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Molecules publishes Special Issues to create collections of papers on specific topics, with the aim of building a community of authors and readers to discuss the latest research and develop new ideas and research directions. Special Issues are led by Guest Editors, who are experts on the topic and all Special Issue submissions follow MDPI's standard editorial process. The journal’s Editor-in-Chief and/or designated Editorial Board Member will oversee Guest Editor appointments and Special Issue proposals, checking their content for relevance and ensuring the suitability of the material for the journal. The papers published in a Special Issue will be collected and displayed on a dedicated page of the journal’s website. Further information on MDPI's Special Issue policies and Guest Editor responsibilities can be found here. For any inquiries related to a Special Issue, please contact the Editorial Office.

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Advances of Ionic Liquids in Organic, Polymer and Material Chemistry: Key Trends in Green Chemistry submission deadline 30 Apr 2025 | 22 articles | Viewed by 33719 | Submission Open
Keywords: ionic liquids; green solvents; catalysts; polymer synthesis; advanced materials; electrochemical devices; separation process; nano-materials; biomolecules
(This special issue belongs to the Section Green Chemistry)
Research on Chemical Composition and Activity of Natural Products submission deadline 30 Apr 2025 | 12 articles | Viewed by 30693 | Submission Open
Keywords: natural bioactive compounds; isolation and analysis; metabolism; in vitro and in vivo experiments; pharmacological study
(This special issue belongs to the Section Natural Products Chemistry)
Innovation in Green Extraction and Processing—a Themed Issue in Memory of Professor Farid Chemat for His Outstanding Contributions to Green Chemistry (1968–2023) submission deadline 30 Apr 2025 | 6 articles | Viewed by 18660 | Submission Open
Keywords: green extraction; green solvents; food processing; sustainable processes; ultrasound-assisted extraction; microwave-assisted extraction; green chemistry
Applications and Method Developments of Nuclear Magnetic Resonance (NMR) Spectroscopy and Hyperpolarized Magnetic Resonance Techniques submission deadline 30 Apr 2025 | 7 articles | Viewed by 17665 | Submission Open
Keywords: hyperpolarized magnetic resonance; parahydrogen; dynamic nuclear polarization; optical pumping; contrast agents; low field
(This special issue belongs to the Section Applied Chemistry)
Advanced Magnetic Resonance Methods in Materials Chemistry Analysis
edited by
submission deadline 30 Apr 2025 | 8 articles | Viewed by 17038 | Submission Open
Keywords: molecular dynamics and transport phenomena in polymers; hardening reactions in materials; magnetic  resonance in analysis of pharmaceutical products; chemistry of wood and its products; thermal and other types of processing of foods; electrochemistry and transport phenomena in batteries
(This special issue belongs to the Section Materials Chemistry)
Advances in the Synthesis of Heterocyclic Compounds and Their Applications submission deadline 30 Apr 2025 | 12 articles | Viewed by 16801 | Submission Open
Keywords: biomimetics and new chemical entities (NCEs); domino reactions; "intelligent" molecule; iterative synthesis; multicomponent reactions; organic (Nano)materials; organo-catalytic systems; selective processes; total synthesis; unconventional methods and techniques
(This special issue belongs to the Section Organic Chemistry)
Heterocyclic Compounds: Synthesis and Medicinal Chemistry Applications submission deadline 30 Apr 2025 | 7 articles | Viewed by 14798 | Submission Open
Keywords: medicinal chemistry; heterocycles; organic synthesis; natural products; pharmacophore; artificial intelligence; CNS drugs; antibacterial agents; antiviral drugs; anticancer agents; enzyme modulators; receptor modulators; ion channel modulators
(This special issue belongs to the Section Medicinal Chemistry)
Novel Electrode Materials for Rechargeable Batteries, 2nd Edition
edited by , Wei Zhang and Shiyue Cao
submission deadline 30 Apr 2025 | 8 articles | Viewed by 11234 | Submission Open
Keywords: energy; batteries; electrode materials; synthesis; characterization; practical application
(This special issue belongs to the Section Electrochemistry)
