SOW FOR RFQ.docx

Request for Quotation Number 1333ND24QNB640404 Statement of Work

TITLE: Procurement of a New 600 MHz Nuclear Magnetic Resonance Spectrometer

BACKGROUND

The Organic Chemical Measurement Science Group (OCMSG) within the Chemical Sciences Division (CSD) of the Material Measurement Laboratory (MML), National Institute of Standards and Technology (NIST) is responsible for chemical measurements leading to the certification of many Standard Reference Materials (SRMs) and Reference Materials (RMs).

Nuclear Magnetic Resonance (NMR) spectroscopy is a core analytical capability supporting a wide range of SRMs and RMs in the Group, a general-purpose research tool used by CSD, and an NMR facility that serves other divisions on the NIST Gaithersburg campus as well, including the Biosystems and Biomaterials Division and Materials Science and Engineering Division.

The unique nature of quantitative NMR as a primary relative method is heavily utilized in the development of clinical standards and primary standards that ensure SI traceability for the majority of NIST’s organic measurements. As a research tool, NMR currently serves numerous application areas including metabolomics studies related to biological extracts from human fluids, studies of food and natural product extracts, forensics, kinetics and reaction monitoring, contaminant determinations and polymer analysis.

The OCMSG operates a high field 600 MHz NMR liquids spectrometer that is reaching its end of service lifetime and is seeking to replace this instrument while expanding both the sensitivity and capabilities. A helium (He) cryogenically cooled probe (cryoprobe) optimized for 1H, 19F and 13C will greatly enhance sensitivity that is essential to enable the growth of NIST’s efforts in next generation SRMs/RMs related to food safety and product authentication, improving non-targeted analysis (NTA) techniques by developing well-characterized RMs for workflow optimization, development of microbial community-based reference materials, characterization and quantification of perfluorinated standards, fluoropolymers and related precursors, and greatly improving the capabilities the core qNMR function of this instrument to permit working with significantly smaller quantities of often costly reference compounds.

The addition of a magic angle spinning (MAS) probe for semi-solids analysis will allow for expansion of measurement capabilities to sample types NIST has not previously had the ability to analyze with NMR including foodstuffs, tissues, gels, polymers and other heterogeneous mixtures.

SCOPE OF WORK

The Contractor shall fabricate, deliver, install and test a Bruker AVANCE NEO 600 MHz NMR spectrometer system, triple resonance helium (He) cryogenically cooled probe (cryoprobe) for liquid sample analysis with high sensitivity for 1H, 19F and 13C and an HX high-resolution cross-polarization magic angle spinning (CPMAS) probe for analysis of semi-solid samples, or equivalent, including all of the following components and meeting all of the specifications identified herein.

Required Components:

All part numbers are Bruker part numbers.

CMP-MAS probe

with TopSpin 4 NMR Software

The Bruker AVANCE NEO 600 MHz NMR Spectrometer shall be delivered as one integrated system.

SYSTEM REQUIREMENTS

Hardware Requirements NMR Magnet The NMR Magnet shall include all of the following components and meet all of the following specifications:

· Field Strength of 600 MHz (14.1 Tesla).

· Superconducting magnet with Liquid Helium (LHe) and Liquid Nitrogen (LN2) Cooling.

· High field stability (drift rate <10 Hz/hr).

· Standard 54 mm bore size.

· Efficient cryogen system with the following minimum hold times

1. LHe hold time > 300 days.

2. LN2 hold time > 15 days.

· Cryogen monitoring with LHe level detection.

· Low LHe level alarm (visible or audible alarm and configurable for email notification) to notify the user prior to reaching critically low helium levels.

· Low fringe fields in vertical and horizontal direction. 5 Gauss (0.5 millitesla) stray field must not extend beyond the following:

1. Horizontal (1.0 m from center of cryostat).

2. Vertical (1.5 m from center of cryostat).

· Cryo-shim system with gradient shimming capability.

· Pneumatic sample load/eject/spin system.

· Include magnet stand with active pneumatic (air piston) vibration-isolation system.

· Include compatible LHe transfer line.

