This handbook and ready reference highlights a couple of basic aspects of recently developed new methods in modern crop protection research, authored by renowned experts from major agrochemical companies. Organized into four major parts that trace the key phases of the compound development process, the first section addresses compound design, while the second covers newly developed methods for the identification of the mode of action of agrochemical compounds. The third part describes methods used in improving the bioavailability of compounds, and the final section looks at modern methods for risk assessment. As a result, the agrochemical developer will find here a valuable toolbox of advanced methods, complete with first-hand practical advice and copious examples from current industrial practice.

InhaltsangabePREFACE PART I: Methods for the Design and Optimization of New Active Ingredients HIGHTHROUGHPUT SCREENING IN AGROCHEMICAL RESEARCH Introduction TargetBased HighThroughput Screening Other Screening Approaches In Vivo HighThroughput Screening Conclusions COMPUTATIONAL APPROACHES IN AGRICULTURAL RESEARCH Introduction Research Strategies LigandBased Approaches StructureBased Approaches Estimation of Adverse Effects InSilico Toxicology Programs and Databases Conclusion QUANTUM CHEMICAL METHODS IN THE DESIGN OF AGROCHEMICALS Introduction Computational Quantum Chemistry: Basics, Challenges, and New Developments Minimum Energy Structures and Potential Energy Surfaces PhysicoChemical Properties Quantitative Structure-Activity Relationships Outlook THE UNIQUE ROLE OF HALOGEN SUBSTITUENTS IN THE DESIGN OF MODERN CROP PROTECTION COMPOUNDS Introduction The Halogen Substituent Effect Insecticides and Acaricides Containing Halogens Fungicides Containing Halogens Plant Growth Regulators (PGRs) Containing Halogens Herbicides Containing Halogens Summary and Outlook PART II: New Methods to Identify the Mode of Action of Active Ingredients RNA INTERFERENCE (RNAI) FOR FUNCTIONAL GENOMICS STUDIES AND AS A TOOL FOR CROP PROTECTION Introduction RNA Silencing Pathways RNAi as a Tool for Functional Genomics in Plants RNAi as a Tool for Engineering Resistance against Fungi and Oomycetes RNAi as a Tool for Engineering Insect Resistance RNAi as a Tool for Engineering Nematodes Resistance RNAi as a Tool for Engineering Virus Resistance RNAi as a Tool for Engineering Bacteria Resistance RNAi as a Tool for Engineering Parasitic Weed Resistance RNAi Safety in Crop Plants Summary and Outlook FAST IDENTIFICATION OF THE MODE OF ACTION OF HERBICIDES BY DNA CHIPS Introduction Gene Expression Profiling: A Method to Measure Changes of the Complete Transcriptome Classification of the Mode of Action of an Herbicide Identification of Prodrugs by Gene Expression Profiling Analyzing the Affected Metabolic Pathways Gene Expression Profiling: Part of a Toolbox for Mode of Action Determination MODERN APPROACHES FOR ELUCIDATING THE MODE OF ACTION OF NEUROMUSCULAR INSECTICIDES Introduction Biochemical and Electrophysiological Approaches FluorescenceBased Approaches for Mode of Action Elucidation Genomic Approaches for Target Site Elucidation Conclusion NEW TARGETS FOR FUNGICIDES Introduction: Current Fungicide Targets A Retrospective Look at the Discovery of Targets for Fungicides New Sources for New Fungicide Targets in the Future? Methods to Identify a Novel Target for a Given Compound Methods of Identifying Novel Targets without Pre-Existing Inhibitors NonProtein Targets Resistance Inducers Beneficial Side Effects of Commercial Fungicides Concluding Remarks PART III: New Methods to Improve the Bioavailability of Active Ingredients NEW FORMULATION DEVELOPMENTS Introduction Drivers for Formulation Type Decisions Description of Formulation Types, Their Properties, and Problems during Development Bioavailability Optimization Conclusions and Outlook POLYMORPHISM AND THE ORGANIC SOLID STATE: INFLUENCE ON THE OPTIMIZATION OF AGROCHEMICALS Introduction Theoretical Principles of Polymorphism Analytical Characterization of Polymorphs Patentability of Polymorphs Summary and Outlook THE DETERMINATION OF ABRAHAM DESCRIPTORS AND THEIR APPLICATION TO CROP PROTECTION RESEARCH Introduction Definition of Abraham Descriptors Determination of Abraham Descriptors: General Approach Determination of Abraham Descriptors: Physical Properties Determination of Abraham Descriptors: Examples Application of Abraham Descriptors: Descriptor Profiles Application of Abraham Descriptors: LFER Analysis Application of Abraham Descriptors: Generality of Approach PART IV: Modern Methods for Risk Assess

Leseprobe

InhaltsangabePART I: Methods for the Design and Optimization of New Active Ingredients High Throughput Screening in Agrochemical Research Computational Approaches in Agricultural Research Quantum Chemical Methods in the Design of Agrochemicals The Unique Role of Halogen Substituents in the Design of Modern Crop Protection Compounds PART II: New Methods for the Identification of the Mode of Action of Active Ingredients RNA Interference (RNAi) for Functional Genomics Studies and as a Tool for Crop Protection Fast Identification of the Mode of Action of Herbicides by DNA Chips Modern Approaches for Elucidating the Mode of Action of Neuromuscular Insecticides New Targets for Fungicides PART III: New Methods for the Improvement of the Bioavailability of Active Ingredients New Formulation Developments Polymorphism and the Organic Solid State - Influence on the Optimization of Agrochemicals The Determination of Abraham Descriptors and their Application to Crop Protection Research PART IV: Modern Methods for the Risk Assessment Ecological Modeling in Pesticide Risk Assessment: Chances and Challenges The Use of Metabolomics in Vivo for the Development of Agrochemical Products Safety Evaluation of New Pesticide Active Ingredients: Enquiry-Led Approach to Data Generation Endocrine Disruption Definition and Screening Aspects in the Light of the European Crop Protection Law