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The golden age of colorimetry in diagnostics and drug analysis: Focus on the rising star of metabolite-based assays 诊断和药物分析领域的比色法黄金时代:聚焦基于代谢物检测的后起之秀
IF 11.8 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-09-03 DOI: 10.1016/j.trac.2024.117947

Optical spectroscopy has gained increasing significance over time, offering an impressive revival of this analytical approach for qualitative and quantitative applications. This resurgence spans from homemade test kits to official high-throughput methods employing automatic analyzers in pharmacopoeias and forensic science. This primary methodology is once again poised to provide suitable solutions to contemporary analytical problems through the new possibilities offered by the digital revolution and biocompatible materials, fostering the development of self-standing biosensing and wearable analytical devices. This review begins with the principles of optical-based analysis, rooted in the classical correlation among analyte structural features, well-established chemical reactions, and optical properties. It concludes with applicative examples of assays built under the emerging field of metabolite-based assays, incorporating natural derivatizing molecules and metabolite-derived nanomaterials. Data suggest that a comprehensive exploration of the colorimetric research field, integrated with next-generation technologies, could lead to significant improvements in pharmaceutical analysis and molecular clinical diagnosis.

随着时间的推移,光学光谱学的重要性与日俱增,这种定性和定量分析方法的复兴令人印象深刻。从自制的检测试剂盒到药典和法医学中使用自动分析仪的官方高通量方法,都是这种方法的复兴。通过数字革命和生物兼容材料提供的新可能性,这一主要方法再次为当代分析问题提供了合适的解决方案,促进了自立式生物传感和可穿戴分析设备的发展。本综述从基于光学的分析原理入手,根植于分析物结构特征、成熟的化学反应和光学特性之间的经典关联。最后以基于代谢物的检测这一新兴领域的应用实例作为总结,其中包括天然衍生分子和代谢物衍生纳米材料。数据表明,结合下一代技术对比色法研究领域进行全面探索,可显著改善药物分析和分子临床诊断。
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引用次数: 0
Recent advances and trends in optical devices and sensors for hydrogen peroxide detection 过氧化氢检测光学设备和传感器的最新进展和趋势
IF 11.8 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-09-03 DOI: 10.1016/j.trac.2024.117948

Hydrogen peroxide (H2O2) is a critically important, vital biomarker and hence a highly relevant analyte in a broad range of bioanalytical applications. The most recent trends furthering the ability of its reliable, reproducible, and sensitive quantification include the development of non-biological enzyme mimics, the investigation of smartphone cameras as transducers and detectors, and the continued development of semi-reversible and reversible detection strategies. While the non-biological catalysts offer stability-related advantages over enzymes while providing equally good limits of detection, critical questions regarding toxicity, persistence, (bio)accumulation, and overall environmental footprint need to be answered. In the case of heavy metal-based strategies a replacement by non-toxic, renewable alternatives should be an obvious research need. Signal recording has seen a dramatic change toward smartphones, with their ever-improving computing and image-acquisition abilities. Yet, with the sheer number of different camera and phone models progress can be difficult to assess, as reproducibility and comparability of results and experimental set-ups are too often elusive. In the area of semi-reversible sensors flow injection analysis (FIA) coupled with chemiluminescence (CL) remains the most advanced system. In the case of fully reversible sensors, research points toward oxygen-based sensing to be the most reliable. Analyzing publications from 2018 to 2024, it is not surprising that the important analytical figures of merit of low limits of detection (LODs), broad quantitation ranges, faster response and regeneration times combined with novel (reversible) probes continue to be and should remain central focus of future developments.