AVANCE NEO NMR Console The NMR Console shall consist of all of the following and meet all of the following required specifications:

· A linear amplifier/transmitter subsystem with three (3) independent RF channels that includes all of the following:

1. A 1H/19F channel with a high-band pulse amplifier transmitter system with 100 W and 500 W maximum pulse power amplifiers for 1H/19F observe and decoupling.

2. Two broadband channels with linear pulse amplifiers/transmitter systems with a frequency range of at least 10 MHz to 600 MHz and maximum pulse power for X-frequency observe and decoupling of 500 W or better.

3. A radio frequency (RF) signal generation and frequency control unit for creating the phase, amplitude, and frequency of NMR excitation signals.

a. The RF generator shall have a bandwidth of 1200 MHz with a digitizer dynamic range of at least 23-bit for a sweep width of < 6 kHz.

4. The RF generator shall compress data and provide digital filtering in real time with no observable folding of noise or decoupling leakage peaks.

5. Each RF channel shall have simultaneous double irradiation capability.

6. The event time for digital setting of frequency, phase and amplitudes shall be 15 ns or lower.

7. The waveform memory for synchronous or asynchronous pulse shaping, phase modulation, and arbitrary pulse generation shall be at least 1 GB.

8. The timing resolution in data acquisition shall be < 15 ns.

· A 1H/19F preamplifier and two preamplifiers for the broadband RF channels.

· A deuterium (2H) lock channel with 2H preamplifier with a digital lock frequency generator, a digital quadrature lock receiver and a real-time lock regulator to provide magnet stability across all solvents.

· Digital quadrature detection and analog-to-digital converter with high dynamic range and sampling rate.

· A single-channel gradient control unit for generating and controlling a single magnetic field gradient channel in real time.

· One gradient amplifier for generation of gradients up to 10 Amp, 50 G/cm

· A console cabinet with complete RF shielding to house the subsystems and amplifiers described above.

· A variable temperature control unit shall be provided for heating/cooling the sample in the probe with a temperature accuracy of at least ± 0.1 °C, with an achievable temperature range (specific probe limitations notwithstanding) of at least -100 °C to +150 °C. All accessories for achieving and maintaining stable temperatures within this range shall be included.

· The console shall include all associated components required for solid/semi-solid state NMR analysis with the CPMAS probe specified below.

Probes The Contractor shall provide the following two (2) Probes:

· One (1) triple resonance, inverse detection, cryocooled probe for 5 mm samples with the following minimum requirements:

1. Optimized for high sensitivity with 1H or 19F observation (see 6 below for sensitivity requirements) with 13C decoupling and 15N or 13C observation with 1H or 19F decoupling.

2. Equipped with 2H lock channel and Z-gradient coil.

3. Equipped for automated computer control of tuning and matching.

4. The cryoprobe shall have the option to be removed without ‘warm up’.

5. Minimum sample temperature range between -40ºC and 150ºC.

6. The cryoprobe shall have the following minimum nuclei specific performance specifications for Signal/Noise:

a. Sensitivity for 1H shall be ≥ 6500: 1 with a 0.1 % ethylbenzene (EtBz) in chloroform-d standard sample.

b. Sensitivity sucrose shall be ≥ 1000:1 with a 2mM sucrose in H2O/D2O standard sample.

c. Sensitivity for 13C shall be ≥ 1000:1 with a 40 % dioxane/60 % benzene-d6 standard sample (ASTM standard sample).

d. Sensitivity for 19F shall be ≥ 4500:1 with a 0.05% α,α,α -Trifluorotoluene (TFT) in chloroform-d standard sample.

e. The 90° pulse widths for the following nuclei shall be:

· 1H ≤ 8 microseconds (µs) with a 0.1 % EtBz in chloroform-d standard sample.

· 13C ≤ 12 µs with a 40 % dioxane/60 % benzene-d6 standard sample (ASTM).

· 19F ≤ 11 µs with a 0.05% TFT in chloroform-d standard sample.

