Next Generation Green Solvents

Prof. Pallavi JainProf. Jain has a very luminous academic and professional career. She is currently heading the Student Welfare Department at SRM Institute of Science and Technology, Delhi-NCR Campus, Modinagar, Ghaziabad, India. Dr. Jain received her Ph.D. degree in Chemistry from the Department of Chemistry, Banasthali Vidyapith, Rajasthan, India, in 2017. She has extensive teaching experience of about 20 years. Her research interests focus on the development of transition metal complexes incorporating Schiff base ligands for their biological importance in drug delivery. Her research interests also focus on the synthesis of Deep eutectic solvents. She has authored and co-authored over 85 publications in journals of international repute and contributed more than 65 book chapters. The citation of her work is more than 1550. She has also edited five books.Dr. Sapna RaghavDr. Sapna Raghav obtained her Ph.D. in Chemistry from Banasthali University, Rajasthan, in 2019. Her research interests are centered on Environmental Chemistry, with particular emphasis on water decontamination, chemical sensing, and advanced materials. Dr. Raghav has made significant scholarly contributions, with over 35 research articles published in reputed international journals, including Carbohydrate Polymers, ACS Publications, and the Journal of Molecular Liquids. She has also authored more than 40 book chapters for leading academic publishers such as Elsevier, Springer, Wiley, and CRC Press. In addition, she has edited three books published by Springer and one volume by CRC Press. With over five years of teaching experience, Dr. Raghav currently serves as the Head of the Department of Chemistry at Shree Jagdishprasad Jhabarmal Tibrewala University, Jhunjhunu, Rajasthan. Her academic impact is reflected in her strong research metrics, including an h-index of 17, an i10-index of 27, and more than 1,100 citations, highlighting her contributions to environmental and materials chemistry.Dr. Vishwajit ChavdaDr. Vishwajit Chavda, Ph.D., is a Postdoctoral Researcher in the Department of Environmental Engineering at Kyungpook National University, Daegu, South Korea, specializing in environmental and materials chemistry. He received his Ph.D. in Applied Chemistry from The Maharaja Sayajirao University of Baroda, India, in 2024 under the supervision of Prof. Sanjeev Kumar. He completed his B.Sc. and M.Sc. in Chemistry from Gujarat University in 2020 and earned a PG Diploma in Intellectual Property Rights from Gujarat National Law University in 2023. He has authored over 28 research articles in Scopus-indexed journals, edited 3 book volumes, 13 book chapters, and 7 Indian patents, with ~450 citations and an h-index of 14. His research contributions have been featured in Indian media and highlighted on the cover pages of ACS and Wiley journals. He actively serves as a reviewer for journals published by Elsevier, ACS, RSC, Wiley, Springer, Bentham, and Taylor & Francis (reviewed 200+ articles), and holds lifetime memberships in several scientific societies. His research focuses on nanomaterials, wastewater treatment, environmental remediation, and green/sustainable chemistry, with particular emphasis on advanced functional materials for sustainable applications.Prof. Woong KimProf. Woong Kim is a professor of Environmental Engineering at Kyungpook National University, South Korea. He obtained his Ph.D. degree from a prestigious Korean institute (POSTECH). He published more than 100+ papers in reputed SCOPUS and SCIE journals, with ~7200 citations and an h-index of 48. He is currently associate editor of ‘Biodegradation’, a Springer Nature journal. Also, an editorial board member of 'Microbiology and Biotechnology Letter'. His lab focuses research on various streams like Anaerobic Digestion, Wastewater Treatment, Microalgal Cultivation for Biodiesel Production, Life Cycle Assessment, Electrochemical Harvest of Microalgae, Exploratory Data Analysis Process Performance and Microbial Community, Process Optimization Using Response Surface Methodology, Statistical Analysis of Microbial Community Structure and Dynamics.

