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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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Advanced Approaches for Extraction and Characterization of Bioactive Compounds from Natural Products submission deadline 31 Dec 2026 | Viewed by 251 | Submission Open
Keywords: bioactive compounds; natural products; extraction techniques; green extraction; analytical characterization; process optimization
(This special issue belongs to the Section Natural Products Chemistry)
Bioactive Compounds in Traditional Herbal Medicines submission deadline 31 Dec 2026 | Viewed by 243 | Submission Open
Keywords: natural products; medicinal plants; traditional medicine; bioactive molecules; crude drugs; pharmacological activity; molecular mechanisms; phytochemistry; secondary metabolites; ethnopharmacology
(This special issue belongs to the Section Natural Products Chemistry)
Therapeutic Potential of Bioactive Compounds Against Neurodegenerative Diseases submission deadline 31 Dec 2026 | Viewed by 243 | Submission Open
Keywords: neurodegenerative diseases; bioactive compounds; drug discovery; medicinal chemistry; structure-activity relationship; mechanisms of action
(This special issue belongs to the Section Medicinal Chemistry)
Novel Materials for Sensing
edited by and
submission deadline 31 Dec 2026 | Viewed by 242 | Submission Open
Keywords: novel materials; sensor design; nanomaterials; functional polymers; biosensors; chemical sensing; electrochemical detection; fluorescent probe
(This special issue belongs to the Section Materials Chemistry)
Recent Advances in Clean and Efficient Coal Separation submission deadline 31 Dec 2026 | Viewed by 240 | Submission Open
Keywords: coal; intelligentization; flotation; gravity separation; dry separation; coal-based materials; coal-based solid waste; interfacial interaction
(This special issue belongs to the Section Green Chemistry)
Fluorescent and Colorimetric Chemosensors: Design and Practical Applications
edited by
submission deadline 31 Dec 2026 | Viewed by 240 | Submission Open
Keywords: fluorescent probes; colorimetric sensors; chemosensors; molecular recognition; bioimaging; environmental monitoring; supramolecular chemistry; trace analysis
(This special issue belongs to the Section Photochemistry)
Recent Advances in Nanomedicine and Their Toxicological Implications submission deadline 31 Dec 2026 | Viewed by 238 | Submission Open
Keywords: nanomedicine; toxicity; prevention; diagnosis; treatment
(This special issue belongs to the Section Medicinal Chemistry)
Examples and Challenges of Generative AI Use in Inorganic Chemistry Research
edited by Takashiro Akitsu
submission deadline 31 Dec 2026 | Viewed by 234 | Submission Open
Keywords: generative AI in inorganic chemistry; machine learning for inorganic materials; inorganic reaction prediction; AI‑driven coordination chemistry; computational inorganic chemistry; inorganic crystal structure prediction; inorganic synthesis optimization; AI for energy‑related inorganic materials; inorganic photocatalysts; AI‑based electronic structure analysis
(This special issue belongs to the Section Inorganic Chemistry)
Heterogeneous Catalysis and Functional Oxide Materials: A Theme Issue in Honor of Professor Steven L. Suib
edited by
submission deadline 31 Dec 2026 | Viewed by 233 | Submission Open
Keywords: advanced catalytic materials and mechanisms; porous and mesoporous materials synthesis and applications; functional oxide materials; environmental photochemistry and photocatalysis; heterogeneous catalysis; novel characterization techniques for catalysts
(This special issue belongs to the Section Inorganic Chemistry)
Chiral Catalyst Design and Asymmetric Synthesis
edited by Stefano Dughera
submission deadline 31 Dec 2026 | Viewed by 231 | Submission Open
Keywords: chiral catalyst design; asymmetric catalysis; enantioselective synthesis; organocatalysis; green chemistry
(This special issue belongs to the Section Organic Chemistry)
Naphthalene-Based Molecules: Design, Synthesis, and Functional Applications
edited by
submission deadline 31 Dec 2026 | Viewed by 227 | Submission Open
Keywords: naphthalene; design and synthesis; transformations; functional materials; drug discovery
(This special issue belongs to the Section Organic Chemistry)
Protein Kinase: Structure, Function and Inhibitors