过氧化氢(H2O2)是一种极其重要的重要生物标志物,因此在广泛的生物分析应用中是一种高度相关的分析物。为进一步提高其可靠、可重现和灵敏的定量能力,最近的发展趋势包括开发非生物酶模拟物、研究智能手机摄像头作为传感器和检测器,以及继续开发半可逆和可逆检测策略。与酶相比,非生物催化剂具有稳定性方面的优势,同时提供同样好的检测限,但有关毒性、持久性、(生物)积累和总体环境足迹等关键问题仍有待回答。对于以重金属为基础的策略,研究人员显然需要用无毒、可再生的替代品来替代。随着智能手机计算能力和图像采集能力的不断提高,信号记录技术也发生了巨大变化。然而,由于不同型号的相机和手机数量众多,进展情况难以评估,因为结果和实验装置的可重复性和可比性往往难以捉摸。在半可逆传感器领域,结合化学发光(CL)的流动注射分析(FIA)仍然是最先进的系统。在全可逆传感器方面,研究表明基于氧气的传感是最可靠的。分析 2018 年至 2024 年发表的论文,我们不难发现,低检测限 (LOD)、宽定量范围、更快的响应和再生时间等重要的分析性能指标与新型(可逆)探针相结合,将继续成为并应继续成为未来发展的核心重点。
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引用次数: 0
Novel materials and approaches for solid-phase (micro) extraction in LC-MS-based metabolomics 基于 LC-MS 的代谢组学中固相(微)萃取的新型材料和方法
IF 11.8 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-08-30 DOI: 10.1016/j.trac.2024.117941

Metabolomics offers a unique approach to study biological systems. Liquid chromatography coupled to mass spectrometry serves as a powerful analytical tool to analyze complex mixtures of metabolites. However, successful metabolomic analysis relies on sample preparation. While untargeted analysis traditionally favors non-selective procedures like liquid-liquid extraction (LLE), these methods can compromise analytical performance due to limited analyte enrichment and potential matrix interferences. Solid-phase extraction (SPE) has emerged as a well-established and versatile technique for this purpose, offering advantages over other traditional methods like LLE. This review explores the applications of SPE and solid-phase microextraction (SPME) in LC-MS-based metabolomics. We discuss various modes of SPE, ranging from conventional flow-through cartridges and plates to approaches involving the dispersion of sorbent in a sample, as well as sorbents, their properties, and the diverse geometries of support materials employed in SPME. This review underscores the potential of emerging extraction protocols to further accelerate metabolomics research.

代谢组学为研究生物系统提供了一种独特的方法。液相色谱-质谱联用技术是分析复杂代谢物混合物的强大分析工具。然而,成功的代谢组学分析依赖于样品制备。虽然非靶向分析传统上倾向于使用液-液萃取(LLE)等非选择性程序,但这些方法会因分析物富集有限和潜在的基质干扰而影响分析性能。为此,固相萃取(SPE)已成为一种成熟的多功能技术,与液-液萃取等其他传统方法相比更具优势。本综述探讨了固相萃取(SPE)和固相微萃取(SPME)在基于 LC-MS 的代谢组学中的应用。我们讨论了固相萃取的各种模式,从传统的流通式滤筒和滤板到涉及将吸附剂分散在样品中的方法,以及吸附剂、吸附剂的特性和 SPME 中使用的不同几何形状的支持材料。本综述强调了新兴萃取协议在进一步加速代谢组学研究方面的潜力。
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引用次数: 0
Tips and tricks for LC–MS-based metabolomics and lipidomics analysis 基于 LC-MS 的代谢组学和脂质组学分析的技巧和窍门
IF 11.8 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-08-29 DOI: 10.1016/j.trac.2024.117940

Metabolomics and lipidomics are rapidly growing fields, leading to novel discoveries and advancing the understanding of biological processes at the molecular level. However, designing a proper workflow and choosing from countless options can be challenging, especially for beginners in the field. To address this challenge, we provide a comprehensive overview of metabolomics and lipidomics tools and a step-by-step guide that includes “tips and tricks” based on current metabolomics and lipidomics analysis approaches. We include power analysis, sample collection and preparation, separation and detection of metabolites using primarily liquid chromatography–mass spectrometry (LC–MS), processing of raw instrumental files, quality control, statistical analysis, and data sharing. This guide offers practical insights applicable to diverse research areas, covering all the essential steps in metabolomic and lipidomic profiling.