Efficient Catalytic CO2 Chemical Fixation
edited by and
submission deadline 30 Apr 2025 | 7 articles | Viewed by 10012 | Submission Open
Keywords: carbon capture; CO2 sequestration; CO2 chemical fixation; catalytic conversion; syngas; CCU
(This special issue belongs to the Section Green Chemistry)
Physicochemical Research on Material Surfaces
edited by
submission deadline 30 Apr 2025 | 7 articles | Viewed by 8882 | Submission Open
Keywords: coating; surface modification; micro/nano structure; chemical functionalization; biomaterials; bioactivity
(This special issue belongs to the Section Physical Chemistry)
New Materials and Catalysis in Environmental Protection
edited by , and Jorge Colman Lerner
submission deadline 30 Apr 2025 | 6 articles | Viewed by 8620 | Submission Open
Keywords: catalytic materials for biofuel production and hydrogen generation; fuel production from plastic waste: novel catalysts and processes; advancements in reforming technologies: development of innovative catalysts; utilizing waste materials for the development of new functional materials; novel materials for efficient removal of pollutants from water and air
(This special issue belongs to the Section Materials Chemistry)
Advances in Thermochemical Conversion of Solid Wastes
edited by Leilei Dai, , Ruming Pan and
submission deadline 30 Apr 2025 | 3 articles | Viewed by 8327 | Submission Open
Keywords: thermochemical conversion; organic solid waste; catalysis; life cycle assessment; machine learning; kinetic analysis
(This special issue belongs to the Section Green Chemistry)
Lead Compounds Discovery and Antitumor Drug Design
edited by and
submission deadline 30 Apr 2025 | 4 articles | Viewed by 7864 | Submission Open
Keywords: lead compounds; antitumor drugs; medicinal chemistry; computer-aided drug design
(This special issue belongs to the Section Medicinal Chemistry)
Advances in Antibacterial Molecules submission deadline 30 Apr 2025 | 5 articles | Viewed by 7213 | Submission Open
Keywords: bacteria; drug design; drug repositioning; molecular docking; molecular dynamics; bioinformatics; synthesis; biomolecules; targets; in vitro assays; in vivo assays; small molecules; peptides; natural products; mechanism of action
(This special issue belongs to the Section Medicinal Chemistry)
Advances in Analytical Strategies to Study Cultural Heritage Samples, 2nd Edition submission deadline 30 Apr 2025 | 7 articles | Viewed by 7043 | Submission Open
Keywords: sample preparation; trace elements; multi-element analysis; spectrometric techniques; organic compounds; authenticity; chemical characterization; biological remains; pigments
(This special issue belongs to the Section Analytical Chemistry)
Advances in Homogeneous/Heterogeneous Photocatalysis to the Degradation of Pollutants in Water submission deadline 30 Apr 2025 | 4 articles | Viewed by 6819 | Submission Open
Keywords: advanced oxidation processes; heterogeneous photocatalysis; homogeneous photocatalysis; water and wastewater treatment; pollutant abatement; microorganism inactivation
(This special issue belongs to the Section Photochemistry)
Chemical Properties of Photoelectric Materials
edited by
submission deadline 30 Apr 2025 | 4 articles | Viewed by 6402 | Submission Open
Keywords: organic solar cells; electron donors; electron acceptors; multicomponent solar cell; tandem solar cell; photovoltaic module
(This special issue belongs to the Section Materials Chemistry)
Design and Application of Periodic Frameworks
edited by Jiafei Lyu
submission deadline 30 Apr 2025 | 3 articles | Viewed by 6392 | Submission Open
Keywords: metal– organic frameworks (MOFs); covalent organic frameworks (COFs); hydrogen-bonded organic frameworks (HOFs); structure-assembling of periodic frameworks; modification of periodic frameworks; chemical separation by periodic frameworks; catalysis involving periodic frameworks; facile preparation of periodic frameworks; composite materials deviated from periodic frameworks
(This special issue belongs to the Section Materials Chemistry)
Two-Dimensional Materials: From Synthesis to Applications, 2nd Edition submission deadline 30 Apr 2025 | 6 articles | Viewed by 5854 | Submission Open
Keywords: two-dimensional materials; graphene; transition-metal dichalcogenides; spintronics; valleytronics; twistronics; plasmonics; photonics
(This special issue belongs to the Section Materials Chemistry)
Ionic Liquids and Deep Eutectic Solvents: Their Crucial Roles in Green Chemistry
