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Purchase Description

Name of Item or Project Title:

Waters ACQUITY UPLC I-Class PLUS Triple with QDa system (Brand-name or equal).

Statement of Need and Purpose:

The Analytical Chemistry Core (ACC), within the Division of Preclinical Innovation (DPI) at the

National Center for Advancing Translational Sciences (NCATS) seeks to purchase an Ultra

Performance Liquid Chromatography (UPLC) system coupled with a Mass Spectrometry (MS) detector in order to advance NCATS purification capabilities aimed at meeting the support and resource needs of the APP and DPI Chemistry.

Background Information and Objective:

The National Institutes of Health (NIH) is the nation’s leading medical research agency and the primary Federal agency whose mission is to seek fundamental knowledge about the nature and behavior of living systems and the application of that knowledge to enhance health, lengthen life, and reduce illness and disability, conducting, supporting and making medical discoveries that improve people’s health and save lives.

NCATS is one of 27 Institutes and Centers at the NIH and its mission is to catalyze the generation of innovative methods and technologies that will enhance the development, testing and implementation of diagnostics and therapeutics across a wide range of human diseases and conditions. The NCATS DPI plans, conducts and uses both internal and contract resources to advance collaborative research projects across the preclinical phases of the translational science spectrum.

The NCATS DPI Analytical Chemistry Core (ACC) maintains a state-of-the-art laboratory whose mission is to support translational research throughout NCATS by providing analytical chemistry services involving the isolation, purification, identification and analysis of various therapeutic modalities for targeted disease states.

NCATS has become a key partner in the Antiviral Program for Pandemics (APP), a multi-agency initiative that includes National Institute of Allergy and Infectious Diseases (NIAID) and

Biomedical Advanced Research and Development Authority (BARDA), to accelerate antiviral development through early discovery and preclinical development of safe and effective oral antivirals. The initial priority for the APP is to develop treatments for SARS-CoV-2 and other coronaviruses, with the program expanding to address other virus families with pandemic potential. NCATS will apply its proficiency in drug discovery and development and its cutting-edge technologies to fill critical needs of the APP, such as (i) target validation, (ii) high-throughput screening (HTS) for drug starting points, (iii) medicinal chemistry for lead optimization, and (iv) preclinical, investigational new drug (IND)-enabling development.

APP chemists within DPI are tasked with the discovery and development potential small molecule antiviral treatments for a range of viruses that have pandemic potential. In order to meet the increased demand for sample purification and analysis, the ACC needs to improve throughput and expand capabilities through procurement of additional instrumentation and equipment, as well as the application of new technologies.

As part of this initiative, the ACC is working on the development of an automated purification platform that would operate as a stand-alone system or an integrated module within the automated synthetic laboratory. This automated purification system named FluidCore is a dual arm fraction collection bed that incorporates analytical and purification liquid chromatography

(LC) systems into a single automated platform. The custom system will be integrated into the

SMART centralized sample purification and processing platform as an upgrade to the current workflow. The ACC is currently working on the design and development of this innovative and custom purification system by retrofitting NCATS current auto purification semi-preparative purification instrument. Thus, ACC needs an Ultra Performance Liquid Chromatography

(UPLC) system coupled with a Mass Spectrometry (MS) detector to be the analytical LC system for FluidCore, which is required to be readily integrated with the existing NCATS purification system. Additionally, the Ultra Performance Liquid Chromatography (UPLC) system coupled with a Mass Spectrometry (MS) detector has to be compatible with Waters Automation

Portal as a means of transferring analytical samples from the fraction collection bed to the analytical Ultra Performance Liquid Chromatography (UPLC) system for analysis.

Thus, without acquisition of an Ultra Performance Liquid Chromatography (UPLC) system coupled with a Mass Spectrometry (MS) detector, the ACC will be unable to advance NCATS purification capabilities aimed at meeting the support and resource needs of the APP and DPI

Chemistry.

Generic Name of Product:

Ultra Performance Liquid Chromatography (UPLC) system coupled with a Mass Spectrometry

(MS) detector.

Purchase Description:

For reference purposes, the Ultra Performance Liquid Chromatography (UPLC) system coupled with a Mass Spectrometry (MS) detector that meet the need of this requirement is the

Waters ACQUITY UPLC I-Class PLUS Triple with QDa system, as follows:

Line Item No.

