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©2016 Waters Corporation 1
Latest Advancements for Developing Next Generation Agrochemicals
Jonathan Jones
www.waters.com/agrochem
©2016 Waters Corporation 2
Driven by the need to ensure a secure and sustainable global food supply, the agrochemicals industry is striving to improve productivity from arable lands and to increase efficient use of water resources.
©2016 Waters Corporation 3
To meet the growing demand for crop protection solutions, agrochemical producers must overcome numerous barriers to product commercialization.
Regulatory testing and documentation requirements are increasing as governments exercise greater oversight of chemical use.
Businesses and consumers alike are demanding more environmentally friendly chemicals.
A growing generics market is putting downward pressure on pricing.
To ensure success in an evolving market, the need to innovate and differentiate is greater than ever.
Business Drivers
©2016 Waters Corporation 4
In order to achieve critical business objectives, agrochemical laboratories are tasked with addressing an array of scientific and operational challenges.
Discovery and development of new crop protection products is long, costly, and resource-intensive.
Data generation and management necessary for product registration has created long backlogs at many laboratories.
Creating new products often results in complex formulations that are difficult to characterize - adding time, effort, and costs to the process.
Laboratory Drivers
©2016 Waters Corporation 5
As you work to strengthen your position in this competitive marketplace, Waters provides analytical solutions that can make a direct, positive
impact on your business, delivering value every step of the way
©2016 Waters Corporation 6
Waters is focused on making continuous advancements in analytical technologies – from ease-of-use to sensitivity, from speed to flexibility. Our diverse portfolio of solutions includes:
Columns & Sample Prep
Chromatography
Mass Spectrometry
Data Management Software
Innovative Analytical Solutions
©2016 Waters Corporation 7
Waters analytical technologies enable laboratories to generate more information, complete analyses more rapidly and reduce overall costs throughout key steps in the agrochemical development workflow:
Synthetic Chemistry
Purification
Formulation
Trace Detection
Metabolite ID
Enhancing Laboratory Effectiveness
©2016 Waters Corporation 8
Synthesis is at the heart of agrochemical discovery and development. In the search for new chemicals that
have specific activity, an important goal is speed – achieving swift and efficient synthesis of candidate
molecules for screening.
©2016 Waters Corporation 9
Agrochemical Development
In the search for new chemicals that have specific activity, achieving swift and efficient synthesis of new candidate molecules for screening is critical.
• The Waters® ACQUITY UPLC® H-Class System offers the flexibility of a quaternary-based HPLC with the performance advantages of UPLC® – this means greater sample throughput, reduced cost per analysis, and better quality results.
• A mass detector for LC laboratories performing routine screening to confirm components, the ACQUITY® QDa® Detector offers a fast and easy solution that works within existing workflows. It is preoptimized to work with your samples, without sample-specific or user adjustments typical of traditional mass spectrometers.
ACQUITY UPLC H-Class System with QDa Detector Better resolve known components and enable the discovery of unknown components.
ACQUITY UPLC H-Class System.
ACQUITY QDa Detector.
Synthetic Chemistry
©2016 Waters Corporation 10
Agrochemical Development
OpenLynx™ Application Manager browser showing detection using evaporative light scattering detection (ELSD), UV for purity estimation and electrospray positive and negative detection with ACQUITY QDa for mass confirmation.
Synthetic Chemistry
©2016 Waters Corporation 11
Purification is an essential task in agrochemical R&D processes, including the isolation of high purity active ingredients from synthetic chemistry as well as significant impurities and reaction by-products that must be characterized for regulatory submissions or are needed in larger scale for further studies.
©2016 Waters Corporation 12
Purification is essential to agrochemical R&D - involving the isolation of high purity active ingredients and impurities that must be characterized for regulatory submissions.
• The AutoPurification™ HPLC/MS System makes mass-directed purification more readily accessible to chromatographers. This solution provides flexible automated compound isolation options that simplify the purification workflow and increase process efficiency by empowering scientists to perform other tasks.
AutoPurification™ System with ACQUITY QDa Lower cost and save time by collecting only specific target compounds.
AutoPurification HPLC/MS System.
Agrochemical Development
Purification
©2016 Waters Corporation 13
Preparative SFC can efficiently isolate trace impurities in a commercial formulations, such as this example using the fungicide propiconazole, in sufficient amounts for structural elucidation and other studies. UPC2 chiral analysis of four collected impurities from the Prep 100q SFC System with chiral prep columns demonstrated that each isomer had an enantiomeric excess (e.e.) >98%.
Prep 100q SFC System.
Agrochemical Development
Purification
©2016 Waters Corporation 14
Achieving the optimum formulation is essential to any crop protection product, and may provide a clear competitive advantage.
