Chemistry methods : new approaches to solving problems in chemistry最新文献

Cover Picture: Deuterium NMR in Chiral Polymer-Based Bimesophasic Lyotropic Mixtures: From the Demixing Process to Analytical Applications (Chem. Methods 6/2025) 封面图片：手性聚合物双相溶性混合物中的氘核磁共振：从分离过程到分析应用（化学）。方法6/2025)

IF 6.1

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2025-06-04 DOI: 10.1002/cmtd.202580601

Thomas Julien, Boris Gouilleux, Bernard Rousseau, Michael Reggelin, Philippe Lesot

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Cover Picture: Continuous Titration Based Method for Rapid In-Solution Analysis of Non-Covalent Interactions (Chem. Methods 5/2025)

IF 6.1

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2025-05-13 DOI: 10.1002/cmtd.202580501

Philipp Willmer, Adam C. Hundahl, Rodolphe Marie, Henrik Jensen

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Deuterium NMR in Chiral Polymer-Based Bimesophasic Lyotropic Mixtures: From the Demixing Process to Analytical Applications 手性聚合物双相溶性混合物中的氘核磁共振：从脱混过程到分析应用

IF 6.1

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2025-05-08 DOI: 10.1002/cmtd.202500011

Thomas Julien, Boris Gouilleux, Bernard Rousseau, Michael Reggelin, Philippe Lesot

{"title":"Deuterium NMR in Chiral Polymer-Based Bimesophasic Lyotropic Mixtures: From the Demixing Process to Analytical Applications","authors":"Thomas Julien, Boris Gouilleux, Bernard Rousseau, Michael Reggelin, Philippe Lesot","doi":"10.1002/cmtd.202500011","DOIUrl":"https://doi.org/10.1002/cmtd.202500011","url":null,"abstract":"Among the order-sensitive (anisotropic) nuclear magnetic resonance (NMR) interactions, the residual 2H quadrupolar couplings measured at the level of natural abundance or on deuterated compounds dissolved in (chiral) oriented solvents, is a unique and relevant source of molecular information (isotopy, chirality, structure, configuration, etc.). Until now, the aligned media used as NMR solvents (lyotropic or not) have generally been monophasic, although isotropic-anisotropic biphasic systems have recently been exploited. As a promising possibility, herein, the potential of lyotropic bimesophasic samples is examined based on a mixture of immiscible helical polymers, which result in two demixed chiral nematic domains (stable over time), each with its own orientation properties. The extraction of two independent and nonlinearly related sets of anisotropic NMR data is achieved with spatially resolved 2H nD experiments. First applied to small achiral, prochiral and chiral deuterated compounds, the approach is extended to investigate nonenriched molecules by natural abundance deuterium 2D NMR. Here lyotropic bimesophasic chiral systems combining a polypeptide (PBLG) and a polyacetylene polymer (PLA or l-MSP) in organic solvents are examined in depth, in relation with several applications. The dynamic behavior of these systems (polymer demixing and exchange process) is studied by analyzing 2H EXSY, 2H relaxation and 2H DOSY data.","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"5 6","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-05-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202500011","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144214121","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Fast Multidimensional Flow Nuclear Magnetic Resonance at High Field for Real-Time Reaction Monitoring and Flow Synthesis 高场快速多维流核磁共振实时反应监测与流动合成

IF 6.1

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2025-05-05 DOI: 10.1002/cmtd.202400061

Margherita Bazzoni, Yuliia Horbenko, Nour El Sabbagh, Achille Marchand, Magdalena Grochowska-Tatarczak, Aurélie Bernard, Patrick Giraudeau, François-Xavier Felpin, Jean-Nicolas Dumez