代谢组学和脂质组学是迅速发展的领域,它们带来了新的发现,并推动了对分子水平生物过程的了解。然而,设计一个适当的工作流程并从无数的选项中做出选择是一项挑战,尤其是对于该领域的初学者来说。为了应对这一挑战,我们全面介绍了代谢组学和脂质组学工具,并根据当前的代谢组学和脂质组学分析方法提供了包括 "技巧和窍门 "在内的分步指南。内容包括功率分析、样品采集和制备、主要使用液相色谱-质谱联用技术(LC-MS)分离和检测代谢物、处理原始仪器文件、质量控制、统计分析和数据共享。本指南提供了适用于不同研究领域的实用见解,涵盖了代谢组学和脂质组学分析的所有基本步骤。
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引用次数: 0
Recent advances of artificial intelligence in quantitative analysis of food quality and safety indicators: A review 人工智能在食品质量和安全指标定量分析方面的最新进展:综述
IF 11.8 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-08-29 DOI: 10.1016/j.trac.2024.117944

Food quality and safety (FQS) are crucial aspects of everyone's life and health. With the rapidly advancing field of analytical sciences, there is a growing demand for intuitive, accurate, and swift control of FQS. In recent years, artificial intelligence (AI) has emerged as a great opportunity, offering unparalleled opportunities for extracting information and making decisions from complex or large datasets in areas like chromatography, mass spectrometry, and spectroscopy for the identification of FQS indicators. This review provides a comprehensive overview of AI-based technology's general algorithms for FQS indicator analysis. Additionally, it surveys AI-based methods that are at the forefront of analytical techniques and hold significant potential for enhancing the smart control of FQS indicators. Finally, we highlight key challenges and offer recommendations to accelerate progress towards intelligent FQS control.

食品质量和安全(FQS)是每个人生活和健康的重要方面。随着分析科学领域的飞速发展,人们对直观、准确、快速地控制 FQS 的需求日益增长。近年来,人工智能(AI)异军突起,为从色谱法、质谱法和光谱法等领域的复杂或大型数据集中提取信息并做出决策提供了无与伦比的机会,可用于识别 FQS 指标。本综述全面概述了基于人工智能技术的 FQS 指标分析通用算法。此外,它还调查了基于人工智能的方法,这些方法处于分析技术的前沿,在加强 FQS 指标的智能控制方面具有巨大潜力。最后,我们强调了主要挑战,并提出了加快实现智能 FQS 控制的建议。
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引用次数: 0
Advancing breast cancer diagnosis in 3D: The transformative power of X-ray phase-contrast microtomography for virtual histology 推进乳腺癌的三维诊断:X 射线相位对比显微层析技术在虚拟组织学中的变革力量
IF 11.8 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-08-29 DOI: 10.1016/j.trac.2024.117943

Breast cancer, a prevalent global malignancy in women, demands accurate tissue alteration detection for effective diagnosis and treatment. Histology, pivotal in diagnosis, faces challenges like time, limited tissue, and lacking comprehensive three-dimensional views. This review explores X-ray microtomography virtual histology as a complementary tool to address histology's limitations. Particularly, phase-contrast techniques offer non-destructive, high-resolution 3D imaging, surpassing traditional histology constraints. Phase-contrast microtomography provides valuable insights into breast tissue alterations, aiding early cancer detection and enhancing diagnostic precision. The role of synchrotron facilities and alternative validation approaches for clinical settings are discussed. Another significant aspect covered in this review is the global shortage of pathologists, which poses a major challenge in the timely and accurate diagnosis of breast cancer. Phase-contrast microtomography can support pathologists by offering digital imaging capabilities, which enable remote consultation and reduce the dependency on physical tissue sections.

乳腺癌是全球女性的常见恶性肿瘤,需要准确检测组织变化,以进行有效诊断和治疗。组织学作为诊断的关键,面临着时间、有限的组织和缺乏全面的三维视图等挑战。本综述探讨了 X 射线显微层析虚拟组织学,作为解决组织学局限性的补充工具。特别是,相位对比技术提供了非破坏性、高分辨率的三维成像,超越了传统组织学的限制。相位对比显微层析成像技术为了解乳腺组织的变化提供了宝贵的信息,有助于早期癌症检测和提高诊断精度。本综述讨论了同步加速器设施的作用以及临床环境下的替代验证方法。本综述涉及的另一个重要方面是全球病理学家的短缺,这对及时准确地诊断乳腺癌构成了重大挑战。相位对比显微层析技术可为病理学家提供数字成像功能,从而实现远程会诊并减少对物理组织切片的依赖。
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引用次数: 0
Challenges and possibilities for the qualitative and quantitative analysis of phosphate metabolites 磷酸盐代谢物定性和定量分析的挑战与机遇
IF 11.8 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-08-29 DOI: 10.1016/j.trac.2024.117934