©2016 Waters Corporation 15
During formulation, manufacturers must quickly determine which isomers are delivering the desired efficacy by assessing the enantiomeric purity of chiral active ingredients, and for product registration purposes, specify and quantitate all other non-active components.
• ACQUITY UPC2 utilizes supercritical carbon dioxide as the primary mobile phase to provide a more cost-effective and greener technology by lowering the use of organic solvents.
• Exercise better control over the retention of analytes for analyzing structural analogs, isomers, and enantiomeric and diasteriomeric mixtures.
ACQUITY UltraPerformance Convergence Chromatography™ (UPC2) System Delivers faster separations and superior resolution for chiral and achiral applications.
ACQUITY UPC2 System.
Agrochemical Development
Formulation
©2016 Waters Corporation 16
Agrochemical Development
ACQUITY UPC2 UV chromatogram at 220 nm showing the chiral resolution of propiconazole stereoisomers and unknown chiral components in the formulation sample using the ACQUITY UPC2 Trefoil™ AMY1 Column.
Formulation
©2016 Waters Corporation 17
Many of the registration requirements of new agrochemical products relate to understanding environmental fate, transport, and toxicity. Trace-level analysis in complex biological and environmental matrices is key to supporting both pre- and post-product registration activities.
©2016 Waters Corporation 18
Agrochemical Development
In the current regulatory environment, product registration of a new agrochemical product requires a detailed understanding of its environmental fate, transport, and toxicity. Trace Detection is fundamental to this process.
• A tandem quadrupole mass spectrometer with small footprint, this system delivers low levels of quantitation with a wide dynamic range. Designed to acquire sensitive, robust, and dependable data at accelerated rates of acquisition, the Xevo® TQ-S micro is able to reproduce high quality analytical performance injection after injection, even with the most complex sample matrices.
Xevo TQ-S micro Detect target compounds at very low concentrations while minimizing run time.
Xevo TQ-S micro and ACQUITY UPC2 System.
Trace Detection
©2016 Waters Corporation 19
Agrochemical Development
The ACQUITY UPC2 System with Xevo TQ-S was used to analyze triazole fungicides in wheat grain and straw. Enantioseparation of five triazole fungicides pre-spiked onto wheat grain at a level of 1 ng/g and extracted using QuEChERS with Oasis® MCX Sample Cleanup. The results show improved enantiomeric resolution and shorter analysis times were achieved compared with normal phase chiral separations resulting in higher sample throughput.
Trace Detection
©2016 Waters Corporation 20
To properly determine the toxicological and environmental impact of an agrochemical, you need to detect, identify, and quantify all of the metabolites in your sample. For your laboratory productivity, that means a need for both process efficiency and scientific rigor.
©2016 Waters Corporation 21
Agrochemical Development
Regulatory agencies require extensive documented and audited studies concerning the benefits and possible risks of using crop protection products before product registration can occur. Manufacturers must provide evidence of the potential human health and environmental effects.
• The Metabolite Identification Application Solution with UNIFI® is an all-inclusive system that provides agrochemical laboratories with the most comprehensive analytical tool for identifying and characterizing metabolites. Purpose-built for metabolite (Met) ID, this system brings unparalleled ease and efficiency to routine Met ID processes.
Metabolite Identification Application Solution with UNIFI®
Know More About Your Metabolites.
ACQUITY UPLC I-Class System with Xevo G2-XS Qtof.
Metabolite ID
©2016 Waters Corporation 22
Agrochemical Development
The UNIFI Scientific Information System can show identification details of the proposed metabolites, identified metabolites, and spectra showing precursor and fragmentation information
Metabolite ID
©2016 Waters Corporation 23
More Information Waters has developed several application notes that detail the use and
impact of our of technologies along the agrochemical development workflow. Click the links to download.
Synthetic Chemistry
Characterization of Impurities in the Fungicide Flutriafol
Purification
Enantioseparation of Metalaxyl and Small-Scale Purification Isolating Trace Impurities for Structural Elucidation in a Commercial Fungicide Formulation
Formulation
Chiral and Achiral Profiling of a Pesticide Formulation Enantioselective Resolution and Analysis of Chiral Pesticides in Formulations Sample Profiling of Pesticide Formulations Using UV and MS Detection for Component Identification
Trace Detection
Enantioseparation and Detection of Triazole Fungicides in Wheat Grain and Wheat Straw
Metabolite ID
Methodology for the Identification of Pesticide Metabolites in Complex Matrices
©2016 Waters Corporation 24
For any questions or for more information please contact:
Or visit www.waters.com/agrochem