· 15N ≤ 35 µs with a 90 % formamide standard sample.

f. The 1H non-spinning lineshape shall be ≤ 0.7/7/14 Hz (50 %/0.55 %/ 0.11 %) with a 0.3% chloroform sample

7. The Z-gradient strength shall be ≥ 60 G/cm at 10 Amp

8. The Z-gradient recovery time shall be ≤ 100 µs at 90 % signal amplitude

· One (1) double resonance, high-resolution cross-polarization magic angle spinning (CPMAS) probe designed for the analysis of solid and semi-solid (gels, emulsions, foodstuffs, tissues, etc) samples with the following minimum requirements:

1. Optimized for 1H or 19F observation with the broadband X channel for decoupling or observation tunable from 31P to 15N.

2. Rotor size of 3.2 mm or 4.0 mm

3. Automated tuning and matching.

4. Automated magic angle adjustment

5. Minimum rotation frequency ≥ 15 kHz

6. Minimum sample temperature range between -30ºC and 80ºC.

7. Compatible with the autosampler specified above

8. Sample rotors (minimum 3) including any accessories needed to use with autosampler.

Cryoplatform

· The Cryoplatform shall meet all of the following requirements:

1. Include a complete closed loop system for cryo-cooling the cryoprobe.

2. Include a cryo-cooling unit, a water-cooled helium compressor designed for indoor operation, helium gas pressure line, and a helium gas cylinder line.

3. Include a transfer line support to absorb vibrations.

4. Include a mounting system for He Cyroprobe.

MAS Control Unit

· The MAS Control Unit shall meet the following requirements:

1. Capable of controlling magic angle spinning speeds of 1 kHz to 110 kHz.

2. MAS accuracy of within +/- 1.5 Hz and MAS drift rate of no greater than 1.5 Hz.

3. Accurate control of MAS probe input drive and bearing gas pressure to actively regulate MAS rate.

4. Manual and automatic MAS spinning control.

5. User adjustable MAS acceleration and deceleration rates.

Autosampler

· The Autosampler shall meet the following requirements:

1. A 24 sample minimum capacity.

2. Cooling capability to maintain samples at down to at least 6 °C.

3. Allow for sample loading/unloading to/from random positions.

4. Compatible with sample tubes or rotors in spinners or shuttles for all probes specified above.

Workstation

· The Contractor shall provide a Workstation that meets the following requirements:

1. A desktop computer design.

2. A quad-core CPU 3.8 GHz processor or better.

3. At least 16 gigabyte (GB) RAM.

4. A 2 TB 7200 RPM HDD or better.

5. Windows 10 or higher operating system.

6. A monitor with at least a 24" color display.

7. The workstation shall connect to the instrument controller via TCP/IP Ethernet.

Software Requirements

· The Contractor shall provide one (1) copy of the latest version of the vendors software that provides full control of the NMR system and all accessories as described above.

· The software shall, at a minimum, be capable of:

1. NMR data acquisition in arbitrary dimensions, with guided acquisition setup.

2. Automated data acquisition via the autosampler.

3. Standard NMR data processing of up to 5D spectral data sets.

4. Processing of non-uniformly sampled (NUS) data sets.

5. Relaxation analysis (T1/T2).

6. Solid-state lineshape analysis.

Manual The Contractor shall provide one (1) electronic and one (1) paper copy of the operations and maintenance manual for the NMR spectrometer system and that covers safety precautions, system descriptions, standard procedures, recommended parameters, monitoring and maintenance, and troubleshooting.

DELAYED MANUFACTURING OR DELIVERY

NIST will be responsible for renovating the laboratory space for the spectrometer system prior to installation. NIST is working with its internal colleagues to schedule the laboratory renovations, however, know that renovations will not be completed prior to award.

The Contractor will be required to delay manufacturing/shipping for a period of time that may be as short as one month from the date of award up to six months from the date of award. The Contracting Officer’s Representative (COR) will communicate with the Contractor regarding the status of the NIST laboratory and provide written notification to the Contractor when manufacturing can commence and/or the timeline when delivery can be completed.

If the Contractor chooses to manufacture the equipment upon award, the Contractor shall be responsible for storing the equipment, at their sole expense, until such time that NIST can accept delivery of the equipment.