• Chapter 1. Thermodynamic Insights into Deep Eutectic Solvents1.1. Introduction1.2. Classification of DESs1.3. Preparation Method1.4. Thermal Aspects and Properties of DESs1.4.1. Phase Transition Characteristics1.4.2. Melting Point Decrease in Deep Eutectic Solvents1.4.3. Density1.4.4. Viscosity1.4.5. Conductivity1.4.6. Surface Tension1.4.7. Optical Density and Refractive Traits of DESs1.4.8. Polarity1.4.9. pH1.5. Hydrophilic and Hydrophobic Behaviour of Deep Eutectic Solvents1.6. Toxicity of DESs1.7. Biodegradability1.8. Effect of Water1.9. ConclusionChapter 2. Unravelling the Environmental Profile of Deep Eutectic Solvents2.1. Introduction2.2. DES detection methods2.2.1. Cytotoxicity assay2.2.1.1. WST-1 assay2.2.1.2. MTT/ MTS assay2.2.2. Phytotoxicity assay2.2.3. Microbial toxicity bioassay2.2.3.1. Microtox bioassay2.2.3.2. Inhibition effect of DES2.2.4. Biodegradability test2.3. Environmental Profile2.3.1. Ecotoxicity2.3.2. Biodegradability2.3.3. Renewability2.3.4. Life Cycle Assessment (LCA)2.4. Conclusion and outlookChapter 3. Novel Green Catalytic Approach for Chemical Transformation Using Deep Eutectic Solvents3.1. Introduction3.2. Fundamentals of Deep Eutectic Solvents3.2.1 Composition and Preparation3.2.2 Classification3.2.3 Physicochemical Properties3.2.4 Comparison with Ionic Liquids3.3. Synthesis of DESs3.3.1 Classical Heating and Stirring Method3.3.2 Solvent-Assisted Method3.3.3 Mechanochemical and Microwave-Assisted Methods3.3.4 Aqueous Dilution and Evaporation Method3.3.5 Mechanistic Insights and Applications3.4 DESs in Chemical Transformations3.5 Advantages and Limitations in Catalytic Use3.6 Future Directions3.7 Conclusion3.8 ReferencesChapter 4. Harnessing the Power of Deep Eutectic Solvents - Applications and Advances4.1. Introduction4.2. 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 processes4.3.1.1. Extraction of various environmental pollutants4.3.1.2. Extraction of various biomolecules4.3.1.3. Extraction of various metals4.3.2. Catalysis4.3.2.1. Homogeneous catalysis4.3.2.2. Heterogeneous catalysis4.3.2.3. Biocatalysis4.3.2.4. Photocatalysis4.3.2.5. Electrocatalysis4.3.3. Organic Synthesis4.3.4. Pharmaceutical and Drug Delivery4.3.5. Food Industry4.3.6. Gas Capture4.3.7. Electrochemistry4.4. Advances in DESs4.5. ConclusionChapter 5. Deep Eutectic Solvents in Batteries for Sustainable Energy5.1. Introduction5.1.1 Structure and chemical composition of DES5.1.2. Fundamentals of DES5.2.1 Electrochemical window and electrochemical stability5.2.2. Ionic conductivity and viscosity5.2.3 Low Volatility and Nonflammability5.2.4 Density5.2. DESs used for energy storage applications5.2.1 Li-Ion Batteries5.2.2 Zn-ion Batteries5.2.3 Al-Ion Batteries5.2.4 Redox flow batteries 5.2.5 Capacitors5.3. Recycling of batteries using DESs5.4. Future perspectives5.5. ConclusionChapter 6. Recent Patents in Deep Eutectic Solvents6.1. Introduction6.2. Recent Patents in DES6.2.1. General DES composition innovations6.2.2. DES in extraction and resource recovery6.2.3. DES in food, pharmaceuticals and personal care6.2.4. DES in Biomass Processing and Recycling6.2.5. DES in functional materials and environmental applications6.3. Conclusion and future prospectsChapter 7. Computational Modeling And Molecular Simulations Of Deep Eutectic Solvents7.1. Introduction7.1.1. Defining green chemistry solvents7.1.2. Fundamental principles and structural features of deep eutectic solvents7.1.3. The computational imperative: exploring the DES chemical space7.2. Theoretical Foundations of DESs7.2.1. Thermodynamics of Eutectic Systems7.2.2. Integration of knowledge in designing deep eutectic solvents7.3. Core computational methodologies for DES modelling7.3.1. Quantum mechanical (QM) approaches7.3.2. Classical molecular dynamics simulations7.3.3. Enhanced sampling techniques and free energy7.4. Molecular docking and solute-DES