Ultrasound technology has become a powerful tool in modern analytical chemistry, particularly for accelerating and miniaturizing sample preparation processes. This review systematically summarizes the progress in ultrasound-assisted microextraction techniques, including dispersive liquid–liquid, emulsification, and solid- or sorbent-based microextractions. The discussion integrates mechanistic understanding of acoustic cavitation and microstreaming with their practical influence on extraction efficiency, enrichment factors, and analyte stability. Special attention is given to the use of ionic liquids, deep eutectic solvents, and magnetic deep eutectic solvents as environmentally benign extractants. The review highlights current trends toward greener, faster, and automatable analytical workflows, while critically addressing limitations such as uneven energy distribution and sonochemical degradation. Finally, key challenges and future directions are outlined, including quantitative modeling of cavitation effects and the development of smart ultrasound-assisted platforms for automated, high-throughput sample preparation.
{"title":"Ultrasound-assisted microextraction: Advancements, applications, and future directions in analytical chemistry","authors":"Justyna Werner , Justyna Płotka-Wasylka , Natalia Jatkowska , Sayyed Hossein Hashemi , Massoud Kaykhaii","doi":"10.1016/j.trac.2025.118535","DOIUrl":"10.1016/j.trac.2025.118535","url":null,"abstract":"<div><div>Ultrasound technology has become a powerful tool in modern analytical chemistry, particularly for accelerating and miniaturizing sample preparation processes. This review systematically summarizes the progress in ultrasound-assisted microextraction techniques, including dispersive liquid–liquid, emulsification, and solid- or sorbent-based microextractions. The discussion integrates mechanistic understanding of acoustic cavitation and microstreaming with their practical influence on extraction efficiency, enrichment factors, and analyte stability. Special attention is given to the use of ionic liquids, deep eutectic solvents, and magnetic deep eutectic solvents as environmentally benign extractants. The review highlights current trends toward greener, faster, and automatable analytical workflows, while critically addressing limitations such as uneven energy distribution and sonochemical degradation. Finally, key challenges and future directions are outlined, including quantitative modeling of cavitation effects and the development of smart ultrasound-assisted platforms for automated, high-throughput sample preparation.</div></div>","PeriodicalId":439,"journal":{"name":"Trends in Analytical Chemistry","volume":"194 ","pages":"Article 118535"},"PeriodicalIF":12.0,"publicationDate":"2025-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576575","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}
Pub Date : 2025-11-11DOI: 10.1016/j.trac.2025.118542
Hao Jiang, Yulin Deng, Junyuan Yang, Di Mou, Anyi Li, Xuefei Lv
Rapid, highly sensitive, and specific nucleic acid detection technique has become a major focus in the field of biomedical detection. Isothermal nucleic acid amplification techniques (INAATs) offer rapid and sensitive nucleic acid amplification without the need for complex thermal cycling. Meanwhile, CRISPR-based systems provide a programmable and highly specific mechanism for nucleic acid recognition, utilizing the trans-cleavage activity of Cas proteins to generate a detectable signal. Combining the advantages of INAATs and CRISPR to achieve both high sensitivity and high specificity has therefore become a core research direction. One-pot detection can further reduce operational complexity and avoid aerosol contamination caused by repeatedly opening the lid. However, such integrated approaches still face several challenges, including false negatives due to template degradation, signal delays caused by cleavage of intermediate amplicons, and pervasive primer competition. In recent years, researchers have recognized these issues and developed various strategies to address them, such as spatial isolation, time-lapse separation, weaking CRISPR system activity, and system optimization. This review we systematically and comprehensively elucidate, for the first time, the competitive interactions inherent in isothermal amplification and CRISPR-based one-pot methods from a molecular mechanism perspective. Meanwhile, we discusses current strategies for enhancing the performance of one-pot assays, with the aim of supporting the development of novel technologies and facilitating the advancement of diagnostic reagents.
