusing live bacteria may lead to infections, toxicity, or even biochemical dangers for patients. Fortunately, bacteria’s nature as single-celled organisms with relatively well-defined chemical compositions is advantageous. Leveraging our deep understanding of live bacterial chemistry and using chemical tools for management allows us to customize live bacterial behaviors and functions on demand. In this perspective, we will summarize the programmable chemical sites on live bacteria and the potential physical, chemical, or biological functions achievable through chemical engineering. We will focus on chemical approaches to live bacteria-based biomedicine to discuss and highlight how a more defined application of engineered live bacteria concepts could accelerate future clinical transformation.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"11 4","pages":"Article 102436"},"PeriodicalIF":19.1,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143776225","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}
{"title":"Chemical space-property predictor model of perovskite materials by high-throughput synthesis and artificial neural networks","authors":"Md. Ataur Rahman , Md. Shahjahan , Yaqing Zhang , Rihan Wu , Elad Harel","doi":"10.1016/j.chempr.2024.10.027","DOIUrl":"10.1016/j.chempr.2024.10.027","url":null,"abstract":"<div><div>Lead-halide perovskites exhibit highly tunable optical properties, making them suitable for applications in photovoltaics and optoelectronics. Although considerable effort has gone into the development of methods that accurately predict the optical properties of perovskite materials based on structure, the reverse—predicting composition from optical data—is far less explored. In this study, high-throughput approaches were employed to synthesize and spectroscopically analyze a wide array of perovskites composed of mono-halide, di-halide, and tri-halides with a general formula, MA<sub>x</sub>Cs<sub>1−x</sub>Pb(Cl<sub>x</sub>Br<sub>y</sub>I<sub>1−x−y</sub>)<sub>3</sub>. The spectroscopic data were used to train an artificial neural network (ANN)-based chemical space-property predictor model designed to work with multiple responses and multiple predictors. The model predicted the chemical composition of perovskites from terahertz (THz) Raman spectroscopic data with approximately 85% accuracy. When the dataset also incorporated UV-visible spectroscopic data, the accuracy increased to nearly 92%. This study opens the possibility of real-time monitoring and defect detection, degradation analysis, and streamlined material selection and optimization of perovskite materials in industrial production.</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"11 4","pages":"Article 102360"},"PeriodicalIF":19.1,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142783066","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}
ChemPub Date : 2025-04-10DOI: 10.1016/j.chempr.2024.10.023
Gabriel Sanchez-Cano , Pablo Cristobal-Cueto , Lydia Saez , Antonio Lastra , Ana Martin-Calvo , Juan José Gutiérrez-Sevillano , Sofía Calero , Sara Rojas , Patricia Horcajada
{"title":"Drinking water purification using metal-organic frameworks: Removal of disinfection by-products","authors":"Gabriel Sanchez-Cano , Pablo Cristobal-Cueto , Lydia Saez , Antonio Lastra , Ana Martin-Calvo , Juan José Gutiérrez-Sevillano , Sofía Calero , Sara Rojas , Patricia Horcajada","doi":"10.1016/j.chempr.2024.10.023","DOIUrl":"10.1016/j.chempr.2024.10.023","url":null,"abstract":"<div><div>Water disinfection is one of the most challenging processes for public health. Nevertheless, this process can generate inorganic by-products (chlorite [ClO<sub>2</sub><sup>−</sup>] and chlorate [ClO<sub>3</sub><sup>−</sup>]) associated with human diseases. Recently, the European Union established a permissible maximum concentration of 0.25 mg⋅L<sup>−1</sup> for both oxyanions in drinking water; thus, the existing technologies have to be adapted. Here, the earliest use of metal-organic frameworks (MOFs) in the elimination of the disinfection by-products ClO<sub>2</sub><sup>−</sup> and ClO<sub>3</sub><sup>−</sup> from fresh water is presented. Among the Fe-MOFs proposed, the robust MIL-88B-NH<sub>2</sub> demonstrated exceptional oxyanions elimination capacities (100% and 30% of ClO<sub>2</sub><sup>−</sup> and ClO<sub>3</sub><sup>−</sup> in 1 and 5 min, respectively). Based on these results, a continuous-flow device based on MIL-88B-NH<sub>2</sub> was tested under simulated realistic conditions, achieving high oxyanions elimination capacities, and the reusability of the system was demonstrated. This pioneering work opens new perspectives in the implementation of MOFs in real drinking water treatment plants (DWTPs).</div></div>","PeriodicalId":268,"journal":{"name":"Chem","volume":"11 4","pages":"Article 102356"},"PeriodicalIF":19.1,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142678749","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}
