Modern Methods in Crop Protection Research

PREFACE

PART I: Methods for the Design and Optimization of New Active Ingredients

HIGH-THROUGHPUT SCREENING IN AGROCHEMICAL RESEARCH
Introduction
Target-Based High-Throughput Screening
Other Screening Approaches
In Vivo High-Throughput Screening
Conclusions

COMPUTATIONAL APPROACHES IN AGRICULTURAL RESEARCH
Introduction
Research Strategies
Ligand-Based Approaches
Structure-Based Approaches
Estimation of Adverse Effects
In-Silico 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
Physico-Chemical 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
Fluorescence-Based 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
Non-Protein 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 Assessment

ECOLOGICAL MODELING IN PESTICIDE RISK ASSESSMENT: CHANCES AND CHALLENGES
Introduction
Ecological