Phosphate metabolites (PMs) are endogenous substances that contain phosphate groups, constituting over half of the small molecules in the body. They play crucial roles in various biological processes. However, the qualitative and quantitative analysis of PMs in biological matrices remains challenging. To elucidate the current status of detection methodologies, this review summarizes existing studies on the extraction and analysis of PMs. Emphasis is placed on the chemical derivatization-based mass spectrometry (CD-MS) strategy, with a detailed examination of the types of CD reagents and the reactive groups in PMs. Additionally, emerging methods potentially applicable to PM analysis are reviewed. Finally, we discuss the challenges and future perspectives in this field. This comprehensive review aims to enhance the understanding of PM analysis, thereby facilitating their exploration in health and disease contexts.

磷酸盐代谢物(PMs)是含有磷酸盐基团的内源性物质,占体内小分子物质的一半以上。它们在各种生物过程中发挥着至关重要的作用。然而,生物基质中磷酸盐代谢物的定性和定量分析仍然具有挑战性。为了阐明检测方法的现状,本综述总结了现有的可吸入颗粒物提取和分析研究。重点介绍了基于化学衍生的质谱分析(CD-MS)策略,并详细分析了 CD 试剂的类型和可吸入颗粒物中的反应基团。此外,还回顾了可能适用于 PM 分析的新兴方法。最后,我们讨论了该领域的挑战和未来展望。这篇全面的综述旨在加深人们对可吸入颗粒物分析的理解,从而促进在健康和疾病背景下对其进行探索。
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引用次数: 0
Exploring the potential of carbon quantum dots (CQDs) as an advanced nanomaterial for effective sensing and extraction of toxic pollutants 探索碳量子点(CQDs)作为先进纳米材料在有效传感和提取有毒污染物方面的潜力
IF 11.8 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-08-28 DOI: 10.1016/j.trac.2024.117939

Both organic and inorganic pollutants seriously impact the environment, human health, and ecosystems. Carbon quantum dots (CQDs) and their composites have emerged as promising materials for addressing these environmental issues due to their adaptability, efficiency, and environmentally friendly nature. This study aims to discuss the most recent developments in CQDs-based nanomaterials, focusing on their distinctive structures, synthesis methodologies, characterizations, and applications in environmental science as pollutants extractors and sensors. It studies the potential of nanomaterials based on CQDs for identifying and absorbing contaminants, focusing on their effectiveness in detecting and absorbing hazardous organic chemicals and heavy metals from different environments. The key results include the recognition of distinctive surface characteristics of CQDs-based nanomaterials, which facilitate effective interactions with various pollutants. This enhances their effectiveness in sensor applications and as constituents of extraction materials. This review emphasizes the potential of CQDs-based nanomaterials to transform pollution detection and extraction practices by providing an extensive overview of their utility in environmental science.

有机和无机污染物都会严重影响环境、人类健康和生态系统。碳量子点(CQDs)及其复合材料因其适应性、高效性和环保性,已成为解决这些环境问题的有前途的材料。本研究旨在讨论基于 CQDs 的纳米材料的最新发展,重点关注其独特的结构、合成方法、表征以及在环境科学中作为污染物萃取剂和传感器的应用。报告研究了基于 CQDs 的纳米材料在识别和吸收污染物方面的潜力,重点关注它们在检测和吸收不同环境中的有害有机化学物质和重金属方面的有效性。研究的主要成果包括认识到基于 CQDs 的纳米材料具有独特的表面特征,这有助于与各种污染物进行有效的相互作用。这提高了它们在传感器应用和作为萃取材料成分方面的有效性。本综述通过广泛概述基于 CQDs 的纳米材料在环境科学中的用途,强调了它们在改变污染检测和萃取方法方面的潜力。
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引用次数: 0
Unveiling bee pollen's contamination with pesticides and mycotoxins: Current analytical procedures, results and regulation 揭开蜂花粉受农药和霉菌毒素污染的真相:当前的分析程序、结果和监管
IF 11.8 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-08-28 DOI: 10.1016/j.trac.2024.117935

