Buch, Englisch, 392 Seiten, Format (B × H): 178 mm x 254 mm
Emerging Roles of Deep Eutectic Systems
Buch, Englisch, 392 Seiten, Format (B × H): 178 mm x 254 mm
ISBN: 978-1-041-28870-1
Verlag: Taylor & Francis Ltd
Deep eutectic solvents (DESs) and natural deep eutectic solvents (NADES) have emerged as transformative materials in the pursuit of sustainable and environmentally responsible chemistry. Their remarkable physicochemical properties, low toxicity, tunable structures, and broad applicability position them as powerful alternatives to conventional solvents and catalysts across diverse scientific and industrial fields. From catalysis, extraction, and electrochemistry to pharmaceuticals, polymerization, agriculture, and energy storage, DESs are redefining modern approaches to green chemical processes and materials design.
This book provides a comprehensive overview of the latest advances in DES and NADES research, covering both fundamental principles and practical applications. It explores the environmental profile, synthesis strategies, physicochemical behavior, and industrial relevance of these innovative solvent systems, while also highlighting emerging developments in machine learning-guided solvent discovery, CO2 recycling, biocatalysis, cryoprotection, and advanced DES@MOF hybrid materials.
Special emphasis is placed on sustainable technologies and industrial translation, demonstrating how DESs can bridge the gap between laboratory innovation and real-world implementation. The book further examines techno-economic considerations, patent landscapes, and challenges associated with large-scale adoption, offering valuable perspectives for future development.
Features:
• Comprehensive coverage of DESs and NADES in sustainable chemistry.
• Emerging applications in catalysis, pharmaceuticals, polymers, agriculture, and energy systems.
• Insights into machine learning, industrial production, and techno-economic aspects.
• Discussion of environmental impact, toxicity, biodegradability, and green processing.
This book serves as a valuable reference for researchers, academicians, industry professionals, and policymakers working in green chemistry, materials science, chemical engineering, and sustainable technologies.
Zielgruppe
Postgraduate and Professional Reference
Autoren/Hrsg.
Fachgebiete
- Naturwissenschaften Chemie Analytische Chemie Umweltchemie, Lebensmittelchemie
- Technische Wissenschaften Verfahrenstechnik | Chemieingenieurwesen | Biotechnologie Verfahrenstechnik, Chemieingenieurwesen
- Naturwissenschaften Chemie Chemie Allgemein
- Geowissenschaften Umweltwissenschaften Umweltwissenschaften
Weitere Infos & Material
Chapter 1. Thermodynamic Insights into Deep Eutectic Solvents
1.1. Introduction
1.2. Classification of DESs
1.3. Preparation Method
1.4. Thermal Aspects and Properties of DESs
1.4.1. Phase Transition Characteristics
1.4.2. Melting Point Decrease in Deep Eutectic Solvents
1.4.3. Density
1.4.4. Viscosity
1.4.5. Conductivity
1.4.6. Surface Tension
1.4.7. Optical Density and Refractive Traits of DESs
1.4.8. Polarity
1.4.9. pH
1.5. Hydrophilic and Hydrophobic Behaviour of Deep Eutectic Solvents
1.6. Toxicity of DESs
1.7. Biodegradability
1.8. Effect of Water
1.9. Conclusion
Chapter 2. Unravelling the Environmental Profile of Deep Eutectic Solvents
2.1. Introduction
2.2. DES detection methods 2.2.1. Cytotoxicity assay 2.2.1.1. WST-1 assay 2.2.1.2. MTT/ MTS assay 2.2.2. Phytotoxicity assay 2.2.3. Microbial toxicity bioassay 2.2.3.1. Microtox bioassay 2.2.3.2. Inhibition effect of DES 2.2.4. Biodegradability test
2.3. Environmental Profile 2.3.1. Ecotoxicity 2.3.2. Biodegradability 2.3.3. Renewability 2.3.4. Life Cycle Assessment (LCA)
2.4. Conclusion and outlook
Chapter 3. Novel Green Catalytic Approach for Chemical Transformation Using Deep Eutectic Solvents
