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1. Technical Specifications
for research NMR spectrometers configured specifically for the requirements at the KBC NMR Centre, Umeå University, Sweden


The NMR equipment shall be used for molecular research on the Umeå campus. The group of NMR spectrometers shall together enable NMR measurements with highest demands on the following topics: biomolecular liquid- and solid-state double- and triple resonance NMR, NMR-based metabolomics, drug discovery through NMR screening, small-molecule NMR, materials science, and environmental NMR applications.

1.1 High field NMR spectrometer (≥ 800 MHz 1H frequency)


Purchase of a high-field NMR spectrometer.

We request a high-field NMR spectrometer equipped for liquid- and solid state NMR and for metabolomics. The system must in the configuration as delivered fulfill the following minimum specifications for each component. Whole system must have exceptional stability for long multidimensional measurements. Please, indicate optional functions and relevant performance values that you consider to be of interest to us.

1.1.1Functionality


The following table shows the minimal specifications and functionality of interest. It is of importance that solid-state and liquid-state NMR investigations (including metabolomics) can be performed in a user-friendly software environment.


No.

Requested functionality

Fulfilled [X]

Description (Sequence + post-processing)

1

Biomolecular multidimensional liquids NMR including at least 1H, 13C 15N nuclei, and using 1H or 13C detection







1.1

Pulsed field gradients







1.2

Automatic shimming







1.3

Automatic tuning & matching for all liquid-state probes and applications







1.4

Quantitative 2H NMR, state mass sensitivity for 1 mg D2O, 0.5 Hz line broadening, 10 ppm noise



















2

Metabolomics and drug screening with sample changer



















3

Full MAS capability







3.1

Easy sample change, i.e. without probe removal







3.2

Multidimensional biomolecular solid-state MAS NMR including at least 1H, 13C 15N nuclei, optimized for membrane proteins



















4

Capability for absolute signal quantification, “ERETIC” or equivalent



















5

Data Processing: List functionality






1.1.2 Superconducting NMR magnet


The following table states the magnet’s minimum criteria.
The system’s magnet must have a field strength of 18.8 T (800 MHz 1H frequency) or higher, have a minimum bore diameter of 54 mm, must be self-shielding for magnetic fields. For multidimensional experiments, the magnet must achieve very high stability, including a vibration damping system. The necessary ceiling height for the magnet should not exceed 3.68 m.



Criterion

Fulfilled yes/no or value

Magnetic field strength, Tesla




Active shielding




Bore diameter




Maximum drift, Hz/h




Antivibration system




Low-current room-temperature shim system




Number of cryo shims




Size of 5G axial and radial stray field, m




He consumption




Nitrogen consumption




He refill interval




Nitrogen refill interval




He and nitrogen control with alarm function




Magnet size




Magnet weight




Ceiling height for installation and operation






1.1.3System Electronics


The console electronics must be able to perform all current liquid-state and solid-state pulse sequences, and must achieve highest stability, including a temperature control unit. It must be equipped at least according to the following minimum requirements:

At least 4 channels with fully digital frequency and phase generation, covering the full frequency range. Linearity of the transmitter phase required at different amplitudes: phase deviation of less than +/- 0.5 degree with amplitude change by 90dB. Indicate the event time for 90 dB frequency and phase change, and the timing resolution for pulses and delays. The output power for each channel must be fully software controlled with a range of at least 110 dB; >85dB by highly linear digital modulation and 90dB by fully software controlled attenuation in 0.1d B steps. Each channel must be equipped with at least 8 MB waveform memory for shaped pulses. The routing between the frequency sources and the amplifiers should be under software control.

4 linear amplifiers as follows
1. Frequency range 19F - 1H, minimum 300 W pulse power, suitable for solid-state
applications
2. 2 amplifiers covering the frequency range including all heteronuclei up to 31P,
minimum pulse power 500 W
3. 2H amplifier, minimum 250 W pulse power.
Please specify CW output power for all amplifiers.

The preamplifier system must be compatible with conventional and with cryogenically cooled probes and should include:
- a highly sensitive 1H preamplifier suitable for liquids and solids applications
- broadband preamplifiers to allow tuning of two hetero-channels without re-wiring, suitable for liquids and solids applications
- preamplifiers for 2H and 19F, both observation and lock.

The receiver system must allow for a selectable observe bandwidth with digital filtering of at least 5 MHz, should at 10 kHz observe bandwidth allow for an effective dynamic range of at least 21 bits, and should include a wobble mode for tuning&matching of the probe.

The system must be equipped with 2H and 19F lock circuits, with possibility for software-controlled optimization of feedback parameters.

Computer control: The system must include a state-of-art workstation at time of delivery comparable to a today standard of least quad core processor, 8GB RAM and 1TB HDD, 24” 1920x1200 monitor. Specify network connectivity (TCP/IP, high-speed network interface card).