Bee pollen is a food supplement that is receiving increasing attention for its nutraceutical and therapeutic properties. However, several uncertainties on the safety of this beekeeping product still exist. The present work addressed this issue through the critical evaluation of 61 studies, published over the 2014–2024 period, and focused on the analysis of pesticides and mycotoxins in bee pollen. A comprehensive examination of the analytical procedures employed for the analysis of these contaminants was performed. Overall, 358 pesticides and 7 mycotoxins were found in bee pollen, with certain compounds being globally distributed and frequently encountered. An overview of the existing European regulations concerning pesticide and mycotoxin levels in food was presented, emphasizing the exclusion of bee pollen from the list of monitored commodities. The findings of the reviewed studies revealed the necessity of gathering more data on bee pollen's contamination and consumption, in order to finally perform reliable risk assessments.

蜂花粉是一种食品补充剂,因其营养保健和治疗特性而受到越来越多的关注。然而,这种养蜂产品的安全性仍存在一些不确定性。本研究对 2014-2024 年间发表的 61 项研究进行了严格评估,重点分析了蜂花粉中的农药和霉菌毒素,从而解决了这一问题。对分析这些污染物所采用的分析程序进行了全面检查。总体而言,在蜂花粉中发现了 358 种杀虫剂和 7 种霉菌毒素,其中某些化合物在全球范围内分布广泛且经常出现。报告概述了欧洲有关食品中农药和霉菌毒素含量的现行法规,强调蜂花粉不在受监测商品之列。所审查的研究结果表明,有必要收集更多有关蜂花粉污染和消费的数据,以便最终进行可靠的风险评估。
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引用次数: 0
Recent advances and trends in mid-infrared chem/bio sensors 中红外化学/生物传感器的最新进展和趋势
IF 11.8 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2024-08-27 DOI: 10.1016/j.trac.2024.117916

The Mid-Infrared (MIR) spectral regime has gained interest in biosensor research due to the unique excitation of specific molecular vibrational, rovibrational, and rotational modes of biomarkers and biological molecules, offering inherent selectivity for biomarker detection, which is a key asset for biomedical applications. This review focuses on the role of mid-infrared sensing technologies in biomedicine, emphasizing the crucial requirement for accurate detection and real-time monitoring of biological processes in early disease diagnosis and monitoring of disease progression. Highlighted examples provide insight into the effectiveness of MIR optical biosensors for addressing key biomarkers, underscoring their potential impact in areas including but not limited to personalized medicine and clinical research. Furthermore, we discuss how recently designed and implemented microstructures enhance the sensitivity within these application scenarios. These advancements will be complemented by technical challenges inherent to this evolving field, addressing further sensitivity enhancement, device miniaturization, and system integration, along with advanced data analysis. Future strategies discussed in this review contextualize the convergence of MIR sensing, biomedicine, and the integration of artificial intelligence for comprehensive data analysis and interpretation.

中红外(MIR)光谱系统在生物传感器研究中备受关注,因为它能激发生物标记物和生物分子的特定分子振动、振荡和旋转模式,为生物标记物检测提供固有的选择性,这是生物医学应用的关键资产。本综述侧重于中红外传感技术在生物医学中的作用,强调在早期疾病诊断和疾病进展监测中准确检测和实时监测生物过程的关键要求。重点介绍的实例深入说明了中红外光学生物传感器在处理关键生物标记物方面的有效性,强调了它们在包括但不限于个性化医疗和临床研究等领域的潜在影响。此外,我们还讨论了最近设计和实施的微结构如何在这些应用场景中提高灵敏度。在取得这些进展的同时,这一不断发展的领域也面临着固有的技术挑战,包括进一步提高灵敏度、设备微型化、系统集成以及先进的数据分析。本综述中讨论的未来战略将结合近红外传感、生物医学和人工智能的融合,以实现全面的数据分析和解读。
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引用次数: 0
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Trends in Analytical Chemistry
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