edited by , Angelica Mero and Luca Guglielmero
submission deadline 30 Apr 2025 | 3 articles | Viewed by 5353 | Submission Open
Keywords: ionic liquids; deep eutectic solvents; green chemistry; green energy; sustainable batteries; sustainable media for electronic and electrochemical applications; sustainability; chemical synthesis; catalysis; renewable resources; non-toxic solvents; vapor pressure; thermal stability; solubilizing ability; waste reduction; recyclability; separation processes; eco-friendly solutions
(This special issue belongs to the Section Molecular Liquids)
Advances in Water Electrolysis Technology
edited by
submission deadline 30 Apr 2025 | 4 articles | Viewed by 5309 | Submission Open
Keywords: water electrolysis; design of electrocatalysts; physical chemistry; materials chemistry; electron orbitals; surface chemistry; nano-dimension; experimental methodologies; electron spectroscopy; spectroscopy; theoretical methods; DFT calculation; molecular dynamic simulations; electrolysis reaction mechanism; water electrolyzer
(This special issue belongs to the Section Electrochemistry)
Chemical Composition and Anti-Inflammatory Activity of Essential Oils
edited by
submission deadline 30 Apr 2025 | 3 articles | Viewed by 5303 | Submission Open
Keywords: essential oils; anti-inflammatory activity; chemo-prevention; natural products; inflammation cascade
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Analytical Techniques in Environmental Chemistry, 2nd Edition
edited by
submission deadline 30 Apr 2025 | 2 articles | Viewed by 5030 | Submission Open
Keywords: advanced analytical instrumentation; speciation analysis; method validation; green analytical chemistry; environmental quality assessment; pollutant bioavailability; safe reagents; performance parameters
(This special issue belongs to the Section Cross-Field Chemistry)
Hybrid O/I Sol–Gel-Derived Nanocomposites Systems for Advanced Functional Applications submission deadline 30 Apr 2025 | 4 articles | Viewed by 4551 | Submission Open
Keywords: sol– gel processes; hybrid O/I systems; interfaces in hybrid O/I systems; characterization of hybrid O/I systems; mechanical behavior; thermal behavior; fire behavior; wettability behavior; shape memory effect; advanced functional applications of hybrid O/I systems; sustainability in Hybrid O/I systems
(This special issue belongs to the Section Materials Chemistry)
Isolation, Identification, and Applications of Bioactive Compounds from Marine Plants
edited by
submission deadline 30 Apr 2025 | 2 articles | Viewed by 4503 | Submission Open
Keywords: marine plant; bioactive compounds; metabolite purification; drug discovery; therapeutic target
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Coordination Supramolecular Chemistry submission deadline 30 Apr 2025 | 3 articles | Viewed by 4481 | Submission Open
Keywords: supramolecular chemistry; self-assembly; metal– organic assemblies; molecular architectures; supramolecular materials; chemosensors; selective detection; colorimetric and fluorometric sensors
(This special issue belongs to the Section Organometallic Chemistry)
Advances in the Synthesis and Modification of Low-Cost-Based Adsorbents for Water Treatment
edited by
submission deadline 30 Apr 2025 | 4 articles | Viewed by 4451 | Submission Open
Keywords: absorption; removal; low-cost adsorbents; high surface area; high porosity; anti-interference; high absorption capacity; high reusability; high selectivity; isotherms and kinetics
(This special issue belongs to the Section Green Chemistry)
Advances in the Formulation of Nanocarriers for Healthcare and Environmental Applications submission deadline 30 Apr 2025 | 3 articles | Viewed by 4012 | Submission Open
Keywords: drug delivery systems; nanomedicines; nanotechnologies in agrifood and livestock fields; nanocarriers for target-specific pollutant capture; sustainable nanocarriers for environmental management and remediation
(This special issue belongs to the Section Nanochemistry)
Functional Proteins in Food: Chemistry, Applications, and Health Benefits
edited by
submission deadline 30 Apr 2025 | 2 articles | Viewed by 3732 | Submission Open
Keywords: functional proteins; new protein sources; protein diet; modified protein; human benefits; application; processing; flavor properties
(This special issue belongs to the Section Food Chemistry)