{"title":"Competition and cooperation: A new idea for one-pot detection by isothermal amplification coupled with CRISPR","authors":"Hao Jiang, Yulin Deng, Junyuan Yang, Di Mou, Anyi Li, Xuefei Lv","doi":"10.1016/j.trac.2025.118542","DOIUrl":"10.1016/j.trac.2025.118542","url":null,"abstract":"<div><div>Rapid, highly sensitive, and specific nucleic acid detection technique has become a major focus in the field of biomedical detection. Isothermal nucleic acid amplification techniques (INAATs) offer rapid and sensitive nucleic acid amplification without the need for complex thermal cycling. Meanwhile, CRISPR-based systems provide a programmable and highly specific mechanism for nucleic acid recognition, utilizing the <em>trans</em>-cleavage activity of Cas proteins to generate a detectable signal. Combining the advantages of INAATs and CRISPR to achieve both high sensitivity and high specificity has therefore become a core research direction. One-pot detection can further reduce operational complexity and avoid aerosol contamination caused by repeatedly opening the lid. However, such integrated approaches still face several challenges, including false negatives due to template degradation, signal delays caused by cleavage of intermediate amplicons, and pervasive primer competition. In recent years, researchers have recognized these issues and developed various strategies to address them, such as spatial isolation, time-lapse separation, weaking CRISPR system activity, and system optimization. This review we systematically and comprehensively elucidate, for the first time, the competitive interactions inherent in isothermal amplification and CRISPR-based one-pot methods from a molecular mechanism perspective. Meanwhile, we discusses current strategies for enhancing the performance of one-pot assays, with the aim of supporting the development of novel technologies and facilitating the advancement of diagnostic reagents.</div></div>","PeriodicalId":439,"journal":{"name":"Trends in Analytical Chemistry","volume":"194 ","pages":"Article 118542"},"PeriodicalIF":12.0,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576579","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}
Pub Date : 2025-11-11DOI: 10.1016/j.trac.2025.118541
Wachara Chanakul , Nattapong Chantipmanee , Matthieu Sandell , Rebecca An , Michael Mayer , Yan Xu
Nanopore technologies have become powerful tools for single-molecule detection and sequencing, offering unprecedented insight into molecular structures and dynamics. This review summarizes key advances in nanopore fabrication, surface modification, and integration with chip-based nanofluidic devices. Such integration enhances analytical performance by enabling precise molecular control, reducing electrical noise, improving reproducibility, and facilitating automated handling. Despite substantial progress, challenges remain, including accurate control of pore geometry, fabrication reproducibility, material stability, nonspecific interactions, and scaling for high-throughput analysis. Integrating nanopores with nanofluidic systems provides promising routes to overcome these barriers, while emerging applications of artificial intelligence and advanced data analysis further enhance signal interpretation and sensitivity. By assessing recent progress and persistent challenges, this review highlights future directions toward robust, scalable nanopore–nanofluidic platforms that could transform analytical chemistry, enabling breakthroughs in biomolecular sensing, diagnostics, environmental monitoring, and personalized medicine.