{"title":"Functional liquid layer enabled superior performance of air purification filter","authors":"Qifei Wang, Yuheng Sheng, Xiaowei Song, Yuchen Qiu, Xiao Li, Chao Shang, Yang Wang, Jihong Yu","doi":"10.1016/j.chempr.2025.102526","DOIUrl":"https://doi.org/10.1016/j.chempr.2025.102526","url":null,"abstract":"Particulate air contaminations adversely impact the public and have thereby prompted the development of air purification systems. Herein, we show a novel liquid-mediated purification system (LMS) based on a core-shell liquid-mediated membrane filter for high-efficient capture of almost all hazardous airborne particles. This system overcomes the unavoidable instability and fouling/clogging problems of conventional filtering systems, driven by unstable surface attractive sites (e.g., electrostatic charges). The optimized liquid layer in LMS (e.g., glycerol) affords strong surface tension effect and high particle detachment energy to enable an integrated three-step particle-capturing process (particle attraction, adhesion, and retention), achieving an overall outperforming filtration efficiency over 99% without resistance increase within 3 months usage. Such a liquid-interface-guided purification strategy performs judicious combinability and adjustability with the liquid layer acting as the primary filtering layer, promoting the development of universal, highly effective, environmentally friendly, and cost-effective air purification.","PeriodicalId":268,"journal":{"name":"Chem","volume":"34 1","pages":""},"PeriodicalIF":23.5,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143776227","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}
{"title":"Molecule-resolvable SERSome for metabolic profiling","authors":"Xinyuan Bi, Xiaohang Qian, Bingsen Xue, Miao Zhang, Shuyu Liu, Haoran Chen, Cheng Jin, Huidong Tang, Jian Ye","doi":"10.1016/j.chempr.2025.102528","DOIUrl":"https://doi.org/10.1016/j.chempr.2025.102528","url":null,"abstract":"Multiplexed detection is a challenging yet essential task in analytical chemistry, especially for complex systems. Surface-enhanced Raman spectroscopy (SERS) is a promising analytical tool due to its molecular fingerprinting capability, sensitivity, low cost, and tractability. Considering the molecular profusion and diversity, SERSome, namely, spectral set, facilitates robust detection but is still challenged by spectral overlapping-induced uncertainty of molecular assignment and multiplexed quantification. Herein, we introduce molecule-resolvable (MORE) SERSome, identifying specific analytes contributing to the complex SERS spectra, which are then used in spectral decomposition for multiplexed analysis. Taking metabolic profiling for Alzheimer’s disease as a proof of concept, ten metabolites are screened in human serum. A deep-learning model enables accurate and rapid diagnosis, achieving an area under the receiver operating characteristic curve as high as 91.5%. Comparing with conventional methods, MORE SERSome presents a methodological advancement in multiplexed detection with strong potential for general applications and fundamental research in analytical chemistry.","PeriodicalId":268,"journal":{"name":"Chem","volume":"183 1","pages":""},"PeriodicalIF":23.5,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143776224","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}
ChemPub Date : 2025-04-04DOI: 10.1016/j.chempr.2025.102501
John S. Albin, Gha Young Lee, Corey Johnson, Dimuthu A. Vithanage, Wayne Vuong, Bradley L. Pentelute
{"title":"Rapid generation of hypervariable chemical libraries","authors":"John S. Albin, Gha Young Lee, Corey Johnson, Dimuthu A. Vithanage, Wayne Vuong, Bradley L. Pentelute","doi":"10.1016/j.chempr.2025.102501","DOIUrl":"https://doi.org/10.1016/j.chempr.2025.102501","url":null,"abstract":"Flow chemistry has revolutionized polyamide synthesis, allowing access to entire synthetic proteins in a matter of hours. In principle, the efficiency of similar flow-based methods should also allow rapid access to extremely large compound libraries for selection-based drug discovery. To determine whether flow chemistry could be used for polyamide library synthesis, we adapted a semi-automated flow platform to the task of making combinatorial libraries, including both canonical and noncanonical amino acid building blocks. Using this platform, we then demonstrate the ability to decrease the turnaround time for custom library synthesis from days to <1 h while accessing quintillion-member libraries with orders of magnitude more compounds than can be made with current technologies. Flow synthesis is thus a powerful approach for the rapid generation of hypervariable libraries for selection-based drug discovery.","PeriodicalId":268,"journal":{"name":"Chem","volume":"6 1","pages":""},"PeriodicalIF":23.5,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143776226","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}