{"title":"Fast Multidimensional Flow Nuclear Magnetic Resonance at High Field for Real-Time Reaction Monitoring and Flow Synthesis","authors":"Margherita Bazzoni, Yuliia Horbenko, Nour El Sabbagh, Achille Marchand, Magdalena Grochowska-Tatarczak, Aurélie Bernard, Patrick Giraudeau, François-Xavier Felpin, Jean-Nicolas Dumez","doi":"10.1002/cmtd.202400061","DOIUrl":"https://doi.org/10.1002/cmtd.202400061","url":null,"abstract":"Flow nuclear magnetic resonance (NMR) at high field is a powerful approach for the online monitoring of chemical reactions, which provides real-time quantitative and structural information. While 1D 1H spectra are commonly collected for NMR monitoring applications, their information content is limited because of peak overlap and assignment ambiguity. 2D NMR methods provide an opportunity to resolve peaks that overlap in 1D spectra and obtain correlation information that helps assignment. Their fast implementations additionally have durations (from sub-second to minute) that remain compatible with a large range of online reaction monitoring applications. They are also expected to benefit flow synthesis applications in which a flow reactor is hyphenated with a high-field NMR spectrometer. Herein, a selection of fast 2D NMR methods that are compatible with flow NMR applications is described: ultrafast 2D NMR and fast diffusion-ordered NMR spectroscopy. After a description of an experimental setup and current best practices, the principle behind each method and the way in which it can be implemented for continuously flowing samples are described. Also, the flow effects that are specific to these methods, for different settings, are described. These fast 2D NMR methods should be useful to users of flow NMR with an interest in reaction monitoring.","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"5 6","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400061","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144214035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Hybrid Polarizing Solids with Extended Pore Diameters for Dissolution Dynamic Nuclear Polarization 扩展孔径杂化极化固体对溶解动态核极化的影响

IF 6.1

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2025-05-05 DOI: 10.1002/cmtd.202400068

Ekaterina V. Pokochueva, Nghia H. Le, Sylvie Guibert, Chloé Gioiosa, Quentin Stern, James Tolchard, Charlotte Bocquelet, Olivier Cala, Matthieu Cavaillès, Laurent Veyre, Otto Mankinen, Ville-Veikko Telkki, Chloé Thieuleux, Sami Jannin

{"title":"Hybrid Polarizing Solids with Extended Pore Diameters for Dissolution Dynamic Nuclear Polarization","authors":"Ekaterina V. Pokochueva, Nghia H. Le, Sylvie Guibert, Chloé Gioiosa, Quentin Stern, James Tolchard, Charlotte Bocquelet, Olivier Cala, Matthieu Cavaillès, Laurent Veyre, Otto Mankinen, Ville-Veikko Telkki, Chloé Thieuleux, Sami Jannin","doi":"10.1002/cmtd.202400068","DOIUrl":"https://doi.org/10.1002/cmtd.202400068","url":null,"abstract":"Dissolution dynamic nuclear polarization (dDNP) has emerged as a powerful technique to address the inherent sensitivity limitations in nuclear magnetic resonance imaging and spectroscopy. The technique relies on the use of stable paramagnetic polarizing agents that act as a source of hyperpolarization but unfortunately, their presence contaminates the sample and significantly enhances paramagnetic relaxation of the hyperpolarized solutions. In the last decade, novel sample formulations have been proposed to combat this issue, including silica-based hybrid polarizing solids (HYPSO), which have enabled the production of contamination-free hyperpolarization. Herein, a new generation of polarizing solids with pore diameters increased from 4 up to 28 nm is presented. Compared to the previously described HYPSOs with smaller pore sizes of 4 nm, larger pores ultimately achieve the ambitious contradictory goals of 1) providing rapid and high solid-state polarization and improving cross-polarization efficiency, while 2) decreasing hyperpolarization losses upon melting, transfer, and filtration, and 3) reducing the overall concentration of the polarizing agent by a factor of 2. These HYPSO materials can be used in virtually any existing dDNP settings without modification, apart from the sole addition of an in-line commercial filter to retain the HYPSO powder upon dissolution and transfer.","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"5 6","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400068","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144214036","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Rapid, In Situ and Non-Destructive Analysis for the Evaluation of Microplastics Degradation in Water Via Haze Measurement 基于雾霾测量的水中微塑料降解的快速、原位和无损分析

IF 6.1

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2025-04-28 DOI: 10.1002/cmtd.202400047

Rossella Greco, Lucía Baxauli-Marin, Javier Fernández-Catalá, Viktorija Pankratova, Claudiu Bulbucan, Karina Thånell, Wei Cao