Part No. Item Description Qty

1 176815023 ACQUITY UPLC I-Class PLUS Triple w/QDa System 1

1.a 176015111 ACQUITY I-Class PLUS Sys. (CM-A) w/SM-FTN-I 1

1.b 176015091 ACQUITY UPLC I-Class eK PDA Detector 1

1.c 700011803 ACQUITY I-Class PDA Tubing Single Detector 1

1.d 176003208 ACQUITY QDa Detector (Performance) 1

1.e 176004266 ACQUITY I-Class PLUS QDa Kit 1

1.f 205001275 Kit, Ethernet Switch Box w/ Bracket 1

1.g 186008515 Acquity QDa Fluidics Valve, Stainless Steel 1

1.h 700009641 ESI PROBE ASSEMBLY 250mm 1

1.i 176003244 ISM & ACQUITY Splitter Kit 1

1.j 176015027 ACQUITY UPLC ELSD w/Nebulizer 1

1.k 700002848 ACQUITY UPLC / UV and ELSD Qualification Standards Kit

1.l 700002669 ACQUITY UPLC / UV Start-up Standards Kit 1

1.m 700002741 ACQUITY / Quattro micro or Quattro Premier MS Start-up Solution Kit

1.n 176001060 ML 4.1 & Standard PC 1

1.o 668000273 MONITOR, 23" 1

1.p 741000472 QDa SYSTEM INSTALLATION CERT 1

1.q 176003950 Analytical LC-MS Solvent Install Kit 1

2 176015048 ACQUITY UPLC CM-Aux Add-on (3/4) 1

3 720002242EN Implementation Kit 1

The salient characteristics of the Ultra Performance Liquid Chromatography (UPLC) system coupled with a Mass Spectrometry (MS) detector include:

• Ultra-performance liquid chromatography (UPLC) analysis, which is required for increased sample throughput. Method run times of 1-2 min are capable decreasing the time in which chemists receive sample data.

• Binary solvent pumps with two integrated solvent select valves providing access to four solvents for high pressure mixing, binary gradient

• 11 gradient curves (linear, step (2), concave (4), and convex (4))

• A maximum operating pressure of 18,000 psi at up to 1 mL/min and 12,000 psi at up to 2 mL/min

• A solvent flow accuracy of ±1.0% of set flow rate at 0.500 ml/min, as per Empower SystemsQT

• A solvent flow precision of ≤0.075% RSD or 0.01 min SD, (0.2 to 2.0 ml/min), whichever is greater using premixed solvent

• A solvent composition ripple of ≤1.0 mAu

• A solvent composition precision of ≤0.15% RSD or ±0.01 min SD, whichever is greater

• A solvent composition accuracy of ±0.5% absolute from 5% to 95%, 0.2 to 2.0 ml/min

• A cycle time of ≤15 s inject to inject, with load ahead enabled

• A sample manager flow-through-needle (SM-FTN) setup for robust needle sealing at high pressures while minimizing extra-column band spread

• Integrated vacuum degassing, six lines with two allocated for the injector needlewash/purge solvents

• An integrated, active, and programmable injection needle wash

• Sample Manager must be configurable to accommodate any two combinations of the following sample formats: 96-well microtiter plate, 384-well microtiter plate, 2 mL vial plate (48 position), 0.65 mL micro-centrifuge tube plate (48 position), and 1.5 mL micro-centrifuge tube plate (24 position)

• Sample compartment temperature range of 4 to 40 °C that is settable in 0.1 °C increments; maintain 19 °C below ambient with a tolerance range between -2 and +4 °C

• An operational pH range of 1 to 12.5

• A column manager compartment for holding up to 4 columns with a temperature range of 4 to 90 °C that is settable in 0.1 °C increments

• Column tracking using the eCord Technology

• Capable of utilizing an integrated photodiode array (PDA) detector, an evaporative light scattering detector (ELSD), and a Quadrupole Dalton (QDa) detector

• System must be operable with MassLynx, Empower, and UNIFI software

• Electrical power requirements of 100 to 240 VAC with a line frequency of 50 to 60 Hz

• Readily integrated with NCATS existing Waters purification system

• Compatible with Waters Automation Portal

• Handling and Shipping to NCATS, FOB Destination.

• Installation and equipment familiarization on-site (NCATS)

• Twelve (12) month warranty on the instruments after installation

Quantity:

One (1) Waters ACQUITY UPLC I-Class PLUS Triple with QDa system (Brand-name or equal) as described in the Purchase Description.

Delivery:

Delivery is required within thirty (30) days after receipt of order (ARO). Delivery shall be made to the below address with FOB Destination.

National Center for Advancing Translational Sciences (NCATS)

9800 Medical Center Drive

Rockville, MD 20850

The installation and equipment familiarization shall be conducted on dates and times agreed upon by the vendor and the NCATS point of contact designated on the award.