{"title":"Nanopore sensing: current progress and future challenges tackled by nanofluidic devices","authors":"Wachara Chanakul , Nattapong Chantipmanee , Matthieu Sandell , Rebecca An , Michael Mayer , Yan Xu","doi":"10.1016/j.trac.2025.118541","DOIUrl":"10.1016/j.trac.2025.118541","url":null,"abstract":"<div><div>Nanopore technologies have become powerful tools for single-molecule detection and sequencing, offering unprecedented insight into molecular structures and dynamics. This review summarizes key advances in nanopore fabrication, surface modification, and integration with chip-based nanofluidic devices. Such integration enhances analytical performance by enabling precise molecular control, reducing electrical noise, improving reproducibility, and facilitating automated handling. Despite substantial progress, challenges remain, including accurate control of pore geometry, fabrication reproducibility, material stability, nonspecific interactions, and scaling for high-throughput analysis. Integrating nanopores with nanofluidic systems provides promising routes to overcome these barriers, while emerging applications of artificial intelligence and advanced data analysis further enhance signal interpretation and sensitivity. By assessing recent progress and persistent challenges, this review highlights future directions toward robust, scalable nanopore–nanofluidic platforms that could transform analytical chemistry, enabling breakthroughs in biomolecular sensing, diagnostics, environmental monitoring, and personalized medicine.</div></div>","PeriodicalId":439,"journal":{"name":"Trends in Analytical Chemistry","volume":"194 ","pages":"Article 118541"},"PeriodicalIF":12.0,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576578","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}
Pub Date : 2025-11-11DOI: 10.1016/j.trac.2025.118540
Immanuel David Charles , Zhongyong Xu , Tianyi Qin , Zhiqing Xun , Shiwei Zhang , Lei Wang , Bin Liu
In recent years, the accumulation of drug residues has emerged as a serious and unavoidable form of food contamination, posing significant health risks and regulatory challenges. Among these, anthelmintic residues in food have become a growing concern due to their potential contribution to foodborne illnesses and long-term toxicity. Consequently, the development of rapid and reliable detection methods for anthelmintic residues is of great importance. Although several analytical techniques have been developed for monitoring anthelmintic residues, conventional methods are often costly, labor-intensive, and time-consuming. In contrast, fluorescence-based techniques offer distinct advantages such as high sensitivity, rapid response, and cost-effectiveness, making them a promising alternative. Furthermore, recent advancements in portable devices, field-deployable sensors, and smart material-based probes have expanded the applicability of fluorescence sensing, enabling faster and more affordable on-site residue analysis. This review provides a comprehensive overview of the major classes of anthelmintics found in food and introduces the fundamental principles of fluorescent probe materials. The characteristics, applications, advantages, and limitations of current fluorescent probes for detecting anthelmintic residues in food are critically discussed. To the best of our knowledge, this is the first review dedicated specifically to evaluating the advantages and challenges of fluorescent sensors for anthelmintic residue detection in food matrices. Finally, the review summarizes the role and potential of fluorescent probes in ensuring food safety and presents future perspectives on the design of smart fluorescent materials, next-generation multimodal sensing platforms, and advanced monitoring strategies to tackle unresolved challenges in this emerging field.
{"title":"Fluorescent sensors for anthelmintic drug detection: Advances in materials, mechanisms, and analytical applications","authors":"Immanuel David Charles , Zhongyong Xu , Tianyi Qin , Zhiqing Xun , Shiwei Zhang , Lei Wang , Bin Liu","doi":"10.1016/j.trac.2025.118540","DOIUrl":"10.1016/j.trac.2025.118540","url":null,"abstract":"<div><div>In recent years, the accumulation of drug residues has emerged as a serious and unavoidable form of food contamination, posing significant health risks and regulatory challenges. Among these, anthelmintic residues in food have become a growing concern due to their potential contribution to foodborne illnesses and long-term toxicity. Consequently, the development of rapid and reliable detection methods for anthelmintic residues is of great importance. Although several analytical techniques have been developed for monitoring anthelmintic residues, conventional methods are often costly, labor-intensive, and time-consuming. In contrast, fluorescence-based techniques offer distinct advantages such as high sensitivity, rapid response, and cost-effectiveness, making them a promising alternative. Furthermore, recent advancements in portable devices, field-deployable sensors, and smart material-based probes have expanded the applicability of fluorescence sensing, enabling faster and more affordable on-site residue analysis. This review provides a comprehensive overview of the major classes of anthelmintics found in food and introduces the fundamental principles of fluorescent probe materials. The characteristics, applications, advantages, and limitations of current fluorescent probes for detecting anthelmintic residues in food are critically discussed. To the best of our knowledge, this is the first review dedicated specifically to evaluating the advantages and challenges of fluorescent sensors for anthelmintic residue detection in food matrices. Finally, the review summarizes the role and potential of fluorescent probes in ensuring food safety and presents future perspectives on the design of smart fluorescent materials, next-generation multimodal sensing platforms, and advanced monitoring strategies to tackle unresolved challenges in this emerging field.</div></div>","PeriodicalId":439,"journal":{"name":"Trends in Analytical Chemistry","volume":"194 ","pages":"Article 118540"},"PeriodicalIF":12.0,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145517478","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}
Pub Date : 2025-11-10DOI: 10.1016/j.trac.2025.118534
R. González Herrera , A. Doblado-Onieva , P. Montoro-Leal , M.M. López Guerrero
The accumulation of plastic waste in the environment, coupled with its prolonged persistence, has led to alarmingly high concentrations. Over time, these plastics degrade into microscopic particles, known as ‘microplastics’ (MPs), which are considered potential pollutants that threaten ecosystems and human health. Current research not only focuses on the identification and monitorization of MPs but also the determination of associated inorganic and organic pollutants since these particles can act as transport vectors of trace elements (TEs) and volatile organic compounds (VOCs). Although spectroscopic techniques have been employed, mass-spectrometry has been postulated as the most promising to achieve this purpose. This review discusses the use of MS-based techniques for detecting MPs and quantifying TEs and VOCs in MPs, including their bioaccessible fraction. Recent approaches such as gold nanoparticle (AuNPs) labeling for SP-ICP-MS and LA-ICP-MS mapping are also discussed for evaluating biological and environmental risks.