Analytical Chemistry Presents with State-of-the-Art Molecular Recognition and Interaction, 2nd Edition
edited by
submission deadline 30 Apr 2025 | 3 articles | Viewed by 3675 | Submission Open
Keywords: ambient ionization; visualization; mass profiling; chromatography; microfluidics; biosensors; omics research; aptamers
(This special issue belongs to the Section Analytical Chemistry)
Novel Synthetic Macrocycles: Synthesis, Structures, Properties and Applications
edited by
submission deadline 30 Apr 2025 | 2 articles | Viewed by 3639 | Submission Open
Keywords: macrocycles; supramolecular chemistry; host– guest chemistry; synthesis; applications
(This special issue belongs to the Section Macromolecular Chemistry)
Macrocyclic Molecular-Based Materials for Biomedical, Environmental and Energy Conversion Applications
edited by
submission deadline 30 Apr 2025 | 4 articles | Viewed by 3552 | Submission Open
Keywords: macrocyclic molecules; chemosensors; catalysis; photovoltaics; composite catalysts
(This special issue belongs to the Section Photochemistry)
Plant Secondary Metabolites with Medicinal, Nutritional, and Cosmetic Values submission deadline 30 Apr 2025 | 2 articles | Viewed by 3506 | Submission Open
Keywords: phytochemicals; natural products; chemical composition; phytochemical analysis; chromatography; bioactivity assessment; antioxidant effect; antimicrobial activity; anti-inflammatory activity; nutritional value; cosmetic ingredients
(This special issue belongs to the Section Natural Products Chemistry)
Advancements in Adsorbent Materials for Water Purification
edited by and Giovanni Cagnetta
submission deadline 30 Apr 2025 | 2 articles | Viewed by 3368 | Submission Open
Keywords: water and wastewater treatment; organic and inorganic contaminants; adsorption mechanisms; novel adsorbent materials; adsorbent synthesis and characterization; adsorbent regeneration; adsorption isotherms; adsorption kinetics
(This special issue belongs to the Section Materials Chemistry)
Natural Medicines: Chemical Constituents and Pharmacological Activities: 2nd Edition
edited by
submission deadline 30 Apr 2025 | 2 articles | Viewed by 3112 | Submission Open
Keywords: plant extract; natural products; pharmacology; analysis
(This special issue belongs to the Section Natural Products Chemistry)
Advances in the Synthesis and Characterization of Materials for Efficient Energy Storage
edited by
submission deadline 30 Apr 2025 | 2 articles | Viewed by 3109 | Submission Open
Keywords: energy storage materials; batteries; supercapacitors; fuel cells; analysis technology; nanotechnology
(This special issue belongs to the Section Applied Chemistry)
Computational Approaches in Antimicrobial and Antiviral Drug Discovery: Deciphering Drug Binding and Molecular Mechanisms
edited by , and Simone La Frazia
submission deadline 30 Apr 2025 | 3 articles | Viewed by 2966 | Submission Open
Keywords: molecular docking; virtual screening; molecular dynamics simulations; artificial intelligence; antimicrobial or antiviral activity; computational drug discovery; molecular mechanisms; experimental assays
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Design and Synthesis of Organometallic Optoelectronic Materials
edited by
submission deadline 30 Apr 2025 | 2 articles | Viewed by 2850 | Submission Open
Keywords: metal complex; metallated polymer; organometallic materials; non-fullerene acceptor; triplet exciton; charge transfer; organic optoelectronic devices; organic photovoltaics; thick-film solar cell
(This special issue belongs to the Section Photochemistry)
Advanced Electrode Materials for Energy Storage and Conversion Devices
edited by , and Shude Liu
submission deadline 30 Apr 2025 | 2 articles | Viewed by 2677 | Submission Open
Keywords: supercapacitors; batteries; transition metal compounds; carbonaceous materials; organic polymer materials; MOF and MOF-derived materials; materials design; materials analysis
(This special issue belongs to the Section Electrochemistry)
Quantum Chemical Calculations of Molecular Reaction Processes
edited by and Shiro Koseki
submission deadline 30 Apr 2025 | 6 articles | Viewed by 2638 | Submission Open
Keywords: computational chemistry; electronic structure; MO theory; DFT calculation; potential energy surface; reaction process; ab initio molecular dynamics; molecular design
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Enhanced Bioapplications of Biomolecules Mediated by Nanomaterials
