02_04106_SOW_Benchtop_NMR_revised_8-28-18.doc

DRAFT STATEMENT OF WORK

STATEMENT OF WORK:

Introduction

The contractor shall furnish the necessary personnel, material, equipment, and services to fabricate, install and test one (1) Benchtop Nuclear Magnetic Resonance (NMR) Spectrometer.

Background The Polymers and Complex Fluids Group of the Materials Science and Engineering Division at the National Institute of Standards and Technology (NIST) is developing a collaborative research program for the rapid identification of polymers, oligomeric polymer degradation products, additives, and absorbed pollutants found in discarded plastics using low-resolution (or “benchtop”) nuclear magnetic resonance (NMR) spectroscopy. The continued challenge of accurate, high throughput characterization of waste plastics in both marine environments as well as in recycling processing facilities requires method development to identify and quantify the chemical composition of the polymer, as well as small molecule additives, short-chain byproducts, and persistent organic pollutants (POPs) that may have adsorbed to the material. These measurement needs are critical to identify and quantify possible contaminants and degradation products that can leach from the polymers into marine environments or, alternatively, contaminants than can adversely affect processing and (ultimate) performance of recycled polymers. These needs require an instrument with the ability to analyze chemical shifts of multiple nuclei, perform 2-D correlated analyses, and be able to provide appropriate sensitivity and resolution to resolve chemical shifts in spectra.

Given the variability of commercial polymer formulations, as well as the unknown nature of the organic molecules they may absorb from the environment, specific standards and spectral reference libraries are practically non-existent for waste polymeric materials. Thus, identification of a specific additive or organic contaminant in a discarded polymer material relies heavily on the preliminary analytical data generated from validated laboratory methods and an appropriate structural elucidation protocols. High-resolution NMR spectroscopy is used as the first-line structural elucidation technique when neither external reference data materials nor reference materials are available. A combination of 1D and 2D NMR assessments can provide solid analytical evidence for both the identification of mixtures and a comprehensive structural conformation of the unknown components, especially at lower concentrations. High resolution NMR, however, is more likely to be utilized in national laboratories and universities, and not commonly utilized in industrial and ecology field laboratories due to its cost, maintenance and requirement of extensively trained and skilled analysts for operation.

NIST MSED aims to explore the capabilities of low resolution NMR in the identification of small molecule components and degradation products from discarded and recycled industrial plastics. From a pragmatic perspective, low-resolution NMR spectrometers are roughly one-third of the cost of a high-resolution instrument, and do not require the rigorous maintenance schedule of a superconducting magnet. With the ability and discriminating power of the low-resolution bench top NMR coupled with other instrumental analyses already available in the field, such as handheld Raman spectroscopy, the identification of plastic debris could be easily and efficiently achieved. If low resolution NMR can be proven effective, the goal is to enable industrial labs, recycling facilities, and marine ecology laboratories with a suitable and validated low resolution NMR methodology and reference data for the rapid and conclusive identification of polymers and small molecule additives or contaminants to improve accurate field and commercial laboratory measurements.

Additionally, the benchtop NMR will also be used to support ongoing synthetic efforts in MSED to develop model materials for improved material measurements. These efforts include characterization of small molecules, reaction purity, reaction kinetics, and end group analysis of low molecular weight polymer chain ends (Mn < 2 kg/mol).

Minimum Requirements

The system shall meet or exceed the technical specifications identified below. All items must be new. Prototypes, demonstration models, used or remanufactured equipment will not be considered for award.

LINE ITEM 0001:

The Contractor shall be able to provide a one (1) low-resolution or “benchtop”, cryogen-free NMR spectrometer that has the following technical criteria:

· Proton (1H) spectral resolution of:

· Line width @ 50% = < .5 Hz

· Line width @ 0.55% = < 20 Hz

· Signal/noise (S/N) ratio 200:1 for a 1% ethylbenzene standard sample

· Capability for proton (1H), carbon (13C) and fluorine (19F) nuclei inclusively

· Capability (instrument and software) for the following additional experiments:

· Proton-proton (1H-1H) homonuclear correlation spectroscopy (COSY)

· Proton-carbon (1H-13C) heteronuclear correlation spectroscopy (HSQC, HMBC)

· 2D J-Resolved spectroscopy

· T1 and T2 experiments

· DEPT (1D spectral editing for 13C)

· Reaction monitoring capability

· Automated shimming protocols and system optimization within operating software

· Integrated field frequency lock, which can be set automatically and continually, to allow analysis with non-deuterated solvents

· A demonstrated field drift rate of 0.1 Hz per hour or less, to enable long term experiments with minimal drifting effects

· Must include software to process NMR spectra, including the ability to export raw data for external processing in at least one of the following formats: .csv, .txt, .xlsx, .fid

· Must include ability to re-install software if the instrument computer (not purchased in this contract) becomes corrupted, or is outdated and needs to be upgraded/or replaced; this can be achieved through an installation disk or drive, through an internet download, or though issue of a license key.