interactions7.4.1. General principles of molecular docking7.4.2. Complexity of docking in functionalized deep eutectic solvents7.4.3. Docking analysis for predicting solubility for drug compounds and natural extracts7.4.4. Computational docking and biocatalysis in deep eutectic solvents7.4.5. Docking, microenvironment and catalytic residues7.5. Case studies: applications of computation DES research7.5.1. Biocatalysis and stability of enzymes7.5.2 Improved bioactive compound extraction7.5.3. Electrochemical and energy applications (ion transport)7.5.4. CO2 capture and gas solubility7.6. Challenges and future directions7.6.1. The accuracy problem in current force fields7.6.2. Computational cost for viscous DESs7.6.3. Machine learning and high-throughput predictive design7.6.4. Anticipated advances in quantum modelling7.7. ConclusionChapter 8. Superior Polymerization Techniques Using Deep Eutectic Solvents8.1 Introduction8. 1.1. Overview of Polymerization Techniques8.1.2. Evolution of Green Solvent Systems8.1.3. Scope and Significance of Deep Eutectic Solvents in Polymer Chemistry8.2. Fundamentals of Deep Eutectic Solvents8.2.1. Definition and Classification of DESs8.2.3. DESs vs ILs8.3. Mechanistic Insights into Polymerization in DESs 8.3.1. Solvent–Monomer Interactions8.4. Polymerization Techniques Using DESs8.4.1. Free Radical Polymerization8.4.2. Controlled/Living Polymerization (RAFT, ATRP, NMP)8.4.3. Polycondensation and Anionic Polymerizations8.4.4. Ring opening polymerization using DES8.4.5. Electrochemical and Photopolymerization Techniques8.4.6. Enzymatic and Bio-Inspired Polymerizations in DESs8.4.7. Synthesis of Polymeric Hydrogels using DESs8.5. Applications and Industrial Relevance8.5.1. Biomedical Devices and Drug Delivery Systems8.5.2. Sensors and Flexible Electronics8.5.3. Water Purification and Environmental Remediation8.5.4. Coatings, Adhesives, and Packaging8.5.5 Polymer-Based Electrodes and Membranes for Energy Storage8.6. Challenges and Future Perspectives8.6.1. Technical Barriers and Scalability Issues8.6.2. Regulatory and Safety Considerations8.6.3. Integration with Circular Economy and Bioeconomy8.6.4 Emerging Trends in DES Formulation and Polymer Design8.7.ConclusionChapter 9. Beyond Traditional Uses: Enhancing Drug Solubility and Compatibility with Deep Eutectic Solvents9.1. Introduction9.2. Drug Solubility Enhancement: The Challenges and Strategic Solutions9.3. Insights into the Thermodynamics and Microstructure of DES9.4. Characterization of DESs 9.4.1. Thermal Analysis9.4.1.1. Differential Scanning Calorimetry9.4.1.2. Thermogravimetric Analysis (TGA)9.4.2. X-Ray Diffraction Analysis9.4.3. Vibrational Analysis9.4.3.1. Fourier Transform Infrared Spectroscopy (FTIR)9.4.3.2. Raman Spectroscopy9.4.4. 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 Analysis9.4.5.1. Solid State NMR9.4.5.2. Pulsed field gradient NMR (PFG-NMR)9.4.5.3. 1H and 13C NMR9.4.6. Theoretical assessment of DES9.5. Classification of DESs9.5.1. Natural Deep Eutectic Solvents (NADESs)9.5.2. Therapeutic Deep Eutectic Solvents (THEDES)9.5.2.1. THEDES as Carrier For API9.5.2.2. One Component API Based THEDES9.5.2.2.1. Terpene-based DES9.5.2.2.2. Fatty acid-based DES9.5.2.2.3. Organic acid-based THEDES9.5.2.2.4. Amino acid-based DES9.5.2.3. Two Component API Based THEDES9.5.2.4. THEDES Free from APIs9.5.3. Ternary DES9.6. Role of THEDES in Maximising Drug Delivery for Disease Treatment9.6.1. Role of THEDES in Promoting Antimicrobial Activity of Drugs9.6.2. Anti-inflammatory and Wound Healing Properties of THEDES9.6.3. Role of THEDES in Anti-tuberculosis Therapy9.6.4. Role of THEDES in Diabetes Treatment9.6.5. Role of THEDES in Anticancer Therapies9.7. Pharmacodynamic and Pharmacokinetic Studies of API-based DES9.8. Solid Pharmaceutical Dosage formation with EMs9.9. Limitations and Challenges Associated with the Pharmaceutical Applications of