使用正交方法进行快速麻醉分析
对非法毒品的检测是全球执法机构的持续战斗。麻醉品分析中的关键挑战包括明确的识别和可疑物质的正确量化。生成的数据还必须足够强大，以便在法律程序中提交。
有两种主要的物质类别：已知的经典非法药物（如可卡因）（仍然很常见）和新出现的物质 - 旨在模仿经典药物，但也通过改变的化学结构避免检测。这些衍生物被称为新的精神活性物质（NP）。这些物质无法使用传统方法轻松识别，并且由于这些NP是不受控制的且快速变化的，因此基于标准的库方法通常不合适。
这个常数出现新的物质导致the birth of The NPS Data Hub in My 2017 - a peer reviewed, non-commercial, analytical data sharing platform for law enforcement agencies, currently with around 440 users. It is operated by the National Institute for Standards and Technology in the United States, by the Federal Criminal Police Office in Germany, and by the Drug Enforcement Administration in the United States.
Orthogonal Approaches to NPS Analysis
Bruker为法医应用提供了最广泛的分析技术。这种具有全球独特的解决方案使Bruker成为法医世界中使用的正交方法的唯一一站式服务。核磁共振（NMR）和质谱法（MS）是两种常用的麻醉分析方法。这些方法基于根本不同的科学原则，因此提供了确定的认同。
Both of these techniques are widely used in a complimentary way, exploring different aspects of one analytical mission. Another approach is the use of orthogonal methods - two different technologies operating on fundamentally different working principles, used to explore the same aspect of a question.
Identification and quantification by orthogonal methods like MS and NMR significantly reduces false positive or false negative results. Data acquired via orthogonal methods is robust enough for legal proceedings, so legislation in most countries requires orthogonal methods to be applied.
Toxtyper MS分析
布鲁克can provide all the equipment required for this robust approach to NPS characterization. Toxtyper is a user-friendly, ready-to-use LC-MSn solution designed for drugs and toxicology screening, able to complete a single analysis in 11 minutes. Toxtyper operates in a data-dependent MSn mode without polarity switching. Compounds are identified using spectral library matching using open libraries that can be added to by the user. Toxtyper provides semi quantitative results, including the option for automated sample preparation using Online SPE.
The software is able to work with a wide range of sample and library types; for example CIF materials, SAP libraries (allowing simultaneous screening and semi quantification in the same run) and complex profiles such as synthetic cannabinoids and screenings where substances are totally unknown, utilizing external databases such as ChemSpider, CABI or Capcom alongside tools like maxtrac to achieve this. Reports can be generated as PDFs and sent via e-mail.
The Fourier 80 Benchtop NMR & Fourier CrimeLab
NMR适用于广泛的应用，包括对可疑物质的法医鉴定和量化，食物掺假分析，化学战剂和炸药分析以及固体废物分析。布鲁克（Bruker）为全球40多个法医当局提供服务，拥有80多种落地NMR系统。
布鲁克（Bruker）的台式NMR系统于2019年介绍给欧洲市场，利用60多年的经验将NMR重新构想为紧凑，跨决策格式，并使该关键技术可用于更广泛的实验室。
With a benchtop system, new infrastructure is not required – the NMR system can be installed in a fume hood or on a bench. The Fourier 80 also offers optimum cost of ownership due to the implementation of a cryogen-free permanent magnet design.
Fourier CrimeLab is the forensic version of Bruker's latest Fourier 80 Benchtop NMR system in combination with dedicated software tools and workflows specifically designed for forensic applications; allowing users to harmonize methods across high and low field NMR systems, while having full access to the TopSpin pulse program library.
Compatibility is important, because forensic laboratories commonly work together to create new workflows and train one another on these new approaches – particularly when dealing with NPS which may not be available in standard libraries.
A Typical NMR Workflow
NMR以其在结构阐明，结构验证，识别和量化已知或未知物质的作用中而闻名。NP通常与已知的分子高度相似，但有些变化。这些差异通常在NMR光谱中可见，采用涉及质谱法的正交方法可以促进稳健的分化。
任何NMR工作流程都始于样品制备，这仅涉及将2ml的无毒溶剂（如水）添加到数十毫克的样品中。
在台式上使用Topspin和现有的落地系统，使方法从现有的（Inter-）国家工作流程中简单转移。Goscan工作流程中包含的数据处理也可以使用预定的，可自定义的例程进行，可在傅立叶Crimelab上使用。
可疑物质的识别涉及将生成的频谱与内部数据库，非商业跨权限数据库（如NPS-Datahub）或这两种方法的组合匹配。
量化混合物中的任何化合物都不需要任何化合物特定的参考物质，因此NMR适合此任务；特别是在考虑新NP的多产出现时。
Components to not need to be separated before detecting, speeding up the whole process and reducing time-to-result from sample preparation to visualization to a matter of minutes.
结论
NP的出现是全球当局的持续问题，准确的识别和量化NP需要一种适当的方法才能在法院案件中使用。正交方法提供了理想的解决方案，使用了两种根本不同的技术来研究相同的物质，从而减少了假阳性和假阴性结果。
Utilizing Bruker’s Toxtyper solution for MS analysis, alongside Bruker’s Fourier 80 NMR system and Fourier CrimeLab for NMR analysis offers a robust, reliable solution for the identification and quantification of NPS.