{"title":"Advancing microplastic and associated pollutants detection: A comprehensive review on high-sensitivity analysis using mass spectrometry techniques","authors":"R. González Herrera , A. Doblado-Onieva , P. Montoro-Leal , M.M. López Guerrero","doi":"10.1016/j.trac.2025.118534","DOIUrl":"10.1016/j.trac.2025.118534","url":null,"abstract":"<div><div>The accumulation of plastic waste in the environment, coupled with its prolonged persistence, has led to alarmingly high concentrations. Over time, these plastics degrade into microscopic particles, known as ‘microplastics’ (MPs), which are considered potential pollutants that threaten ecosystems and human health. Current research not only focuses on the identification and monitorization of MPs but also the determination of associated inorganic and organic pollutants since these particles can act as transport vectors of trace elements (TEs) and volatile organic compounds (VOCs). Although spectroscopic techniques have been employed, mass-spectrometry has been postulated as the most promising to achieve this purpose. This review discusses the use of MS-based techniques for detecting MPs and quantifying TEs and VOCs in MPs, including their bioaccessible fraction. Recent approaches such as gold nanoparticle (AuNPs) labeling for SP-ICP-MS and LA-ICP-MS mapping are also discussed for evaluating biological and environmental risks.</div></div>","PeriodicalId":439,"journal":{"name":"Trends in Analytical Chemistry","volume":"194 ","pages":"Article 118534"},"PeriodicalIF":12.0,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145517477","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}
Pub Date : 2025-11-10DOI: 10.1016/j.trac.2025.118531
Evangelia Stampolaki , Alice Mondello , Eugenio Alladio , Paolo Oliveri , Alberto Mazzoleni , Francisco Pena-Pereira , Elefteria Psillakis
GreenSOL is the first comprehensive solvent selection guide tailored specifically to analytical chemistry. It employs a life cycle approach to evaluate 49 common and less common solvents along with 9 deuterated solvents, across their production, laboratory use, and waste phases. Each phase is evaluated against multiple impact categories, and solvents are assigned individual impact category scores and a composite score on a scale of 1 (least favorable) to 10 (most recommended). The guide includes an in-depth discussion of solvent performance, highlighting high-impact stages, hidden costs and waste treatment strategies, among others. It also enables direct comparison of solvents within the same chemical group or with similar properties, empowering analysts to identify greener alternatives. GreenSOL is accompanied by an interactive web-based application ([https://greensol.tuc.gr/]) to streamline its practical implementation. Overall, GreenSOL provides a structured, evidence-based tool to support informed decision-making and promote the adoption of greener, safer solvent alternatives in analytical chemistry.