3.1. Introduction
3.2. Fundamentals of Deep Eutectic Solvents
3.2.1 Composition and Preparation
3.2.2 Classification
3.2.3 Physicochemical Properties
3.2.4 Comparison with Ionic Liquids
3.3. Synthesis of DESs
3.3.1 Classical Heating and Stirring Method
3.3.2 Solvent-Assisted Method
3.3.3 Mechanochemical and Microwave-Assisted Methods
3.3.4 Aqueous Dilution and Evaporation Method
3.3.5 Mechanistic Insights and Applications
3.4 DESs in Chemical Transformations
3.5 Advantages and Limitations in Catalytic Use
3.6 Future Directions
3.7 Conclusion
3.8 References
Chapter 4. Harnessing the Power of Deep Eutectic Solvents - Applications and Advances
4.1. Introduction
4.2. Need to Harness the Power of Deep Eutectic Solvents (DESs)
4.3. Selected Applications of Deep Eutectic Solvents (DESs) 4.3.1. Extraction and Separation processes 4.3.1.1. Extraction of various environmental pollutants 4.3.1.2. Extraction of various biomolecules 4.3.1.3. Extraction of various metals 4.3.2. Catalysis 4.3.2.1. Homogeneous catalysis 4.3.2.2. Heterogeneous catalysis 4.3.2.3. Biocatalysis 4.3.2.4. Photocatalysis 4.3.2.5. Electrocatalysis 4.3.3. Organic Synthesis 4.3.4. Pharmaceutical and Drug Delivery 4.3.5. Food Industry 4.3.6. Gas Capture 4.3.7. Electrochemistry
4.4. Advances in DESs
4.5. Conclusion
Chapter 5. Deep Eutectic Solvents in Batteries for Sustainable Energy
5.1. Introduction
5.1.1 Structure and chemical composition of DES
5.1.2. Fundamentals of DES
5.2.1 Electrochemical window and electrochemical stability
5.2.2. Ionic conductivity and viscosity
5.2.3 Low Volatility and Nonflammability
5.2.4 Density
5.2. DESs used for energy storage applications
5.2.1 Li-Ion Batteries
5.2.2 Zn-ion Batteries
5.2.3 Al-Ion Batteries
5.2.4 Redox flow batteries
5.2.5 Capacitors
5.3. Recycling of batteries using DESs
5.4. Future perspectives
5.5. Conclusion
Chapter 6. Recent Patents in Deep Eutectic Solvents
6.1. Introduction
6.2. Recent Patents in DES
6.2.1. General DES composition innovations
6.2.2. DES in extraction and resource recovery
6.2.3. DES in food, pharmaceuticals and personal care
6.2.4. DES in Biomass Processing and Recycling
6.2.5. DES in functional materials and environmental applications
6.3. Conclusion and future prospects
Chapter 7. Computational Modeling And Molecular Simulations Of Deep Eutectic Solvents
7.1. Introduction
7.1.1. Defining green chemistry solvents
7.1.2. Fundamental principles and structural features of deep eutectic solvents
7.1.3. The computational imperative: exploring the DES chemical space
7.2. Theoretical Foundations of DESs 7.2.1. Thermodynamics of Eutectic Systems 7.2.2. Integration of knowledge in designing deep eutectic solvents
7.3. Core computational methodologies for DES modelling 7.3.1. Quantum mechanical (QM) approaches 7.3.2. Classical molecular dynamics simulations 7.3.3. Enhanced sampling techniques and free energy
7.4. Molecular docking and solute-DES interactions 7.4.1. General principles of molecular docking
7.4.2. Complexity of docking in functionalized deep eutectic solvents
7.4.3. Docking analysis for predicting solubility for drug compounds and natural extracts 7.4.4. Computational docking and biocatalysis in deep eutectic solvents 7.4.5. Docking, microenvironment and catalytic residues
7.5. Case studies: applications of computation DES research
7.5.1. Biocatalysis and stability of enzymes
7.5.2 Improved bioactive compound extraction
7.5.3. Electrochemical and energy applications (ion transport)
7.5.4. CO2 capture and gas solubility
7.6. Challenges and future directions 7.6.1. The accuracy problem in current force fields 7.6.2. Computational cost for viscous DESs 7.6.3. Machine learning and high-throughput predictive design
7.6.4. Anticipated advances in quantum modelling
7.7. Conclusion