1.1.4Liquid-state NMR probes


All probes shall be equipped for automatic gradient shimming and automatic tuning & matching, actively shielded pulsed field gradients, and be usable at least in the temperature range 0 – 80 °C. The cryo unit operating the cryogenically cooled probes should be equipped with a recycling unit for liquid nitrogen. We request

- one 1H, 13C, 15N cryo probe with actively shielded pulsed field gradients, optimized for demanding multidimensional experiments for structure determination and dynamics studies (e.g. 15N relaxation dispersion). The probe shall be optimized for 1H detection with possibility for 13C detection. Specify 1H and 13C sensitivity, non-spinning 1H and 13C lineshapes, B1 homogeneities, pulse lengths for hard pulses and decoupling, salt sensitivity of probe performance, strength and recovery time of pulsed field gradients.

- one probe optimized for quantitative 2H NMR with 1H decoupling and 19F lock. Specify 2H sensitivity, non-spinning 2H and 1H lineshapes, B1 homogeneities, pulse lengths for hard pulses and decoupling, strength and recovery time of pulsed field gradients.

1.1.5Automatic sample changer for metabolomics and drug screening


We have the following requirements on the automatic sample changer system:

* it must hold at least 60 samples.

* it can accommodate tubes with a diameter of 1.7-10 mm and a length of 10-19 cm.

* the software for sample changer control must be included and should be well integrated with the spectrometer software.

* it must be versatile, allowing easy access to single samples for manual operation as well as fully automatic acquisition (including automatic tuning&matching and shimming) and processing.

* spinners (for 5 mm tubes) should be included.

* include software and databases spectroscopic and statistical analysis of spectra.

* It must be possible for the customer to move the sample changer between the high-field and medium-field spectrometers.

1.1.6Accessories for solid-state MAS NMR


RF amplifiers (s. above), suitable for solid state MAS NMR

CP MAS controller with computer monitored and controlled sample speed. Easy sample exchange preferably automatic sample eject.
CP MAS probe with 1H, 13C, 15N channels suitable for structure determination of uniformly labeled proteins including membrane proteins, with a spinning rate of over 20 kHz, and usable in the temperature range of at least -80C to +80 C.
Each MAS probe should be delivered with a minimum of 10 rotors.

1.1.7Tools for pulse programming


The standard user interface must be flexible and intuitive, which also applies to the environment for pulse programming and control. Flexibility is ranked above user-friendliness. We request a tool for pulse sequence programming that enables us to:

  • Modify existing basic sequences, and

  • develop own pulse sequences.

Floating licenses for simultaneous processing by 20 users should be included.


1.2. medium-field NMR spectrometers

We request three NMR spectrometers, which must in the configurations as delivered fulfill the minimum specifications for each component. The whole systems must have very high stability for long multi-D measurements. The instruments shall be equipped to offer the following minimum functionality, please indicate optional functions and relevant performance values that you consider to be of interest to us.
Routine and multinuclear liquid-state NMR applications (currently 400 and 500 MHz narrow bore):
1D and 2D homo- and heteronuclear liquid-state NMR of small molecules, covering 1H and heteronuclei including 19F; spectra of “exotic” nuclei.
solid-state NMR (currently 500 MHz narrow bore and 400 MHz wide bore):
double- and triple resonance solid-state NMR applications in structural biology, materials- and environmental sciences, performing liquid-state NMR experiments under magic angle spinning (high-resolution MAS).

biomolecular NMR (currently 600 MHz narrow bore):
One NMR spectrometer equipped for biomolecular liquid-state NMR of proteins and nucleic acids, including HCN and HCP cryogenic probes.
For these systems, we offer to trade in 4 existing spectrometers. The amount offered for the existing system will be added to the amount at our disposal. Alternatively, magnets and some equipment listed below may be refurbished to achieve the requested functionality. The instruments are equipped as follows:

1. A chemagnetics CMX400 system with 6 solid-state probes, extensive imaging accessories and a non-shielded Oxford 400 MHz wide bore (89 mm) magnet.

2. A 400 MHz instrument including a 52 mm-bore shielded magnet, a Bruker DRX console and two liquids probes (13C_observe, 1H, 19F and 1H_observe, 13C, BB)
Should be equipped with a liquids probe with 1H, 19F and BB observe ability

3. A 500 MHz instrument including a 52 mm-bore non-shielded superconducting magnet, three-channel Bruker DRX console with solids accessories, 4 mm HR MAS and 4 mm HX CP MAS equipment, 4 liquid-state NMR probes for biomolecular NMR and NMR of heteronuclei.