edited by
submission deadline 31 Dec 2026 | Viewed by 223 | Submission Open
Keywords: protein kinase; protein phosphorylation; ATP-binding site; allosteric regulation; structure–function relationship; conformational change; cellular signaling pathways; drug discovery; ATP-competitive inhibitors; allosteric inhibitors
(This special issue belongs to the Section Chemical Biology)
Membrane Materials for Wastewater Treatment
edited by Chrysoula Athanasekou
submission deadline 31 Dec 2026 | Viewed by 221 | Submission Open
Keywords: membrane technologies; ultrafiltration; nanofiltration; reverse osmosis; membrane distillation; emerging contaminants; environmental remediation; wastewater treatment
(This special issue belongs to the Section Applied Chemistry)
Featured Review Papers in Gel Biomaterials
edited by , Clara López-Iglesias and
submission deadline 31 Dec 2026 | Viewed by 221 | Submission Open
Keywords: hydrogels; aerogels; proteins; polysaccharides; drug delivery; functional food; regenerative medicine; 3D-bioprinting; biofabrication; personalized medicine
(This special issue belongs to the Section Materials Chemistry)
Chemistry of Grapes and Wine: Analysis Methods, Applications and Challenges
edited by Ignacio Ontañón and Ignacio Arias-Pérez
submission deadline 31 Dec 2026 | Viewed by 215 | Submission Open
Keywords: wine chemistry; grape composition; wine aroma; gas chromatography–mass spectrometry (GC-MS); liquid chromatography–mass spectrometry (LC-MS); spectroscopic techniques; phenolic compounds; metabolomics; chemometrics
(This special issue belongs to the Section Food Chemistry)
Natural Compounds with Anticancer Activity
edited by and Alejandro García-Carrancá
submission deadline 31 Dec 2026 | Viewed by 214 | Submission Open
Keywords: natural compounds; cytotoxicity; cancer; resistance; pharmacognosy; herbal medicine; anticancer drug; secondary metabolites; therapeutic agents
(This special issue belongs to the Section Natural Products Chemistry)
Organic Chemistry in Europe submission deadline 31 Dec 2026 | Viewed by 214 | Submission Open
Keywords: organic synthesis; catalysis; asymmetric synthesis; organometallic chemistry; computational organic chemistry; heterocyclic chemistry; radical chemistry; cross-coupling reactions; C-H activation
(This special issue belongs to the Section Organic Chemistry)
Chemistry of Environmentally Friendly Corrosion Inhibitors Using Emerging Technologies submission deadline 31 Dec 2026 | Viewed by 213 | Submission Open
Keywords: green corrosion inhibitors; computational chemistry; sustainable synthesis; machine learning; adsorption mechanism
Advanced Oxidation Processes for Organic Wastewater Treatment: Recent Advances and Future Prospects submission deadline 31 Dec 2026 | Viewed by 211 | Submission Open
Keywords: advanced oxidation processes; chemical oxidation; reactive oxygen species; organic pollutant degradation; oxidation mechanisms; water chemistry
(This special issue belongs to the Section Green Chemistry)
Synthesis of Functional Materials for Optoelectronics
edited by
submission deadline 31 Dec 2026 | Viewed by 209 | Submission Open
Keywords: optoelectronics; composite materials; nanomaterials; photocatalysis; sensing; synthesis; semiconductor; optical
(This special issue belongs to the Section Materials Chemistry)
Glycomics-Driven Molecular Discovery: Diagnostics, Therapeutics and Vaccines for Global Health
edited by , Arun Everest-Dass and
submission deadline 31 Dec 2026 | Viewed by 209 | Submission Open
Keywords: carbohydrate-based drug discovery; glycoscience; antiviral drugs; anti-infective therapeutics; influenza research; glycotherapeutics; drug-resistant bacteria; biomolecular drug design; cancer; cancer biomarker discovery; anti-cancer drug discovery
(This special issue belongs to the Section Bioorganic Chemistry)
Advances in Protein—Protein Interaction Studies for Therapeutics
edited by and Weijun Xu
submission deadline 31 Dec 2026 | Viewed by 207 | Submission Open
Keywords: protein–protein interactions; ternary complex; proximity inducers; small-molecule drugs; biophysics
(This special issue belongs to the Section Medicinal Chemistry)
Bioactive Compounds and Emerging Technologies in Food Processing and Functional Systems submission deadline 31 Dec 2026 | Viewed by 201 | Submission Open
