Avance 700 MHz Solution NMR Spectrometer

The Bruker Avance NEO 700 MHz is a spectrometer for high resolution NMR application in solution equipped with a superconducting Ascend magnet operating at 16.44 T (700 MHz for 1H nuclei) with very high field stability and excellent helium hold time. Remote connection for monitoring cryogenic liquids levels is available. The superconducting magnet with standard 54 mm bore size is equipped with Electronic Disturbance System (EDS) allowing to attenuate beyond 99.9% EM disturbance frequencies, and high performance Matrix Orthogonal Shim System, designed for optimum homogeneity.


EQUIPMENT

The spectrometer is equipped with:

• Gradient Amplifier Board for Z gradients for gradient shimming with line shape optimization and 3D gradient shimming using the Single-Point Imaging technique;
• Bruker SmartVT temperature control system with resolution better than 5 mK and stability better than 10 mK for a 1K variation of temperature in the room hosting NMR spectrometer, crucial for metabonomics applications, and accurate in-tube sample temperature determination (NMR Thermometer), avoiding signal shift for thermal effects;
• highly integrated ²H lock RF transceiver unit with incorporated 5W RF amplifier for field lock operation on deuterated solvents;
• 2-channel system with two highly integrated RF (TRX 1200) transceiver units (two transmitters and two receivers) with RF signal bandwidth of 5 to 1200 MHz for transmitter and receiver and a 12.5 ns timing resolution. The very fast electronics enable simultaneous changes in amplitude, phase, and frequency in less than 12.5 ns. Each transceiver features 1 Gigabytes of Waveform memory allowing the most complex shapes and sequences to be executed and a 960 MSPS digital up-converter (DUC) for transmit, and a high speed 240 MSPS ADC with a high speed digital down converter (DDC). The analog digital converter provides the acquisition of digitally filtered spectra with up 7.5 MHz sweep width. Extremely high receiver Intermediate Frequency (1852 MHz) ensures perfectly clean spectra free from artifacts, especially for low-frequency nuclei in high fields;
• a linear triple channel high RF power amplifier for X-nuclei, ¹H (and ¹⁹F), and ²H observe and decoupling. It incorporates a fast deuterium ²H lock switch to enable fast switching between ²H decoupling and ²H lock operations. These novel wide-band amplifiers are standard for liquids applications and will provide full coverage of all frequencies with over 100W in the high frequency range and over 500W in the range of heteronuclei
• a highly linear, low noise, GaAs FET transistor technology based preamplifier for ¹H and ¹⁹F observe, ¹H and ¹⁹F decoupling;
• a highly linear, low noise, GaAs FET transistor technology based preamplifier for observe and decoupling of nuclei from ⁵⁷Fe up to ³¹P;
• a cooled automation accessory (SampleCase cooled with 24 easily accessed sample positions) provides secure storage (for temperature sensitive samples too, sample refrigeration to ~6 °C) and rapid NMR sample exchange into the spectrometer, increasing workflow efficiency and sample throughput.

HIGH RESOLUTION PROBES

• PROBE Broad Band Inverse (BBI) 5mm 1H/BB: an inverse broadband high resolution probe fitted with an actively shielded single axis Z-gradient for 5 mm sample diameters. The inner NMR coil is tuned to observe 1H. The outer NMR coil can be tuned for decoupling with any nucleus in the range from 31P to 109Ag. The probe is fitted with a 2H lock channel. It is equipped with automatic tuning and matching accessory (ATM). It is fitted with 2H lock channel. It is equipped with Z-gradient with 5 G/A*cm (> 50 G/cm @10 Ampere), and automatic tuning and matching accessory (ATM). Temperature range from -150°C to +150°C.;
• MICRO PROBE TXI 1.7mm 1H/13C/15N: an inverse triple resonance high resolution probe fitted with an actively shielded single axis Z-gradient for 1.7 mm sample diameter. The probe is optimized for 1H. It can be used for the usual inverse triple resonance experiments and also 13C observation experiments. The probe is fitted with a 2H lock channel. It is equipped with automatic tuning and matching accessory (ATM), Z-gradient with 5 G/A*cm (> 50 G/cm @10 Ampere). It is optimal 1H and 13C mass sensitivity. It features active volume approx. 30 μl, excellent solvent suppression properties, virtually no salt effect, very short pulses on all channels (¹H, ¹³C and ¹⁵N). The sample tubes are transferred into the magnet by use of shuttle. Temperature range from -50°C to +80°C.

HIGH RESOLUTION PROBES

The information that can be obtained includes:

• due to their high mass sensitivity Micro Probes are especially well suited for the investigation of highly soluble compounds that are only available in limited amounts. This is often the case in natural products, but also in body fluids like CSF or blood and urine from rodents or cells;
• needing only small amounts of deuterated solvents helps to keep the overall cost of an experiment low and will also help to get best performance, if solvent suppression is required;
• the small sample volume required results in short pulses that are hardly influenced by the ionic strenght of the sample, making these Probes very attractive for salty samples, like urine.

SOFTWARE

• TopSpin: software for controlling the NMR spectrometer, recording and processing data (1D, 2D, 3D, 4D / nD). NMR data processing possible under WINDOWS, LINUX, or MAC.
• AMIX: a Bruker’s program with a collection of powerful tools that enable to get the most out of NMR data. AMIX provides many integrated routines for statistical and spectroscopic analyses. Productivity for a wide variety of applications, such as metabolomics, small molecules research and mixture analysis are enhanced. Apart from general analysis tools a set of specialized tool-kits are offered for different applications. They may be run individually or in combined mode: straightforward evaluation of multi-modality data up to 4 dimensions; a complete set of Spectra Analysis Tools including spectra algebra, pattern recognition, pattern exploration, high through-put tools, complete peak and multiplet analysis, data matching; a family of data manipulation and data management tools to prepare spectra and build up your own spectra bases; tools for relative or absolute quantification including peak integration by line shape analysis, peak modelling, maximum entropy methods, pattern quantification.
  Applications in Metabolomics: different bucketing methods including import of external tables; PCA, SIMCA, PLS, PLS-DA, PREDICTION; cross-validation and test set validation; analysis of variable distributions to detect up/down regulation; covariance analysis and combined covariance analysis; direct sum formula calculation from mass loadings; combination with profiling results.
  Metabolomic examinations can be handled in a professional way with: full spectra access from scores, influence and Hotelling’s plots; direct linkage between loadings and spectral regions as well as linkage between loadings and spectra bases for identification of compounds; linkage to external attribute table.
• BBIOREFCODE pH7: a metabolite database with 1D/2D reference spectra (1H, JRES, COSY, TOCSY, HSQC, HMBC, 13C) acquired in aqueous solution @ pH 7 for Analysis of body fluids like urine, plasma and other; complete package with 800 compounds. All compounds are supplied with 3D-structure and the spectra are fully assigned.
  AMIX Software provides powerful search algorithms to identify the compounds in the database in mixture spectra. This allows the assignment of unexpected signals in spectra from screening applications and the identification of the components.