Chapter 8. Superior Polymerization Techniques Using Deep Eutectic Solvents
8.1 Introduction
8. 1.1. Overview of Polymerization Techniques
8.1.2. Evolution of Green Solvent Systems
8.1.3. Scope and Significance of Deep Eutectic Solvents in Polymer Chemistry
8.2. Fundamentals of Deep Eutectic Solvents
8.2.1. Definition and Classification of DESs
8.2.3. DESs vs ILs
8.3. Mechanistic Insights into Polymerization in DESs 8.3.1. Solvent–Monomer Interactions
8.4. Polymerization Techniques Using DESs
8.4.1. Free Radical Polymerization
8.4.2. Controlled/Living Polymerization (RAFT, ATRP, NMP)
8.4.3. Polycondensation and Anionic Polymerizations
8.4.4. Ring opening polymerization using DES
8.4.5. Electrochemical and Photopolymerization Techniques
8.4.6. Enzymatic and Bio-Inspired Polymerizations in DESs
8.4.7. Synthesis of Polymeric Hydrogels using DESs
8.5. Applications and Industrial Relevance
8.5.1. Biomedical Devices and Drug Delivery Systems
8.5.2. Sensors and Flexible Electronics
8.5.3. Water Purification and Environmental Remediation
8.5.4. Coatings, Adhesives, and Packaging
8.5.5 Polymer-Based Electrodes and Membranes for Energy Storage
8.6. Challenges and Future Perspectives
8.6.1. Technical Barriers and Scalability Issues
8.6.2. Regulatory and Safety Considerations
8.6.3. Integration with Circular Economy and Bioeconomy
8.6.4 Emerging Trends in DES Formulation and Polymer Design
8.7.Conclusion
Chapter 9. Beyond Traditional Uses: Enhancing Drug Solubility and Compatibility with Deep Eutectic Solvents
9.1. Introduction
9.2. Drug Solubility Enhancement: The Challenges and Strategic Solutions
9.3. Insights into the Thermodynamics and Microstructure of DES
9.4. Characterization of DESs 9.4.1. Thermal Analysis 9.4.1.1. Differential Scanning Calorimetry 9.4.1.2. Thermogravimetric Analysis (TGA) 9.4.2. X-Ray Diffraction Analysis 9.4.3. Vibrational Analysis 9.4.3.1. Fourier Transform Infrared Spectroscopy (FTIR) 9.4.3.2. Raman Spectroscopy 9.4.4. Microscopic Analysis 9.4.4.1. Polarized Optical Microscopy (POM) 9.4.4.2. Hot Stage Microscopy (HSM) 9.4.4.3. Scanning Electron Microscopy (SEM) 9.4.5. Nuclear Magnetic Resonance (NMR) Spectroscopic Analysis 9.4.5.1. Solid State NMR 9.4.5.2. Pulsed field gradient NMR (PFG-NMR)
9.4.5.3. 1H and 13C NMR 9.4.6. Theoretical assessment of DES
9.5. Classification of DESs 9.5.1. Natural Deep Eutectic Solvents (NADESs) 9.5.2. Therapeutic Deep Eutectic Solvents (THEDES) 9.5.2.1. THEDES as Carrier For API 9.5.2.2. One Component API Based THEDES 9.5.2.2.1. Terpene-based DES 9.5.2.2.2. Fatty acid-based DES 9.5.2.2.3. Organic acid-based THEDES 9.5.2.2.4. Amino acid-based DES 9.5.2.3. Two Component API Based THEDES 9.5.2.4. THEDES Free from APIs 9.5.3. Ternary DES
9.6. Role of THEDES in Maximising Drug Delivery for Disease Treatment 9.6.1. Role of THEDES in Promoting Antimicrobial Activity of Drugs 9.6.2. Anti-inflammatory and Wound Healing Properties of THEDES 9.6.3. Role of THEDES in Anti-tuberculosis Therapy 9.6.4. Role of THEDES in Diabetes Treatment 9.6.5. Role of THEDES in Anticancer Therapies
9.7. Pharmacodynamic and Pharmacokinetic Studies of API-based DES
9.8. Solid Pharmaceutical Dosage formation with EMs
9.9. Limitations and Challenges Associated with the Pharmaceutical Applications of DES
9.10. Concluding remarks
Chapter 10. Metal-organic framework accomplished by Deep Eutectic Solvents
10.1. Introduction
10.2. DES and MOFs
10.2.1. Fundamentals of DES
10.2.2. MOFs and MOFs as Adsorbents
10.3. Impact of DES on MOFs
10.3.1. Effect of DES on MOF Architecture
10.3.2. DES Effects on MOF Performance
10.4. MOF synthesis in DES
10.4.1. MOF Synthesis in DESs of the Choline Chloride/Urea Type
10.4.1.1. Phosphonate-Based MOFs
10.4.1.2. Zeolitic Imidazolate Frameworks (ZIFs)
10.4.1.3. Carboxylate-Based MOFs