Keywords: bioactive compounds; emerging non-thermal technologies; active food packaging; nanotechnology; food control; food technology
(This special issue belongs to the Section Food Chemistry)
Extraction and Biological Evaluation of Active Substances in Food submission deadline 31 Dec 2026 | Viewed by 200 | Submission Open
Keywords: bioactive compounds; food-derived active substances; extraction techniques; green extraction; food chemistry; natural products; phytochemicals; antioxidant activity; biological activity; functional foods; nutraceuticals; metabolomic profiling; bioavailability; in vitro bioassays; food bioactives
(This special issue belongs to the Section Food Chemistry)
Design, Surface Engineering, and Applications of Functional Monolayers and Coatings in Chemistry
edited by
submission deadline 31 Dec 2026 | Viewed by 200 | Submission Open
Keywords: nanomaterials; thin layers; self-assembled monolayers; surface modification of nanomaterials; characterization of thin layers; nanometrology; nanomechanics; antimicrobial activity and wetting of surfaces
(This special issue belongs to the Section Materials Chemistry)
Synthesis, Analysis and Applications of Cyclodextrins and Their Derivatives
edited by
submission deadline 31 Dec 2026 | Viewed by 196 | Submission Open
Keywords: cyclodextrins (natural and modified); host–guest inclusion complexes; synthesis of cyclodextrin derivatives; physicochemical measurements; theoretical calculations and molecular modeling; supramolecular chemistry; drug delivery systems; thermodynamics of inclusion processes
(This special issue belongs to the Section Macromolecular Chemistry)
Featured Reviews in Nanochemistry 2026
edited by and
submission deadline 31 Dec 2026 | Viewed by 196 | Submission Open
Keywords: review paper; nanomaterials; nanosynthesis; functional materials; characterization; applications; in situ techniques; operando characterization; modeling and simulation; artificial intelligence; optimization; chemistry
(This special issue belongs to the Section Nanochemistry)
Presence of Emerging and Persistent Contaminants in Environmental Matrices submission deadline 31 Dec 2026 | Viewed by 195 | Submission Open
Keywords: emerging contaminants; persistent organic pollutants (POPs); environmental matrices; environmental risk assessment (ERA)
(This special issue belongs to the Section Green Chemistry)
Environmentally Friendly Biobased Flame Retardants for Polymeric Materials
edited by Yao Yuan and
submission deadline 31 Dec 2026 | Viewed by 192 | Submission Open
Keywords: biobased flame retardants; polymeric materials; sustainable materials; fire safety; green chemistry; biobased coatings; smoke suppression; char formation; multifunctional materials; polymer composites
(This special issue belongs to the Section Materials Chemistry)
Advanced Photocatalytic Materials for Environmental Applications: Synthesis, Characterization, Experimental and Computational Approaches
edited by
submission deadline 31 Dec 2026 | Viewed by 188 | Submission Open
Keywords: solar photocatalysis; biomass valorisation; green H2 production; CO2 reduction; valuable chemicals and fuels production; semiconductors; upconversion; doping; nanocomposites; physico-chemical properties; sustainable materials; computational approaches
(This special issue belongs to the Section Photochemistry)
Chemical Analysis of Bioactive Compounds in Plants
edited by
submission deadline 31 Dec 2026 | Viewed by 184 | Submission Open
Keywords: plant bioactive compounds; natural product analysis; phytochemical profiling; plant metabolomics
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Functional Materials for Photocatalysis, Green Catalysis and Electrochemical Energy Storage
edited by Qianqian Liu and Ruirui Wang
submission deadline 31 Dec 2026 | Viewed by 181 | Submission Open
Keywords: functional materials; photocatalysis; green catalysis; electrochemical energy storage
(This special issue belongs to the Section Materials Chemistry)
Advanced Extraction and Chromatographic Methodologies for the Analysis of Plant Secondary Metabolites and Contaminants in Crops: Innovative Analytical Strategies submission deadline 31 Dec 2026 | Viewed by 179 | Submission Open
Keywords: sample preparation; green extraction technologies; advanced analytical techniques; high-resolution mass spectrometry (HRMS); plant secondary metabolites; contaminants; chemometrics