{"title":"Rapid, In Situ and Non-Destructive Analysis for the Evaluation of Microplastics Degradation in Water Via Haze Measurement","authors":"Rossella Greco, Lucía Baxauli-Marin, Javier Fernández-Catalá, Viktorija Pankratova, Claudiu Bulbucan, Karina Thånell, Wei Cao","doi":"10.1002/cmtd.202400047","DOIUrl":"https://doi.org/10.1002/cmtd.202400047","url":null,"abstract":"The presence of microplastics (MPs) in water represents a current problem for marine life and a future serious issue for human health. This is pushing towards new approaches for the removal of MPs and, hence, their characterization and evaluation, which up to now has represented a limit for tentative procedures for their degradation. Herein, we reported on a new facile, in situ and non-destructive approach for the qualitative analysis of polystyrene and polymethylmethacrylate MPs in water and their evaluation in photocatalytic degradation with the use of Co3O4@Co(OH)2 heterostructures. The use of haze measurements allows to see the changes in light scattering of the MPs aqueous dispersions during the photocatalytic degradation and to know in situ the degradation of the MPs in the catalytic process. Significant changes in haze values were found in photocatalysis with Co3O4@Co(OH)2, in contrast to no variations in control test using Co(OH)2 and Co3O4. Synchrotron-radiation based scanning transmission x-ray spectroscopy further denotes strong interactions between the heterostructures with MPs and oxidization of the latter. The possible comparison of different techniques suggests that haze measurements could be a valid and cost-efficient methodology for the future evaluation of photocatalytic degradation of MPs in water.","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"5 6","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400047","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144214255","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Deciphering Important Metabolic Pathways through Reaction Pair Prediction with a Siamese Transformer Network 通过暹罗变压器网络的反应对预测来破译重要的代谢途径

IF 6.1

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2025-04-22 DOI: 10.1002/cmtd.202400064

Han Bao, Xinxin Wang, Jinhui Zhao, Bin Wang, Xinjie Zhao, Chunxia Zhao, Xin Lu, Guowang Xu

{"title":"Deciphering Important Metabolic Pathways through Reaction Pair Prediction with a Siamese Transformer Network","authors":"Han Bao, Xinxin Wang, Jinhui Zhao, Bin Wang, Xinjie Zhao, Chunxia Zhao, Xin Lu, Guowang Xu","doi":"10.1002/cmtd.202400064","DOIUrl":"https://doi.org/10.1002/cmtd.202400064","url":null,"abstract":"Important pathway identification is essential for unraveling biological mechanisms in functional metabolomics. However, current pathway enrichment is often biased toward well-characterized pathways due to low annotation rates in untargeted metabolomics and incomplete pathway coverage. It leads to potential misinterpretation of metabolomics data. Herein, Siamese transformer reaction pair (STRP) prediction, an approach for important pathway exploration in metabolomics, is introduced. STRP leverages a weight-sharing Siamese network and a multihead attention Transformer encoder to predict metabolic reaction pairs, utilizing molecular fingerprints derived from either known metabolites or tandem mass spectra of unannotated metabolic features. Pathway labels are then deduced for metabolic features from known pathway metabolites within the reaction pairs. STRP can achieve crossvalidation metrics of 98.10%/98.13% accuracy, 97.98%/98.01% precision, 97.94%/97.97% recall, 97.96%/97.99% F1 score, and 99.56%/99.57% area under the receiver operating characteristic curve of spectral pairs in ESI+/ESI− modes. It is applied to metabolomics datasets from prostate cancer and diabetic retinopathy. STRP successfully identifies and interprets important metabolic pathways, demonstrating its robust utility for important pathway identification. Besides, STRP-based molecular network showcases potential application in metabolome annotation. This approach reveals a significant advancement in leveraging high-resolution mass spectrometry-based metabolomics data, with the potential to transform understanding of complex biological processes.","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"5 6","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400064","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144214232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Cover Picture: Zeolite–Water Chemistry: Characterization Methods to Unveil Zeolite Structure (Chem. Methods 4/2025) 封面图片：沸石-水化学：揭示沸石结构的表征方法（化学）。方法4/2025)