{"title":"GreenSOL: Green solvent guide for analytical chemistry based on production-to-end-of-life assessment","authors":"Evangelia Stampolaki , Alice Mondello , Eugenio Alladio , Paolo Oliveri , Alberto Mazzoleni , Francisco Pena-Pereira , Elefteria Psillakis","doi":"10.1016/j.trac.2025.118531","DOIUrl":"10.1016/j.trac.2025.118531","url":null,"abstract":"<div><div>GreenSOL is the first comprehensive solvent selection guide tailored specifically to analytical chemistry. It employs a life cycle approach to evaluate 49 common and less common solvents along with 9 deuterated solvents, across their production, laboratory use, and waste phases. Each phase is evaluated against multiple impact categories, and solvents are assigned individual impact category scores and a composite score on a scale of 1 (least favorable) to 10 (most recommended). The guide includes an in-depth discussion of solvent performance, highlighting high-impact stages, hidden costs and waste treatment strategies, among others. It also enables direct comparison of solvents within the same chemical group or with similar properties, empowering analysts to identify greener alternatives. GreenSOL is accompanied by an interactive web-based application ([<span><span>https://greensol.tuc.gr/</span><svg><path></path></svg></span>]) to streamline its practical implementation. Overall, GreenSOL provides a structured, evidence-based tool to support informed decision-making and promote the adoption of greener, safer solvent alternatives in analytical chemistry.</div></div>","PeriodicalId":439,"journal":{"name":"Trends in Analytical Chemistry","volume":"194 ","pages":"Article 118531"},"PeriodicalIF":12.0,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576573","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}
RNA methylation and demethylation function as “molecular switches” to regulate the metabolism and function of RNA through a dynamic equilibrium. Accurate and sensitive detection of RNA methylation and demethylation is significant for molecular diagnostics and clinical therapeutics. Single-molecule fluorescence detection represents a cutting-edge bioanalytical technology characterized by its operational simplicity, minimal sample consumption, rapid analysis, and high sensitivity. By simply counting individual fluorescent events, single-molecule counting allows precise quantification of specific target molecules. In recent years, numerous single-molecule counting-based methods have been introduced for highly sensitive sensing of RNA methylation and demethylation, but a comprehensive review remains lacking. Herein, we aim to bridge this gap by providing an overview of the advance in single-molecule counting for in vitro detection and in vivo imaging of RNA methylation and demethylation, and discuss their fundamental principles, characteristics, and biomedical applications. Furthermore, we emphasize the existing challenges and prospective future trends in this field.
{"title":"Recent advance in single-molecule counting for in vitro detection and in vivo imaging of RNA methylation and demethylation","authors":"Hai-juan Li, Jinping Hu, Wen-jing Liu, Chun-yang Zhang","doi":"10.1016/j.trac.2025.118537","DOIUrl":"10.1016/j.trac.2025.118537","url":null,"abstract":"<div><div>RNA methylation and demethylation function as “molecular switches” to regulate the metabolism and function of RNA through a dynamic equilibrium. Accurate and sensitive detection of RNA methylation and demethylation is significant for molecular diagnostics and clinical therapeutics. Single-molecule fluorescence detection represents a cutting-edge bioanalytical technology characterized by its operational simplicity, minimal sample consumption, rapid analysis, and high sensitivity. By simply counting individual fluorescent events, single-molecule counting allows precise quantification of specific target molecules. In recent years, numerous single-molecule counting-based methods have been introduced for highly sensitive sensing of RNA methylation and demethylation, but a comprehensive review remains lacking. Herein, we aim to bridge this gap by providing an overview of the advance in single-molecule counting for <em>in vitro</em> detection and <em>in vivo</em> imaging of RNA methylation and demethylation, and discuss their fundamental principles, characteristics, and biomedical applications. Furthermore, we emphasize the existing challenges and prospective future trends in this field.</div></div>","PeriodicalId":439,"journal":{"name":"Trends in Analytical Chemistry","volume":"194 ","pages":"Article 118537"},"PeriodicalIF":12.0,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145517473","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}
Pub Date : 2025-11-07DOI: 10.1016/j.trac.2025.118532
Yixin Ren , Xiaoting Fu , Xuerui Zhang , Shuo Wang , Xiaodong Bi
Molecularly imprinted polymers (MIPs) have emerged as powerful biomimetic materials for disease diagnostics due to their ability to selectively recognize target molecules. Significant matrix interferences and low analyte concentrations place greater demands on the selective recognition capabilities of MIPs. This review begins by summarizing how MIP selectivity is characterized and controlled, and outlines strategies for regulating selectivity in a bioinspired manner. Then it highlights the diverse applications of MIPs in disease diagnostics, with detailed examples of assay formats and important diseases. Finally, the outlook is discussed on developing MIPs as Fab fragment mimics, establishing specialized MIP databases, leveraging AI-assisted design tools, and significant potential for expanding into multiple medical functions. This review aims to summarize approaches of selectivity regulation and representative work of MIPs in disease diagnostics.
