年度综述:分析科学的最新进展

IF 3 Q2 CHEMISTRY, ANALYTICAL
Sebastiaan Eeltink
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Hannauer et al. summarized the advancements in separation science considering ion-pairing reversed-phase chromatography, hydrophilic interaction chromatography, and two-dimensional liquid chromatography. In particular, the effect of chromatographic elution conditions and column chemistries on retention, resolving power, and MS compatibility are outlined. In addition, recent software developments for the tandem MS analysis of oligonucleotides are discussed. Minkus, Bieber, and Letzel provided a detailed review of the processing of mass-spectrometric non-target screening (NTS) data. NTS is an untargeted comprehensive analysis methodology based on high-resolution MS, where the entire mass range of small organic molecules of anthropogenic origin is recorded within a very short cycling time, leading to complex and large data sets. 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引用次数: 0

摘要

质谱(MS)是一种非常强大的分析技术,在许多科学领域发挥着核心作用。Heaney研究小组严格审查了2021年环境电离质谱(AIMS)的应用,作为前一年审查论文的后续工作AIMS能够以高通量的方式在其原生环境中对样品进行表面分析,并广泛用于疾病诊断,法医学,国土安全应用和环境科学。Heaney等人提供了环境电离技术的概述,并强调了在广泛的科学领域的适用性,无论是在实验室还是在现场进行。高效液相色谱(HPLC)联用质谱是分析寡核苷酸疗法的首选方法。Hannauer等人总结了分离科学的进展,包括离子配对反相色谱、亲水性相互作用色谱和二维液相色谱。特别概述了色谱洗脱条件和柱化学对保留度、分辨率和质谱相容性的影响。此外,最近的软件开发的串联质谱分析寡核苷酸进行了讨论。Minkus, Bieber和Letzel对质谱非目标筛选(NTS)数据的处理进行了详细的综述。NTS是一种基于高分辨率质谱的非目标综合分析方法,在很短的循环时间内记录了人为来源的小有机分子的整个质量范围,从而产生了复杂而庞大的数据集。特别是,Minkus等人回顾了有关NTS数据处理、特征优先级以及不需要分析标准的(半)定量方法的主要贡献。Terry等人详细概述了表面增强拉曼光谱(SERS)在环境科学中的应用。当分析物分子靠近金属纳米结构时,拉曼信号固有的低强度可以通过电磁场和化学/电子增强被放大许多数量级。SERS是一种很有前途的技术,它克服了质谱的固有局限性,在质谱中获得分子质量信息,但异构区分是有问题的,而UV-VIS检测中,污染物会干扰获得的分析物光谱。Terry等人强调了有效的SERS纳米衬底的特性以及对无机、有机和生物污染物进行SERS检测的方法。此外,本文还讨论了SERS在环境检测中的利弊,并为未来的研究提供了可能的途径。本文包括两篇综述,重点介绍了新型液相色谱固定相的设计、开发和适用性。Valko描述了仿生固定相和色谱方法的最新发展。对于大多数分析科学家来说,仿生色谱可能是相对未知的,但这个概念是独特的,因为含有蛋白质和磷脂的固定相可以模拟药物分子分布的生物环境。因此,仿生分离允许评估药物分子的体内相互作用,并将减少候选分子由于不利的吸收、分布、代谢和消除特性而导致的后期损耗。Nechvátalová和Urban综述了有机聚合物整体固定相的发展趋势。大孔互联聚合物整体固定相已成功地应用于LC中生物分子分析,在梯度洗脱模式下具有很高的分辨率。为了扩大其对小分子分析的适用性,大量的努力都是为了创造新的表面化学。Nechvátalová描述了控制大孔结构和表面化学的最新协议。特别讨论了纳米颗粒和纳米管的掺入以及手性固定相的新进展。此外,开发和使用功能单片材料的样品制备突出。2020年,肛门。科学。Adv.发起了“科学中的艺术”倡议,将艺术家的印象与科学出版物联系起来在本期特刊中,Caligrafix Productions的Calissa Seelen创作了一幅数字艺术作品,将本期特刊中评论论文中描述的不同主题联系起来(图1)。我请Calissa解释导致这幅插画的思维过程,“最伟大的科学家也是艺术家。”爱因斯坦曾经说过这些美丽的话,其中蕴含着巨大的真理。最重要的是,科学是一种创造更美好未来的方式,它产生的结果完全来自研究人员的有趣想法。 科学是一种艺术形式,应该被视为我们作为人类拥有的最伟大的礼物之一。科学的目的是了解我们周围的世界。艺术翻译可以是一个奇妙的科学研究过程;展示科学成果如何创造一个更美好、更不同的未来。这两者将永远相互关联。这种相互联系形成了我对这个艺术家印象的灵感。许多研究人员正在致力于开发未来的下一代分析技术。这幅图像以未来主义和艺术的眼光审视了分析化学领域已经实现的进步。这张照片的背景设置在太空中,因为为了创造未来,研究人员必须有空间去研究今天让他们占据思想的东西。图片的每一部分都与本期特刊的个别评论论文有着多重联系。它是底部的色谱柱,构成了这幅作品的基础,在分析技术中起着重要作用。该柱辐射的力场爆炸与三维物体相连,代表了辐射在许多探测原理中所起的重要作用。保存DNA结构的立方体是唯一能够揭示其真正内部成分的物体,代表着对能够影响生化途径的新兴药物化合物的研究。本图中的多面体形状与增强整体和仿生色谱支撑的结构和化学性质的研究有关。它与晶体状结构相互作用,这是分离技术的一个重要方面。减小尺寸描绘了许多工程努力的重要性,一个拼接的球形物体就是例证。左上角有一个包含电场的结构,这与质谱界面有关。这些物体位于星系间空间的真空中,这与质谱分析中的高真空条件有关。我希望我们可以期待这样一个未来,我们可以基于我们的创造性思维创造科学,并将科学转化为艺术。在一个科学传播比以往任何时候都更加重要的时代,我感到非常荣幸能够以一种探索科学与艺术之间边界的方式做出贡献。本期特刊中的这些综述文章对重点介绍的技术的最新进展进行了快速概述。在阅读这些评论时,我受到了启发,并希望它们能够证明对我们的社区非常有价值,特别是对那些刚刚进入这些领域的人。我非常感谢作者们的贡献和他们宝贵的时间。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Annual reviews: Recent advances in analytical sciences