4. A 600 MHz instrument including a 52 mm-bore non-shielded superconducting magnet, a four-channel Bruker DRX console, 1H-optimized HCN and HCP cryo probes, the latter with 13C detection capability and several room-temperature probes.

Under the assumption that the distribution of functionality among the instruments does not need to change; the following table lists the requested functionality for the three instruments. Suggestions for other configurations are welcome. For all new equipment, please state specifications as under points 1.1.1.-1.1.7.

No.

Requested functionality

Fulfilled [X] / list functionality

1

400 MHz instrument: two channel liquid-state NMR




1.1

1D and 2D 1H, 19F and heteronuclear NMR with automatic tuning & matching, shimming and pulsed field gradients




1.2

As option: Sample changer for drug screening













2

500 MHz instrument: three channel machine for fully functional liquid and solid state triple resonance NMR:




2.1

Capability for solid-state NMR, including MAS and at least 300 W 1H and 500 W X linear pulse amplifiers (minimum requirement), temperature range at least down to -50 °C




2.2

solid-state NMR:

for each probe state temperature and frequency range; and pulse lengths, possible decoupling strengths, and sensitivities for different nuclei.

- 4mm HR MAS Probe 1H/broadband, with pulsed field
gradients

- 4 mm MAS probe. 1H/14N-31P

- the 4 mm probes should be compatible with a sample
changer for solid-state rotors

- triple resonance speed MAS probe: 1H/X/Y, minimum
spinning rate 30 kHz

- 7 mm MAS probe: 1H/broadband including 14N for
biological and environmental samples.

- Static 5-10mm wideline H/X Probe




2.3

Solution NMR: Triple resonance NMR capabilities covering 1H, 13C, broadband nuclei; pulsed field gradients




2.4

NMR of “exotic” nuclei (e.g. Vanadium, platinum, 14N)













3

600 MHz instrument: Three-channel instrument for biomolecular liquids NMR and metabolomics/screening




3.1

HCN and HCP cryo probes with pulsed field gradients, at least one equipped with automatic tuning&matching and automatic shimming




3.2

The sample changer for metabolomics and drug screening requested in point 1.1.5 must be user-movable between the 600 and ≥800 MHz instruments






1.3 Acceptance protocol

List protocols that will be used for acceptance testing of the total delivery.

1.4. Training


We request detailed offering regarding on-site training of (i) technicians who will operate and maintain the spectrometers and (ii) end-users who will apply the spectrometers in their research. Specifically we want the tenderer to address the following points and state what is included as part of the delivery and what will be at additional cost.
1.4.1 Initial training course for technical personnel. (Running the system, maintenance). The engineers should be trained in such a way that they are able to perform all preventive and corrective maintenance on the instrument.
1.4.2 Initial training course for end-users (measuring techniques and protocols, pulse sequence programming, different structural and functional information that can be recorded, processing)
1.4.3 Follow-up courses for technicians and end-users (new software functionality, new pulse sequence programming environment or tools, etc.)

1.5. Support (software and hardware)


We request detailed offering regarding support on both hardware and software. Specifically we want the tenderer to address the following points and state what is covered by the warranty (incl. on-site support) and what will be at additional cost:

1.5.1 Support for systems and application software


1.5.2 Service time for on-site support

1.5.3 Service time for telephone support

1.5.4 New releases of software

1.5.5 How to deal with hardware failure (coils, gradient system, magnet, etc.)

1.5.6 Diagnostics

1.5.7 Repair

1.6. Offer Package


We ask the suppliers to give us an offer comprising the items as described.

We request the possibility to purchase the following optional items at a rebated price. Please state rebate relative to list price and duration of validity of the rebated offer:
1. Additional sample changer for at least 400 samples, installable on the 600 or high-field
instrument
2. A cryogenic liquid-state probe optimized for 13C detection.

3. A 1.7 mm cryogenic triple resonance probe

4. A 2.5 mm Double-resonance broadband CP-MAS probe for the high-field instrument

5. A sample changer for solid-state MAS NMR samples, which should fit 4 mm rotors for
semi-solids and solids, on the 500 MHz instrument, a set of rotors for the sample changer

6. A liquids probe for observation of X nuclei, 1H decoupling, 2H lock, pulsed field gradients

1.7. Service contract


We request options for service contracts, which should include maintenance of wearing parts, and software update, once the warranty period is over.

1.8. General specifications


  • All units will be “exposed” to several users (after a training period) thus robustness, ease of operation will be taken into consideration.

  • Service routines will be stressed and must be well documented.

  • All equipment should be in compliance with Swedish Regulations

  • Each item must meet the specifications given.

  • If more than one quench should occur during installation, the manufacturer bears the additional costs.



1.9. Alternative proposals

Include any alternative proposals you wish to submit for consideration, and their costs.


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