10.4.2. MOFs synthesised in non-urea DESs
10.5. DES-integrated MOFs for sample preparation
10.5.1. Methodologies for incorporating DES into MOFs
10.5.2. Extraction Technologies Coupled with DES@MOF Composites
10.5.2.1. Solid-phase extraction (SPE)
10.5.2.2. Solid-phase microextraction (SPME)
10.5.2.3. Dispersive SPE (DSPE) and magnetic SPE (MSPE)
10.5.2.4. Molecularly imprinted solid-phase (micro) extraction (MISPE)
10.6. Post-synthetic modification of MOFs using DES
10.6.1. MOFs dispersed in DES
10.6.2. DES@MOF composites
10.7. Applications of DES@MOFs
10.7.1. Sorptive extraction
10.7.1.1. Pharmaceutical analysis
10.7.1.2. Dye analysis
10.7.1.3. Analysis of heavy metals
10.7.1.4. Pesticide analysis
10.7.2. Adsorption and degradation of emerging organic contaminants (EOCs)
10.7.3. Electrochemical and optical sensing applications
10.7.4. Catalytic applications in organic transformations
10.7.5. Energy storage and gas separation technologies
10.7.6. Wastewater treatment and environmental remediation
10.8. Conclusions and future prospects
Chapter 11. NADES as Catalysts and Sustainable Reaction Media: Green Chemistry Perspectives
11.1. Introduction
11.2. Fundamentals of NADES: From Composition to Catalytically Relevant Properties
11.2.1. Components of NADES and its Functional Landscape
11.2.2. Solvation Dynamics and Microheterogeneity in NADES
11.2.3. Catalysis-relevant Physicochemical Properties
11.2.4. Assessment of green metrics and sustainability for NADES in catalysis
11.3. NADES-based Solvent as Reaction Media for Chemical Transformations
11.3.1. NADES as Environment Friendly Safer Replacements
11.3.2. Substrate solubility, microstructure and reactivity in NADES
11.3.3. ILs (Ionic Liquids) and DESs vs NADES: Strengths and Weaknesses
11.3.4. Operating conditions and intensification in NADES-based processes
11.3.5. Representative reactions in NADES media
11.4. Beyond solvents, when the medium becomes an organocatalyst /co-catalyst
11.4.1. Acidic NADES as dual solvent-catalyst systems
11.4.2. Transition state stabilisation via NADES’s hydrogen bond network
11.4.3. Basic NADES for Base-Catalyzed Processes
11.4.4. Chiral NADES as Stereoselective Organocatalysts
11.5. Homogeneous and heterogeneous metal catalysis in NADES media
11.5.1. Homogeneous metal catalysis
11.5.2. Heterogeneous metal catalysis and metal nanoparticle stabilisation by NADES Media
11.5.3. Ligand Free Metal Catalysis via NADES
11.5.4. Recovery and Recycling of Catalyst
11.6. Future Prospects, Challenges and Limitations
11.7. Conclusion
Chapter 12. Natural Deep Eutectic Solvents in Advanced Drug Delivery Systems
12.1. Introduction
12.2. Classification and Fundamental Properties of NADES 12.2.1 Sugar-based NADES in Drug Delivery Systems 12.2.2 Organic acid-based NADES in Drug Delivery Systems 12.2.3 Amino acid-based NADES in Drug Delivery Systems 12.2.4 Terpenoid-based NADES in Drug Delivery Systems
12.3. NADES-based Drug Delivery Routes 12.3.1 Oral Routes for NADES-based Drug Delivery 12.3.2 Transdermal and Topical Routes for NADES-based Drug Delivery 12.3.3 Mucosal Routes for NADES-based Drug Delivery
12.4. Challenges and Future Research Directions
12.5. Conclusion
Chapter 13. Bio-Inspired Antifreezing Strategies in Foods Using Natural Deep Eutectic Solvents
13.1.Introduction
13.2. Fundamentals of Natural Deep Eutectic Solvents
13.2.1. Definition and Classification
13.2.2. Formulation Techniques and Molecular Compositions
13.2.3. Physicochemical Properties of Cryoprotection interest
13.3. Mechanisms of Bio-inspired NADES-Mediated Cryoprotection
13.3.1. Hydrogen Bonding Networks and Water Immobilization
13.3.2. Ice Nucleation Suppression
13.3.3. Ice Recrystallization Inhibition
13.3.4. Glass Transition Behaviour and Vitrification
13.4. Water-Tailoring and its effects on Antifreezing