Annual reviews: Recent advances in analytical sciences

Mass spectrometry (MS) is an extremely powerful analytical technique, which plays a central role in many scientific fields. The Heaney research group critically reviewed the 2021 applications of ambient ionization mass spectrometry (AIMS), as a follow-up to the previous year's review paper.1 AIMS enables the surface analysis of samples in their native environment in a high-throughput fashion and is widely used in disease diagnostics, forensics, homeland security applications, and the environmental sciences. Heaney et al. provide an overview of ambient ionization techniques and highlight the applicability in a wide range of scientific fields, either carried out in the laboratory or out in the field. High-performance liquid chromatography (HPLC) hyphenated to MS is the method of choice to profile oligonucleotide therapeutics. Hannauer et al. summarized the advancements in separation science considering ion-pairing reversed-phase chromatography, hydrophilic interaction chromatography, and two-dimensional liquid chromatography. In particular, the effect of chromatographic elution conditions and column chemistries on retention, resolving power, and MS compatibility are outlined. In addition, recent software developments for the tandem MS analysis of oligonucleotides are discussed. Minkus, Bieber, and Letzel provided a detailed review of the processing of mass-spectrometric non-target screening (NTS) data. NTS is an untargeted comprehensive analysis methodology based on high-resolution MS, where the entire mass range of small organic molecules of anthropogenic origin is recorded within a very short cycling time, leading to complex and large data sets. In particular, Minkus et al. review major contributions that concern the processing of NTS data, prioritization of features, as well as (semi-) quantitative methods that do not require analytical standards.