IF 6.1

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2025-04-08 DOI: 10.1002/cmtd.202580401

José Nuno Almeida, Lu Song, Sohrab Askarli, Sang-Ho Chung, Javier Ruiz-Martínez

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Modification Strategies for Enhancing the Performance of Lithium Manganese Iron Phosphate Cathodes in Lithium-Ion Batteries 提高锂离子电池中磷酸铁锰锂负极性能的改性策略

IF 6.1

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2025-04-07 DOI: 10.1002/cmtd.202400065

Zijian Qiu, Quanyan Man, Yongbiao Mu, Huicun Gu, Zhiyu Zou, Meisheng Han, Lin Zeng

{"title":"Modification Strategies for Enhancing the Performance of Lithium Manganese Iron Phosphate Cathodes in Lithium-Ion Batteries","authors":"Zijian Qiu, Quanyan Man, Yongbiao Mu, Huicun Gu, Zhiyu Zou, Meisheng Han, Lin Zeng","doi":"10.1002/cmtd.202400065","DOIUrl":"https://doi.org/10.1002/cmtd.202400065","url":null,"abstract":"In recent years, lithium manganese iron phosphate (LiMnxFe1–xPO4, LMFP) has attracted considerable interest, primarily because of its high energy density, remarkable thermal stability, and relatively low manufacturing costs, thus positioning it as a highly promising contender for the next generation of lithium-ion battery cathodes. However, low electronic conductivity and ionic diffusion rate of LMFP hinder its ability in rapid charging applications. Currently, systematic reviews on this topic are still relatively scarce, and thus the aim of this review is to offer a thorough summary of the advancements in research concerning LMFP cathode materials. This review focuses on the structural and performance characteristics of LMFP, along with the effects of various modification strategies on its electrochemical performance. An in-depth analysis is conducted on exotic element doping, surface coating, and material nanostructuring, with a focus on their mechanisms for improving the electrochemical characteristics of LMFP. In conclusion, the review outlines potential future development directions for LMFP in the realms of interface engineering and structural design. This review aims to provide valuable perspectives into the research and innovation of LMFP materials, promote the advancement of high-performance, low-cost LMFP cathode materials, and ultimately advance the technology and commercial applications of lithium-ion batteries.","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"5 6","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400065","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144213909","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Zeolite–Water Chemistry: Characterization Methods to Unveil Zeolite Structure 沸石-水化学：揭示沸石结构的表征方法

IF 6.1

Chemistry methods : new approaches to solving problems in chemistry Pub Date : 2025-03-24 DOI: 10.1002/cmtd.202400076

José Nuno Almeida, Lu Song, Sohrab Askarli, Sang-Ho Chung, Javier Ruiz-Martínez

{"title":"Zeolite–Water Chemistry: Characterization Methods to Unveil Zeolite Structure","authors":"José Nuno Almeida, Lu Song, Sohrab Askarli, Sang-Ho Chung, Javier Ruiz-Martínez","doi":"10.1002/cmtd.202400076","DOIUrl":"https://doi.org/10.1002/cmtd.202400076","url":null,"abstract":"This review provides comprehensive aspects of the interaction of water with zeolites, focusing on its influence on the structural and catalytic properties of zeolites. It details how water can alter zeolite acidity by forming hydrogen bonding or hydronium ions through different modes of water in zeolite topologies. Moreover, it summarizes the risks of zeolite stability loss via hydrolysis of Si−O−T bonds to influence the stability, structure, and catalytic reactivity of zeolites. To address water interference, various strategies for water removal from zeolite frameworks are reviewed and proposed from the structural perspective of the zeolites. By combining advanced in-situ techniques, FTIR and solid-state NMR have proven effective in providing atomic-level insights, as they eliminate the masking effects of water to enable precise characterization of the zeolite framework. This work underscores the importance of these methods in minimizing the influence of water, enhancing the reliability of zeolite characterization for catalytic applications, and providing insights into recent advancements, challenges, and future directions in the related fields.","PeriodicalId":72562,"journal":{"name":"Chemistry methods : new approaches to solving problems in chemistry","volume":"5 4","pages":""},"PeriodicalIF":6.1,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/cmtd.202400076","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143793347","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0