TopSolids™ - Accelerated Workflow in Biological Solid-State NMR

Optimum spectral quality and high productivity are guaranteed for both novice and expert users with automated spectrometer adjustment and a wide range of pre-defined protocols.

TopSolids™ is an intuitive, workflow-based software package ideal for solid-state NMR that is custom designed to provide a comfortable access into the delicate setup of probe hardware and complex experiments dedicated to insoluble protein systems and solid samples, e.g. from material science, batteries, catalysis or pharmacy.

Bruker’s second generation of this interactive user interface provides automated, menu-based acquisition and setup of the most enhanced multinuclear multi-dimensional NMR experiments, using an optimum of automated procedure and a comprehensive library of protocols.

TopSolids™ guarantees a secure, robust spectrometer and probe setup and ensures unsurpassed spectral quality by combining optimized acquisition parameters with fine tuning on the actual research sample.

Bruker’s TopSolids™ provides an increased level of convenience to use one of the most vital techniques for understanding the dynamics and structure of insoluble samples with the least user interaction to overcome the requirement for extensive prior knowledge.

TopSolids™ is considered to be the key to unlock solid-state NMR in a much faster and easier manner.

Technical Details

General Features

The general features of the TopSolids™ are as follows:

  • Uniform workflow
  • Intelligent handling of parameters and project
  • Queuing of multidimensional experiments
  • Parameter import from a previous TopSolids project
  • PDF parameter reporting, including information about multidimensional experiments
  • Safety checks to minimize risk of damage for sample and probe
  • Guided preparation of hardware settings (reading a shim file, probe selection, etc.)

NMR System Requirement

The NMR system requirements include:

  • Avance III or newer console
  • Acquisition software TopSpin 3.5.6 (and newer)
  • Recommended for higher level of automation: MAS III unit
  • Recommended for protein applications: BCU cooling unit
  • 4 mm or 3.2 mm solid-state NMR probe (whether double/ triple resonance, SB/WB)

Features for Probe Setup/Maintenance

The key features for probe setup/maintenance are as follows:

  • Useful for regular probe performance tests
  • Probe setup within less than 30 minutes possible
  • Automated spectral referencing
  • Automated z shimming routine
  • Automated determination of 1H and 13C hard pulses
  • Automated quality evaluation of magic angle adjustment and shimming
  • Only two samples needed: adamantine, KBr

Application

Features for Protein Sample

  • Automated processing up to 3D, including phase corrections
  • State-of-the-art pulse program library up to 4D experiments
  • Possibility to optimize parameters on standard samples first to save time (e.g. GB1, fMLF, 15N-labeled glycine, 13C, etc.)
  • Automated optional optimizations of spectral widths, decoupling parameters, carrier frequencies
  • “1-click-optimization” – select the multidimensional experiment of interest and TopSolids automatically detects missing parameters to initialize their optimization
  • Problem-oriented experiment proposals addressing protein backbone assignment and distance measurements

Features for Material Sample

  • Automated basic processing of 2D MQMAS data, including shearing and phasing
  • Ideal for any X nucleus the hardware can measure, including quadrupolar nuclei
  • Automated optimizations of:
    • HX cross polarization (CP) transfer
    • Parameters needed for 1D and 2D MQMAS experiments
    • Low power and high power X pulses

Screenshots and Figures

TopSolids User Interface

Using the new TopSolids user interface to develop a project and prepare hardware settings.

One Click Optimization

The “1-Click-Optimization” is a simplification dedicated specifically to a user without any experience, and who can select the preferred multidimensional experiment from the problem-oriented proposals without taking care about any parameter needed, because the optimization of missing values is automatically started by TopSolids before the experiment is performed.

MQMAS Experiments Using TopSolids

Obtain insights into material samples using TopSolids in MQMAS experiments. After selecting the desired X nucleus, TopSolids guides step by step through the relevant parameter optimizations and setup of the 2D experiment. Automated basic processing of the data results in a 2D spectrum that has already been sheared and correctly phased.

Set Magic Angle Position

The quality of the probe setup is evaluated by TopSolids using automated procedures in order to ensure best hardware performance.

Optional Optimizations

New automated optional optimizations of spectral widths and offsets (left) can dramatically shorten the measurement time of multidimensional experiments and well-set decoupling parameters (right) result in highly resolved spectra.

Parameter Overview

The provided TopSolids PDF report will help keep track about all parameters at any time.

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