Terry et al. provided a detailed overview of applications of surface-enhanced Raman spectroscopy (SERS) in the environmental sciences. The inherent low intensity provided by Raman signals can be amplified by many orders of magnitude through electromagnetic-field and chemical/electronic enhancements when the analyte molecule is in close proximity with metal nanostructures. SERS is a promising technique that overcomes inherent limitations of MS, where information of molecular mass is obtained but isomeric differentiation is problematic, and UV-VIS detection, where contaminants can interfere with the acquired analyte spectra. Terry et al. highlight the characteristics of effective SERS nanosubstrates and methods for the SERS detection of inorganic, organic, and biological contaminants. Moreover, the pros and cons of SERS in environmental detection are discussed and possible avenues for future investigation are provided.

Two reviews were included that focus on the design, development, and applicability of novel stationary phases for LC. Valko described the recent developments of biomimetic stationary phases and chromatographic methods. Biomimetic chromatography may be relatively unknown to most analytical scientists, but the concept is unique as stationary phases containing proteins and phospholipids can mimic the biological environment where drug molecules distribute. Consequently, biomimetic separations allow to assess the in-vivo interactions of drug molecules and will reduce later stage attrition of candidate molecules due to disadvantageous absorption, distribution, metabolism, and elimination properties. Nechvátalová and Urban reviewed the trends in the development of organic polymer monolithic stationary phases. Macroporous interconnected polymer monolithic stationary phases have been very successfully applied for biomolecule analysis in LC, yielding very high resolving power in gradient-elution mode. To expand its applicability toward small-molecule analysis, a lot of effort is directed toward creating new surface chemistries. Nechvátalová describes the latest protocols for controlling the macroporous structure and surface chemistries. In particular, the incorporation of nanoparticles and nanotubes and new developments of the chiral stationary phase are discussed. Also, the development and use of functional monolithic materials for sample preparation are highlighted.

In 2020, Anal. Sci. Adv. initiated the “Art in Science” initiative which links an artist's impression to a scientific publication.2 For this special issue, Calissa Seelen of Caligrafix Productions created a digital artwork that links the different topics described in the review papers in this special issue (Figure 1). I asked Calissa to explain the thought process that led to this illustration, “The greatest scientists are artists as well.” These beautiful words were once used by Einstein and hold a tremendous truth. Science, above else, is a way of creating a better future by generating results that stem from nothing but the researchers’ interesting ideas. Science is an artform and should be valued as one of the greatest gifts we possess as humans. The purpose of science is to comprehend the world around us. Art can be a wonderful translation process of scientific research; showing how scientific results can create a better – and different – future. The two will always be interconnected. This interconnection formed my inspiration for this artist's impression. Many researchers are working on the development of future next-generation analytical technology.

The image gives a futuristic and artistic look at the progress that has been realized to advance the field of analytical chemistry. The background of this image is set in space because to create a future, researchers must be given space to research what keeps their minds occupied today. Every part of the image has multiple ties with the individual review papers in this special issue. It is the chromatographic column at the bottom, that forms the basis of this artwork, which plays a major role in analytical techniques. The force-field explosion radiating from this column connects to three-dimensional objects, representing the important role that irradiation plays in many detection principles. The cube that holds a DNA structure is the only object that reveals its true internal constituents, representative of the search for emerging drug compounds that can affect biochemical pathways. The multifaced shape in this illustration is linked to the search to enhance the structure and chemistry of a monolithic and biomimetic chromatographic support. It is interacting with a crystal-like structure, which is an important aspect of separation techniques. Reducing the size portrays the importance of many engineering efforts, which is exemplified by a spliced spherical object. The top left corner holds a structure that contains an electrical force field, which is related to mass-spectrometry interfacing. The objects are situated in the vacuum of intergalactic space, which links to the high-vacuum condition in mass spectrometry. I hope that we can look forward to a future in which we can create science based on our creative thinking and translate that science through art. In an age where science communication is more important than ever before, I feel very honored to contribute by bringing the scope in a way that is exploring the borders between science and arts.

These review papers in this special issue provide a rapid overview of the latest advances in the technologies highlighted. I was inspired while reading these reviews and expect they will prove to be very valuable for our community, especially for those who are new to these fields. I am very grateful to the authors who contributed and spent their valuable time.

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