INSTALLATION

Upon notification by the COR, the Contractor shall install the NMR spectrometer on the Gaithersburg campus of NIST located at 100 Bureau Dr, Gaithersburg, MD.

Installation shall include, at a minimum, uncrating/unpackaging of all equipment, rigging (as appropriate), set-up and hook-up of the system, demonstration of all required specifications, and removal of trash.

Installation shall take place during normal business hours, between 8:30 am and 5:00 pm Eastern Time, Monday through Friday, except Federal Holidays, and must be coordinated with the COR and other NIST authorized personnel.

The instrument must meet all requirements identified herein upon completion of installation.

Use of NIST-Owned Probes The Government prefers, but does not require, that the following two (2) probes be installed and setup on the new instrument. These probes are currently used on the Bruker Avance II 600 MHz NMR operated by the OCMSG. These probes are not required to meet the original performance specifications for these probes:

· One (1) double resonance room temperature 5 mm broadband observe probe with Z-gradient and automated tuning and matching (Model: PA BBO 600SB BB-H-D-05 Z, Part Number: Z847801, Serial Number: 00033).

· One (1) double resonance room temperature 5 mm broadband inverse probe with Z-gradient and automated tuning and matching (Model: PA BBI 600SB H-BB-D-05 Z, Part Number: Z814601, Serial Number: 00028).

The Contractor, in consultation with the COR and other NIST-authorized personnel, shall determine the performance risk, if any, to the new system that use of these probes may introduce. The Government does not anticipate that installation of the probes will negatively impact the performance of the new system, nor should installation of these probes have any impact on the warranty and/or subsequent maintenance agreement.

Decommissioning of NIST-Owned NMR Spectrometer The Government prefers, but does not require, that the existing Bruker Avance II 600 MHz NMR spectrometer system owned by OCMSG, be decommissioned and relocated within the same building, prior to installation of the new instrument. The new instrument will be replacing this system and will be located in the same laboratory space.

The Contractor must conduct an assessment of the existing system to determine all necessary steps prior to decommissioning to identify any hazardous materials or components requiring special handling. The existing NMR system must be safely powered down, disconnected from all power sources and utilities, dismantled and transported to another location in the building. All liquid helium and liquid nitrogen must be removed in accordance with safety regulations and environmental guidelines.

TRAINING

The Contractor shall provide onsite training at the NIST campus in Gaithersburg, MD. For at least two (2) NIST personnel. Training shall cover normal system operation, troubleshooting, and routine maintenance, including probe changes, cryoplatform warm up/cool down procedures, and compressor cleaning, at a minimum.

Training shall be provided during normal business hours, between 8:30am and 5:00pm Eastern Time, Monday through Friday, except federal folidays, and must be coordinated with the NIST COR and Technical Point of Contact (TPOC) to ensure maximum availability of NIST personnel.

The training may be completed immediately after installation/set-up and on-site acceptance of the system. Training shall be completed no later than 30 calendar days after the successful completion of installation.

WARRANTY

The Contractor shall provide, at a minimum, a one-year warranty for the equipment. The warranty shall cover all parts, labor and travel. The warranty shall begin after successful completion of delivery, installation, training, demonstration of all required specifications and NIST’s acceptance of the equipment. One preventive maintenance must be provided during the warranty period.

MAINTENANCE AGREEMENT

The Contractor shall provide four (4) years of maintenance and repair service. This service shall commence the day following expiration of the warranty period.

The maintenance agreement shall include all of the following:

-One preventative maintenance visit must be performed each year and shall include any required or recommended annual maintenance of all components of the system, including any of the optional components purchased at the time of award. During the PM the Contractor shall also check that the instrument is operating to all specifications identified herein, including that the sensitivity and pulse width specifications for probes, if any are purchased at the time of award;

- Telephone support during normal business hours (9:00 AM to 5:00 PM ET except for weekends and holidays);

-All labor, parts, shipping and travel related expenses throughout the life of the maintenance agreement .

-The Contractor shall reply to a service call via phone or email, within one business day. In the case that on-site maintenance is required, the Contractor shall arrive on-site and commence service within ten business days of the date the service call is initiated.

