800 MHz NMR spectrometer (for liquids, with cryogenic probes)

在海洋环境化学与生物研究所（奥尔登堡大学），微生物相互作用和全球元素循环是主要的研究主题。在这项研究中，我们进行了一次从分子和单细胞到生态系统和全球生物地球化学循环的大规模航行。海洋中发生在亚微米尺度上的过程最终累积成行星尺度效应。全球一半的光合作用和呼吸是由海洋中的单细胞生物进行的。海洋中的所有生物都排泄溶解的有机物（DOM）。尽管DOM是微生物生命的基础，但它所含的碳比陆地上的全部生物量还要多。这种积累的原因尚不清楚。DOM是海洋地质代谢组，是小分子代谢产物及其非生物转化产物的总和。地理代谢组是已知的最复杂的混合物之一，由数百万种化合物组成。计划中的核磁共振应用的一个主要焦点是海洋地质代谢组及其前体的结构分析，即海洋生物的外代谢组和内代谢组。传统的生化分析只解决了深海地质代谢组中所有化合物的<1%的结构，因为它是一个很大程度上不可分割的混合物。目前，我们的主要工具是超高分辨率质谱，结合多元统计和数值模拟。迄今为止，这种方法产生了最全面和详细的基因组分子数据。然而，质谱法只能提供基本的结构信息。由于缺乏足够的结构数据和量化标准，因此无法分辨同分异构体，并且通常无法对单个DOM成分进行量化。高场核磁共振克服了许多这些关键的限制，并产生了与质谱法高度互补的信息。与超高分辨率质谱法相比，核磁共振光谱法的一个内在缺点是灵敏度和分辨率低。地理代谢组的大量单个化合物导致信号展宽和重叠，导致一维核磁共振光谱中无法分辨的信号。二维和三维高场核磁共振即使在复杂混合物中也能有效地分辨出离散的结构特征。这种详细的结构信息是任何其他分析技术都无法获得的。因此，最高的分辨率，灵敏度和获得较长的仪器时间是我们研究的主要先决条件。高场核磁共振光谱仪将嵌入奥尔登堡大学的一个新的“地理代谢学中心”，这将是世界上独一无二的。我们有一个公平和开放的用户概念，通过这个概念，40%的新设施将提供给来自海洋和地球科学的外部用户，以及来自该地区和世界各地的医学、药理学、生物化学和其他学科的外部用户。

At the Institute for Chemistry and Biology of the Marine Environment (University of Oldenburg) microbiological interactions and global element cycles are main research themes. For this research we engage in a voyage through scales, from molecules and single cells to ecosystems and global biogeochemical cycles. Processes occurring on the sub-micrometer scale in the ocean ultimately accumulate to planetary scale effects. Half of global photosynthetic production and respiration is carried out by unicellular life in the ocean. All organisms in the ocean excrete dissolved organic matter (DOM). Despite being a foundation for microbial life, the DOM reservoir contains more carbon than the entire biomass on land. The reason for this accumulation is unknown. DOM is the marine geometabolome, which is the entirety of small molecule metabolic products and their abiotic transformation products. The geometabolome is one of the most complex mixtures known, consisting of millions of compounds. A main focus of the planned NMR applications is the structural analysis of the marine geometabolome and its precursors, i.e. the exo- and endometabolomes of marine organisms. Conventional biochemical analysis solved the structure of only <1% of all compounds in the deep-sea geometabolome because it is a largely inseparable mixture. Currently, our main tool is ultrahigh-resolution mass spectrometry, combined with multivariate statistics and numerical modelling. To date, this approach yields the most comprehensive and detailed molecular data of the geometabolome. However, mass spectrometry provides only basic structural information. Isomers are not resolved, and the quantification of individual DOM constituents is usually impossible because we lack sufficient structural data and as such standards for quantification. High-field NMR overcomes many of these crucial limitations and yields highly complementary information to mass spectrometry. An intrinsic drawback of NMR spectroscopy, compared to ultrahigh-resolution mass spectrometry, is its low sensitivity and resolution. The large number of individual compounds of the geometabolome causes signal broadening and overlap, leading to unresolved signals in one-dimensional NMR spectra. Two- and three-dimensional high-field NMR is powerful in resolving discrete structural features even in complex mixtures. This detailed structural information is not accessible with any other analytical technique. Highest resolution, sensitivity and access to long instrument time are therefore main prerequisites for our research. The high-field NMR spectrometer will be embedded in a new “GeoMetabolomics Center” at the University of Oldenburg, which will be unique worldwide. We have a fair and open user concept through which 40% of the new facility will be available to external users from the marine and geosciences, but also from medicine, pharmacology, biochemistry, and other disciplines in the region and worldwide.