{"title":"Molecularly imprinted polymers towards disease diagnostics","authors":"Yixin Ren , Xiaoting Fu , Xuerui Zhang , Shuo Wang , Xiaodong Bi","doi":"10.1016/j.trac.2025.118532","DOIUrl":"10.1016/j.trac.2025.118532","url":null,"abstract":"<div><div>Molecularly imprinted polymers (MIPs) have emerged as powerful biomimetic materials for disease diagnostics due to their ability to selectively recognize target molecules. Significant matrix interferences and low analyte concentrations place greater demands on the selective recognition capabilities of MIPs. This review begins by summarizing how MIP selectivity is characterized and controlled, and outlines strategies for regulating selectivity in a bioinspired manner. Then it highlights the diverse applications of MIPs in disease diagnostics, with detailed examples of assay formats and important diseases. Finally, the outlook is discussed on developing MIPs as Fab fragment mimics, establishing specialized MIP databases, leveraging AI-assisted design tools, and significant potential for expanding into multiple medical functions. This review aims to summarize approaches of selectivity regulation and representative work of MIPs in disease diagnostics.</div></div>","PeriodicalId":439,"journal":{"name":"Trends in Analytical Chemistry","volume":"194 ","pages":"Article 118532"},"PeriodicalIF":12.0,"publicationDate":"2025-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145517475","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}
Pub Date : 2025-11-07DOI: 10.1016/j.trac.2025.118533
Ian A. Nicholls , Kerstin Golker , Jesper G. Wiklander
The past two decades have witnessed the introduction of and then a steady increase in the use of computational techniques in the study and development of molecularly imprinted polymers (MIPs). Molecular dynamics (MD) based studies have had a significant role in this development as they can provide insights concerning the mechanisms governing the molecular level events underlying MIP synthesis and MIP-ligand interactions and can be used for the identification of preferred monomer compositions and for the prediction of MIP properties. We here review the role that MD has played in the development of molecular imprinting and examine the different types of MD strategies that have been used, including their advantages and challenges. Recent trends in the application of MD to the study of MIPs are presented, along with a perspective on the future importance of MD-based studies for the development of molecular imprinting science and technology.