DES9.10. Concluding remarksChapter 10. Metal-organic framework accomplished by Deep Eutectic Solvents10.1. Introduction10.2. DES and MOFs10.2.1. Fundamentals of DES10.2.2. MOFs and MOFs as Adsorbents10.3. Impact of DES on MOFs10.3.1. Effect of DES on MOF Architecture10.3.2. DES Effects on MOF Performance10.4. MOF synthesis in DES10.4.1. MOF Synthesis in DESs of the Choline Chloride/Urea Type10.4.1.1. Phosphonate-Based MOFs10.4.1.2. Zeolitic Imidazolate Frameworks (ZIFs)10.4.1.3. Carboxylate-Based MOFs10.4.2. MOFs synthesised in non-urea DESs10.5. DES-integrated MOFs for sample preparation10.5.1. Methodologies for incorporating DES into MOFs10.5.2. Extraction Technologies Coupled with DES@MOF Composites10.5.2.1. 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 DES10.6.1. MOFs dispersed in DES10.6.2. DES@MOF composites10.7. Applications of DES@MOFs10.7.1. Sorptive extraction10.7.1.1. Pharmaceutical analysis10.7.1.2. Dye analysis10.7.1.3. Analysis of heavy metals10.7.1.4. Pesticide analysis10.7.2. Adsorption and degradation of emerging organic contaminants (EOCs)10.7.3. Electrochemical and optical sensing applications10.7.4. Catalytic applications in organic transformations10.7.5. Energy storage and gas separation technologies10.7.6. Wastewater treatment and environmental remediation10.8. Conclusions and future prospectsChapter 11. NADES as Catalysts and Sustainable Reaction Media: Green Chemistry Perspectives11.1. Introduction11.2. Fundamentals of NADES: From Composition to Catalytically Relevant Properties11.2.1. Components of NADES and its Functional Landscape11.2.2. Solvation Dynamics and Microheterogeneity in NADES11.2.3. Catalysis-relevant Physicochemical Properties11.2.4. Assessment of green metrics and sustainability for NADES in catalysis11.3. NADES-based Solvent as Reaction Media for Chemical Transformations11.3.1. NADES as Environment Friendly Safer Replacements11.3.2. Substrate solubility, microstructure and reactivity in NADES11.3.3. ILs (Ionic Liquids) and DESs vs NADES: Strengths and Weaknesses11.3.4. Operating conditions and intensification in NADES-based processes11.3.5. Representative reactions in NADES media11.4. Beyond solvents, when the medium becomes an organocatalyst /co-catalyst11.4.1. Acidic NADES as dual solvent-catalyst systems11.4.2. Transition state stabilisation via NADES’s hydrogen bond network11.4.3. Basic NADES for Base-Catalyzed Processes11.4.4. Chiral NADES as Stereoselective Organocatalysts11.5. Homogeneous and heterogeneous metal catalysis in NADES media11.5.1. Homogeneous metal catalysis11.5.2. Heterogeneous metal catalysis and metal nanoparticle stabilisation by NADES Media11.5.3. Ligand Free Metal Catalysis via NADES11.5.4. Recovery and Recycling of Catalyst11.6. Future Prospects, Challenges and Limitations11.7. ConclusionChapter 12. Natural Deep Eutectic Solvents in Advanced Drug Delivery Systems12.1. Introduction12.2. Classification and Fundamental Properties of NADES12.2.1 Sugar-based NADES in Drug Delivery Systems12.2.2 Organic acid-based NADES in Drug Delivery Systems12.2.3 Amino acid-based NADES in Drug Delivery Systems12.2.4 Terpenoid-based NADES in Drug Delivery Systems12.3. NADES-based Drug Delivery Routes12.3.1 Oral Routes for NADES-based Drug Delivery 12.3.2 Transdermal and Topical Routes for NADES-based Drug Delivery12.3.3 Mucosal Routes for NADES-based Drug Delivery12.4. Challenges and Future Research Directions 12.5. ConclusionChapter 13. Bio-Inspired Antifreezing Strategies in Foods Using Natural Deep Eutectic Solvents13.1.Introduction13.2. Fundamentals of Natural Deep Eutectic Solvents13.2.1. Definition and Classification13.2.2. Formulation Techniques and Molecular Compositions13.2.3. Physicochemical Properties of Cryoprotection interest13.3. Mechanisms of Bio-inspired NADES-Mediated Cryoprotection13.3.1. Hydrogen Bonding Networks and Water Immobilization13.3.2. Ice