13.5. Applications in Food Systems
13.5.1. Microbial Cryopreservation
13.5.2. Muscle Foods and Surimi Products
13.5.3. Emulsion Systems and Pickering Emulsions
13.6. Structure-Function Relationships
13.7. Challenges and Limitations
13.7.1. Stability Issues and Amadori Rearrangement
13.7.2. Viscosity and Mass Transfer Limitations
13.7.3. Scale-Up and Industrial Implementations
13.7.4. Regulatory and Safety Considerations
13.8. Conclusion
Chapter 14. Natural Deep Eutectic Solvent vs. Ionic Liquids: Comparative Insights into Structure, Properties, and Applications
14.1. Introduction
14.2. NADES: Formation, Structure, and Roles 14.2.1. Synthesis of NADES 14.2.2 Roles of NADESs in Organisms 14.2.3 Structure of NADES
14.3 Physicochemical Properties of NADESs
14.4 Synthesis of ILs
14.5 Physicochemical Properties of ILs
14.5.1 Density
14.5.2 Viscosity
14.5.3 Surface tension
14.5.4 Thermal conductivity
14.6 Task Specific Ionic Liquids (TSILs)
14.7 An assessment of the main synthesis processes of ILs and DESs
14.8 Applications of NADESs
14.8.1 Using NADESs for Biocatalysis
14.8.2 Using NADESs for Extraction
14.8.3 NADESs for Biomass Pretreatment
14.8.4 NADESs for Clinical Treatment
14.8.5 NADESs for Pharmaceutical and Nutraceutical Product Preparation
14.8.6 NADESs for Electrochemical Detection of Bioactive Materials
14.9 Applications of ILs
14.9.1 Use of ILs as Catalysts
14.9.2 ILs as Soluble Supports
14.9.3 ILs in electrolyte applications
14.9.4 ILs in biomedical applications
14.10 Advantages and Drawbacks
14.11 Future Perspectives and Conclusion
Chapter 15. NADES in Agriculture: Toward Sustainable and Environmentally Friendly Farming Practices
15.1. Introduction
15.2. Composition, Formation, and Types of NADES
15.3. Physicochemical Properties and Advantages Over Conventional Solvents
15.4. Role of NADES in Enhancing Nutrient Uptake and Plant Growth
15.5. NADES-Based Bioformulations for Biopesticides and Biocontrol Agents
15.6. Application of NADES in Seed Priming and Germination Efficiency
15.7. NADES as Carriers for Phytoactive Compounds and Bioinoculants
15.8. Effect of NADES on the Soil Health Improvement and Enhancement of Microbial Activity
15.9. Mitigation of Abiotic Stress through NADES-Mediated Signaling
15.10. Integration of NADES in Organic and Precision Agriculture Systems
15.11. Environmental Impact, Biodegradability, and Safety Assessment
15.12. Commercial Prospects, Limitations, and Technological Challenges
15.13. Future Directions for Scalable NADES-Based Agricultural Practices
15.14. Conclusion
15.15. References
Chapter 16. Combating Restrictions and Control Limits in Deep Eutectic Solvents
16.1 Introduction
16.2 Combating Restrictions and Control Limits 16.2.1 High Viscosity
16.2.2 Thermal and Chemical Instability
16.2.3 Limited Recyclability and Regeneration (i) Nature of the Problem (ii) Challenges in Regeneration (iii) Industrial Implications
16.2.4 Incomplete Toxicological Profiling
16.2.5 Regulatory Hurdles in Commercializing DESs
16.2.6 Limited Solubility Scope
16.2.7 Enzyme Compatibility and Biocatalysis Limitations
16.2.8 Phase Behavior and Water Sensitivity
16.2.9 Limited Component Diversity and Optimization
16.2.10 Scalability and Industrial Integration Challenges
16.2.11 Inadequate Data on Environmental Fate
16.2.12 Side Reactions and Chemical Incompatibility
16.3 Conclusion
Chapter 17. Commercialization of Deep Eutectic Solvents: Trends and Prospects
17.1. Introduction
17.2. Fundamental properties of DESs
17.3. Application areas of DESs with commercial potential
17.4. Current status of DESs commercialization
17.5. DESs Market and Global Perspective on DESs Progress
17.6. Techno-economic feasibility analysis of DESs
17.7. Challenges hindering commercialization
17.8. Strategies for commercial advancement
17.9. Conclusion