{"title":"The evolution of molecular dynamics as a tool for the study and development of molecularly imprinted materials – status quo, quo vadis?","authors":"Ian A. Nicholls , Kerstin Golker , Jesper G. Wiklander","doi":"10.1016/j.trac.2025.118533","DOIUrl":"10.1016/j.trac.2025.118533","url":null,"abstract":"<div><div>The past two decades have witnessed the introduction of and then a steady increase in the use of computational techniques in the study and development of molecularly imprinted polymers (MIPs). Molecular dynamics (MD) based studies have had a significant role in this development as they can provide insights concerning the mechanisms governing the molecular level events underlying MIP synthesis and MIP-ligand interactions and can be used for the identification of preferred monomer compositions and for the prediction of MIP properties. We here review the role that MD has played in the development of molecular imprinting and examine the different types of MD strategies that have been used, including their advantages and challenges. Recent trends in the application of MD to the study of MIPs are presented, along with a perspective on the future importance of MD-based studies for the development of molecular imprinting science and technology.</div></div>","PeriodicalId":439,"journal":{"name":"Trends in Analytical Chemistry","volume":"194 ","pages":"Article 118533"},"PeriodicalIF":12.0,"publicationDate":"2025-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145463314","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}
Pub Date : 2025-11-07DOI: 10.1016/j.trac.2025.118529
David Fabregat-Safont , Francisco Madrid-Gambin , Alex Gomez-Gomez , Élida Alechaga , Gabriel Gil-Gómez , Óscar J. Pozo
Mass spectrometry (MS)-based metabolomics is considered as one of the gold-standards for the discovery of clinical biomarkers. However, metabolites proposed by MS-based metabolomics do not usually fulfil all the quality requirements to be considered as clinical biomarkers. This is especially relevant in cancer research, where there is an urgent need for robust diagnostic biomarkers. In this work, we performed an in-depth revision of recently published MS-based metabolomics studies for cancer biomarker discovery published between 2017 and 2024. We also presented a workflow for assuring robustness and reproducibility in the proposed biomarkers. The key steps of the workflow to ensure transferability of the biomarkers to clinical routine are discussed based on published literature. Our work revealed important aspects on how research has been performed recently: (i) MS-based metabolomic studies are often focused on high-incidence cancers, rather than on those lacking early diagnostic biomarkers, (ii) there is insufficient consistency in the proposed metabolites among different studies, (iii) most studies do not perform an accurate identification of the features detected by untargeted approaches, (iv) targeted analytical methods are scarcely validated, (v) most studies fail to present a clear protocol for data interpretation (e.g. concentration thresholds for proposed metabolites), and (vi) biomarkers are not usually validated using an independent cohort. This work illustrates the need for a consensus in MS-based metabolomics for the discovery of clinical biomarkers and their implementation for the early-diagnosis of cancer. The proposed workflow aims to guide researchers toward achieving robustness and reproducibility between studies, thus increasing confidence in the results.
{"title":"Lights and shadows of mass spectrometry-based metabolomics studies in cancer diagnosis: is there any marker beyond the literature background noise?","authors":"David Fabregat-Safont , Francisco Madrid-Gambin , Alex Gomez-Gomez , Élida Alechaga , Gabriel Gil-Gómez , Óscar J. Pozo","doi":"10.1016/j.trac.2025.118529","DOIUrl":"10.1016/j.trac.2025.118529","url":null,"abstract":"<div><div>Mass spectrometry (MS)-based metabolomics is considered as one of the gold-standards for the discovery of clinical biomarkers. However, metabolites proposed by MS-based metabolomics do not usually fulfil all the quality requirements to be considered as clinical biomarkers. This is especially relevant in cancer research, where there is an urgent need for robust diagnostic biomarkers. In this work, we performed an in-depth revision of recently published MS-based metabolomics studies for cancer biomarker discovery published between 2017 and 2024. We also presented a workflow for assuring robustness and reproducibility in the proposed biomarkers. The key steps of the workflow to ensure transferability of the biomarkers to clinical routine are discussed based on published literature. Our work revealed important aspects on how research has been performed recently: (i) MS-based metabolomic studies are often focused on high-incidence cancers, rather than on those lacking early diagnostic biomarkers, (ii) there is insufficient consistency in the proposed metabolites among different studies, (iii) most studies do not perform an accurate identification of the features detected by untargeted approaches, (iv) targeted analytical methods are scarcely validated, (v) most studies fail to present a clear protocol for data interpretation (e.g. concentration thresholds for proposed metabolites), and (vi) biomarkers are not usually validated using an independent cohort. This work illustrates the need for a consensus in MS-based metabolomics for the discovery of clinical biomarkers and their implementation for the early-diagnosis of cancer. The proposed workflow aims to guide researchers toward achieving robustness and reproducibility between studies, thus increasing confidence in the results.</div></div>","PeriodicalId":439,"journal":{"name":"Trends in Analytical Chemistry","volume":"194 ","pages":"Article 118529"},"PeriodicalIF":12.0,"publicationDate":"2025-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145576576","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}
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