Nucleation Suppression13.3.3. Ice Recrystallization Inhibition13.3.4. Glass Transition Behaviour and Vitrification13.4. Water-Tailoring and its effects on Antifreezing13.5. Applications in Food Systems13.5.1. Microbial Cryopreservation13.5.2. Muscle Foods and Surimi Products13.5.3. Emulsion Systems and Pickering Emulsions13.6. Structure-Function Relationships13.7. Challenges and Limitations13.7.1. Stability Issues and Amadori Rearrangement13.7.2. Viscosity and Mass Transfer Limitations13.7.3. Scale-Up and Industrial Implementations13.7.4. Regulatory and Safety Considerations13.8. ConclusionChapter 14. Natural Deep Eutectic Solvent vs. Ionic Liquids: Comparative Insights into Structure, Properties, and Applications14.1. Introduction14.2. NADES: Formation, Structure, and Roles14.2.1. Synthesis of NADES14.2.2 Roles of NADESs in Organisms14.2.3 Structure of NADES14.3 Physicochemical Properties of NADESs14.4 Synthesis of ILs14.5 Physicochemical Properties of ILs14.5.1 Density14.5.2 Viscosity14.5.3 Surface tension14.5.4 Thermal conductivity14.6 Task Specific Ionic Liquids (TSILs)14.7 An assessment of the main synthesis processes of ILs and DESs14.8 Applications of NADESs14.8.1 Using NADESs for Biocatalysis14.8.2 Using NADESs for Extraction14.8.3 NADESs for Biomass Pretreatment14.8.4 NADESs for Clinical Treatment14.8.5 NADESs for Pharmaceutical and Nutraceutical Product Preparation14.8.6 NADESs for Electrochemical Detection of Bioactive Materials14.9 Applications of ILs14.9.1 Use of ILs as Catalysts14.9.2 ILs as Soluble Supports14.9.3 ILs in electrolyte applications14.9.4 ILs in biomedical applications14.10 Advantages and Drawbacks14.11 Future Perspectives and ConclusionChapter 15. NADES in Agriculture: Toward Sustainable and Environmentally Friendly Farming Practices15.1. Introduction15.2. Composition, Formation, and Types of NADES15.3. Physicochemical Properties and Advantages Over Conventional Solvents15.4. Role of NADES in Enhancing Nutrient Uptake and Plant Growth15.5. NADES-Based Bioformulations for Biopesticides and Biocontrol Agents15.6. Application of NADES in Seed Priming and Germination Efficiency15.7. NADES as Carriers for Phytoactive Compounds and Bioinoculants15.8. Effect of NADES on the Soil Health Improvement and Enhancement of Microbial Activity15.9. Mitigation of Abiotic Stress through NADES-Mediated Signaling15.10. Integration of NADES in Organic and Precision Agriculture Systems15.11. Environmental Impact, Biodegradability, and Safety Assessment15.12. Commercial Prospects, Limitations, and Technological Challenges15.13. Future Directions for Scalable NADES-Based Agricultural Practices15.14. Conclusion15.15. ReferencesChapter 16. Combating Restrictions and Control Limits in Deep Eutectic Solvents16.1 Introduction16.2 Combating Restrictions and Control Limits16.2.1 High Viscosity16.2.2 Thermal and Chemical Instability16.2.3 Limited Recyclability and Regeneration(i) Nature of the Problem(ii) Challenges in Regeneration(iii) Industrial Implications16.2.4 Incomplete Toxicological Profiling16.2.5 Regulatory Hurdles in Commercializing DESs16.2.6 Limited Solubility Scope16.2.7 Enzyme Compatibility and Biocatalysis Limitations16.2.8 Phase Behavior and Water Sensitivity16.2.9 Limited Component Diversity and Optimization16.2.10 Scalability and Industrial Integration Challenges16.2.11 Inadequate Data on Environmental Fate16.2.12 Side Reactions and Chemical Incompatibility16.3 ConclusionChapter 17. Commercialization of Deep Eutectic Solvents: Trends and Prospects17.1. Introduction17.2. Fundamental properties of DESs17.3. Application areas of DESs with commercial potential17.4. Current status of DESs commercialization17.5. DESs Market and Global Perspective on DESs Progress17.6. Techno-economic feasibility analysis of DESs17.7. Challenges hindering commercialization17.8. Strategies for commercial advancement17.9. Conclusion