· Software must meet NIST IT Security and Standard operating configuration requirements as follows:

· During installation, the Government will perform security assessments for authorization (A&A) and continuous monitoring, to include web, database, and operating system vulnerability scanning (as applicable) and will inform the Contractor of identified risks associated with missing patches and/or configuration settings. The Government will determine the risk rating of identified vulnerabilities. The Government prefers, but does not require, that the Contractor provide an action plan, and a schedule for implementing the action plan and providing and updated version of the software, at no cost to the Government, to mitigate security risks found during A&A and continuous monitoring activities not later than 90 days of NIST’s notification of security risks.

The low-resolution NMR spectrometer should also:

· Utilize standard 5 mm NMR tubes, without requirement of high precision glass

· Provide sample spinning and/or temperature control without external compressed air, fluids or plumbing requirements

· Operate with standard US laboratory power supply (110 V) and be compatible with conventional US power receptacles

· Operate with a PC-based laptop PC with a USB connection (NIST to provide computer; not part of this purchase)

The low-resolution NMR spectrometer must be 100% cryogen-free (containing a permanent magnet), self-contained in a single unit (that contains both the magnet and spectrometer), and be completely portable. The portability of the single unit is defined as being completely transportable without any additional shipping crating and/or packaging, and can be transported by a standard-sized vehicle and be managed by a single individual. The entire unit should have a weight less than 80 kg, and must be able to fit on top of a standard laboratory bench.

The NMR system should include a minimum one-year warranty all labor, parts and materials. (see express warranty section for specific details). The installation of the NMR system at the Gaithersburg, MD site must be included with purchase (see Installation section below for specific details). The NMR system should include a minimum of one included session of user training (see Training section below for details) The Contractor must document mitigation of safety concerns in the technical specifications of the instrument quotation.

· Electrical safety: Contractor must document preventative measures to prevent electrical shock to the user in the submitted quotation.

· Magnetic Field: Instrument must have appropriate shielding or mitigation of magnetic field if operation of magnet will exceed 2G (Gauss) in the laboratory.

Site Preparation NIST will prepare laboratory space for installation of the system prior to system delivery and installation by the contractor. The contractor shall provide a complete list of facilitation requirements and layout of the system and associated equipment within 5-days of contract award. In addition, the contractor shall provide a list (with manufacturers and part numbers) of necessary consumables.

Express Warranty The contractor shall warrant the entire system for a period of at least one (1) year from acceptance. The warranty shall include unlimited telephone/e-mail support for questions regarding operation. All costs including parts, labor, travel, and other expenses necessary to repair the system will be borne solely by the contractor at no additional cost to the U.S. Government.

Installation

The system shall be installed by the Contractor and meet contract specifications no later than One (1) months after delivery. Installation, at a minimum, shall include uncrating/unpackaging of all equipment, rigging, set-up and hook-up of the system, demonstration of all specifications, and removal of trash. Onsite installation and demonstration shall be done at the National Institute of Standards and Technology (NIST), 100 Bureau Drive, Gaithersburg, MD 20899-0001.

Training The contractor shall conduct one (1) training session for up to three (3) technical personnel at NIST, and shall provide the duration of this training session. The training shall provide a thorough demonstration of all system/solution functions, maintenance, data administration, basic troubleshooting and hardware/software operation. The training may be completed at NIST, 100 Bureau Drive, Gaithersburg, MD 20899-0001, immediately after installation/set-up and demonstration of performance specifications, but shall be completed no later than 30 days after installation.

a. This includes demonstration of a fully functional NMR unit, including sample loading, sample tuning (lock and shim), full data acquisition and processing of samples and software capabilities at SOW specifications.

b. This includes demonstration of any required calibration and data analysis Delivery:

Delivery shall be FOB DESTINATION, and be completed in 90 days after award.

Delivery Address:

National Institute of Standards and Technology

Shipping and Receiving Building 301

100 Bureau Drive

Gaithersburg, MD 20899

Documentation:

All manuals and documentation on the system shall be provided with system.