-For all services performed, the Contractor must provide the NIST COR and Technical Point of Contact with a service ticket that contains the following information:

- Model number.

- Serial number.

- Date and time of arrival to NIST.

- Description of service performed.

- Name and quantity of any parts that were repaired.

- Name and quantity of any parts that were replaced.

- Date and time of departure from NIST.

- Diagnostic test results or narrative summary demonstrating that the instrument is meeting the manufacturer’s performance standards.

- Any additional comments or recommendations.

- Printed name and signature of service technician. Signature block for NIST personnel accepting the services rendered.

SEPARATELY PRICED OPTION LINE ITEMS

The Government has included one separately priced option line item. The Government may exercise the separately priced option line item, at its discretion, at the time of award, or at any time not later than one year from the date of award. The price for the separately priced option shall remain in effect consistent with the timeline identified.

The Contracting Officer reserves the right to provide email notification to the Contractor to exercise the separately priced option line item and follow-up with a confirming modification. Only the Contracting Officer has the authority to modify the contract to exercise the separately priced option line item and/or incorporate any change.

LINE ITEM 0002 – SEPARATELY PRICED OPTION LINE ITEM

Probes

· One (1) double resonance room temperature probe 5 mm broadband observe probe with the following minimum requirements:

1. Optimized for X-nuclei observation and 1H observation or decoupling. The probe must be capable of simultaneous 1H and 19F operation to permit 19F observation with 1H decoupling (and vice versa) as well as two-dimensional 1H/19F experiments.

2. The broadband channel shall be tunable from 31P to 109Ag.

3. Equipped with 2H lock channel and Z-gradient coil.

4. Equipped for automated computer control of tuning and matching.

5. Minimum sample temperature range between -100ºC and 150ºC.

· One (1) triple resonance (HXY) room temperature solid-state magic angle spinning (MAS) probe designed for the analysis of rigid solid samples with the following minimum requirements:

1. An RF insert must be included that allows for switching between triple resonance and double resonance modes.

2. RF inserts must be included for the following frequency ranges for broadband channels:

a. X = 150.9 MHz (or less) to 158.7 MHz (or greater), Y = 43.3 MHz (or less) to 92.1 MHz (or greater).

b. X = 233.2 MHz (or less) to 242.9 MHz (or greater), Y = 150.9 MHz (or less) to 158.7 MHz (or greater).

3. Rotor size of 2.5 mm or 3.2 mm.

4. Equipped with 2H lock channel and Z-gradient coil.

5. Automated computer control of tuning and matching.

6. Automated magic angle adjustment.

7. Minimum rotation frequency ≥ 24 kHz.

8. Minimum sample temperature range between -80ºC and 150ºC.

9. Compatible with the autosampler specified above.

10. Sample rotors (minimum 3) must be included together with any accessories needed for use with autosampler.

PERIOD OF PERFORMANCE

Delivery, installation, demonstration of specification and training shall be completed not later than one year from the date of award or, one year from the date the Government authorizes the Contractor to commence manufacturing. The maintenance agreement shall commence the date following the expiration of the one year warranty.

GENERAL INFORMATION

Safety: The Contractor employee shall be responsible for knowing and complying with commercial installation safety prevention regulations. Such regulations include, but are not limited to, general safety, fire prevention, and waste disposal.

Security: NIST is a restricted campus. An identification badge is required for access for entry into buildings and also is shown to the armed Security Police when entering the campus.

Identification Badges: Contractor employees shall comply with NIST identification and access requirements. The Contractor shall provide the name and citizenship information of employees for on-site visits to the NIST Technical Point of Contact (TPOC) prior to arrival. The TPOC will submit the name(s) and citizenship information to the NIST Office of Security in order for a given Contractor employee to enter the NIST campus. The Contractor employee is responsible for absences due to missing or expired identification and access documents. Each Contractor employee shall wear a visible identification badge provided by the NIST Security Office.

Vehicle Registration: All Contractor employees must register their vehicles with the NIST Security Office to gain access to the campus. A valid driver’s license, Government-furnished civilian ID (which in most cases can be a valid driver's license), proof of insurance and current registration must be presented to the NIST Security Office.