edited by and Donghong Yu
submission deadline 30 Apr 2025 | 2 articles | Viewed by 2636 | Submission Open
Keywords: nanofunctional materials; biomolecular recognition; molecular probes; biosensors; micro/nano chips; organic optoelectronic materials; bioenergy materials
(This special issue belongs to the Section Medicinal Chemistry)
Advances in Hydrogen Energy and Fuel Cells
edited by , Jong-Eun Hong, Kannan Ramaiyan and
submission deadline 30 Apr 2025 | Viewed by 2631 | Submission Open
Keywords: low-temperature fuel cells and electrolysis (PEMFCs and AFCs); high-temperature fuel cells and electrolysis (SOFCs); protonic ceramic fuel cells and electrolysis (PEFC and PCEC); perovskite electrolytes and electrodes; solid-state ionic conductors; computational chemistry (e.g.; DFT; MD; and machine learning); hydrogen carriers (ammonia and methane/methanol): electrochemical synthesis and conversion; hybrid components; applications and system integration; diagnostics and monitoring
(This special issue belongs to the Section Green Chemistry)
Advanced Functional Nanomaterials in Medicine and Health Care
edited by Dorota Katarzyna Flak, Tomasz Zalewski, and Łucja Przysiecka
submission deadline 30 Apr 2025 | 2 articles | Viewed by 2571 | Submission Open
Keywords: drug and nucleic acid delivery; imaging/contrast agent delivery; theranostic nanoparticles; nanovaccines; personalised medicine; targeted therapy; nanobiotechnology; nanodevice; regenerative medicine; biosafety/biocompatibility of nanomaterials; stability of nanomaterials in biological fluids; nanotoxicology; pharmacokinetics and pharmacodynamics; nanoinformatics and nanomodelling
(This special issue belongs to the Section Medicinal Chemistry)
Bioelements and Bioactive Metabolites of Natural Origin—Health-Promoting Applications—Second Edition submission deadline 30 Apr 2025 | 1 articles | Viewed by 2550 | Submission Open
Keywords: natural bioactive substances; bioelements; extracts from natural products; mycochemistry; mycelial cultures; prohealth impact on humans; prohealth impact on farm animals; antioxidant activity; antidepressant; anti-inflammatory; anti-cancer; immunostimulatory; cosmetic application; prebiotics
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Heterogeneous Catalysis
edited by Chen Li
submission deadline 30 Apr 2025 | 2 articles | Viewed by 2361 | Submission Open
Keywords: thermal catalysis; electrochemistry; photocatalysis; energy catalysis; environmental catalysis
(This special issue belongs to the Section Green Chemistry)
Recent Advances in Bioactive Compounds for Functional Foods and Nutraceuticals submission deadline 30 Apr 2025 | 1 articles | Viewed by 2357 | Submission Open
Keywords: mass spectrometry; metabolomics; plant interactions; natural products; food nutraceuticals and nutrients
(This special issue belongs to the Section Food Chemistry)
Cutting-Edge Progress in Natural Product-Derived Antimicrobial Drugs submission deadline 30 Apr 2025 | 3 articles | Viewed by 2356 | Submission Open
Keywords: natural products; structural elucidation; bio-activity guided isolation; pathogen; antimicrobial
(This special issue belongs to the Section Natural Products Chemistry)
Discovery of Antibacterial Drugs
edited by
submission deadline 30 Apr 2025 | 3 articles | Viewed by 2336 | Submission Open
Keywords: antibacterial effect; antibiotics; drug discovery; natural compounds; pharmacodynamic and pharmacokinetic characteristics
(This special issue belongs to the Section Medicinal Chemistry)
Organocatalysis: Past, Present, and Future Perspectives
edited by
submission deadline 30 Apr 2025 | 1 articles | Viewed by 2295 | Submission Open
Keywords: organocatalysis; asymmetric organocatalysis; green organocatalysis; aminocatalysis; H-bonding catalysis; N-heterocyclic carbene catalysis; bifunctional catalysis; synergistic catalysis; photo-organocatalysis; heterogeneous organocatalysis; continuous-flow organocatalysis
(This special issue belongs to the Section Organic Chemistry)
Fluorescence Detection with Molecularly Imprinted Sensors
edited by Minjia Meng and Yan Liu
submission deadline 30 Apr 2025 | 1 articles | Viewed by 2157 | Submission Open
Keywords: molecular imprinting techniques; fluorescent test strips; fluorescent sensors; fluorescent imprinted membranes; selective detection
(This special issue belongs to the Section Applied Chemistry)
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