(This special issue belongs to the Section Analytical Chemistry)
Theoretical Research on Bonding Analysis and Weak Interactions
edited by , and Tosaporn Sattasathuchana
submission deadline 31 Dec 2026 | Viewed by 173 | Submission Open
Keywords: energy decomposition analysis; intermolecular interactions; first principles; many-body effects; fragmentation
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Recent Developments in the Valorization of Agro-Food By-Products and Waste
edited by
submission deadline 31 Dec 2026 | Viewed by 172 | Submission Open
Keywords: agro-food waste; sustainable extraction; bioactive compound; circular economy; biotechnological conversion; sustainable food systems
(This special issue belongs to the Section Green Chemistry)
Enzyme Immobilization and Its Application
edited by Dilek Alagoz
submission deadline 31 Dec 2026 | Viewed by 171 | Submission Open
Keywords: immobilization; industrial enzymes; kinetics; proteins; food; enzyme stabilities; nanostructures
(This special issue belongs to the Section Bioorganic Chemistry)
Targeted Protein Degradation: Emerging Modalities, Mechanisms, and Therapeutic Opportunities
edited by
submission deadline 31 Dec 2026 | Viewed by 170 | Submission Open
Keywords: targeted protein degradation (TPD); proteolysis-targeting chimeras (PROTACs); molecular glues; covalent degraders; next-generation modalities; tissue-specific and stimuli-responsive TPD; AI-assisted and computationally guided TPD design; mechanistic studies; precision medicine
(This special issue belongs to the Section Medicinal Chemistry)
Chemiluminescence and Photoluminescence of Advanced Compounds, 2nd Edition submission deadline 31 Dec 2026 | Viewed by 166 | Submission Open
Keywords: chemiluminescence; photoluminescence; luminescent molecules; luminescent probes; luminescent indicators; bioimaging; immunoassay; sensing; luminescence mechanism
(This special issue belongs to the Section Photochemistry)
Exclusive Feature Papers in Colorants 2026
edited by
submission deadline 31 Dec 2026 | Viewed by 165 | Submission Open
Keywords: colorants; dyes and pigments; sustainable chemistry; functional materials; photosensitive compounds; photodynamic inactivation; organic electronic materials; nanomaterials; sensors; energy applications; structure–property relationships
(This special issue belongs to the Section Colorants)
Sustainable Organic Synthesis: Mechanistic Insights and Reaction Design submission deadline 31 Dec 2026 | Viewed by 165 | Submission Open
Keywords: green chemistry; sustainable synthesis; reaction mechanism; catalysis; mechanochemistry; microwave-assisted synthesis; photochemistry; electrochemistry; biomass valorization; solvent-free reactions; phase-transfer catalysis; computational chemistry; reaction engineering; process intensification
(This special issue belongs to the Section Green Chemistry)
Medicinal Chemistry and Virology Together in the Service of Human Health: In Honor of Prof. Dr. Erik De Clercq on the Occasion of His 85th Birthday
edited by Libor Grubhoffer, and
submission deadline 31 Dec 2026 | Viewed by 164 | Submission Open
Keywords: antiviral agents; medicinal chemistry; virology; nucleoside/nucleotide analogs; HIV therapeutics; drug development
(This special issue belongs to the Section Medicinal Chemistry)
Radiopharmaceuticals and the Applications in Cancer Theranostics
edited by Hugo Cerecetto, and
submission deadline 31 Dec 2026 | Viewed by 163 | Submission Open
Keywords: radiopharmaceutical; theranostic; cancer; personalized medicine; drug-like properties; artificial intelligence
(This special issue belongs to the Section Medicinal Chemistry)
Advances of Heterocycles in Medicinal Chemistry submission deadline 31 Dec 2026 | Viewed by 163 | Submission Open
Keywords: medicinal chemistry; heterocycles; azines; azoles; anticancer agents; anti-tuberculosis; antimicrobial
(This special issue belongs to the Section Medicinal Chemistry)
Exclusive Contributions by the Editorial Board Members (EBMs) of the Inorganic Chemistry Section of Molecules in 2026
edited by
submission deadline 31 Dec 2026 | Viewed by 159 | Submission Open
Keywords: inorganic chemistry; coordination chemistry; main-group chemistry; bioinorganic chemistry; solid-state chemistry; organometallic compounds; inorganic cluster chemistry; metal-based assemblies; inorganic anions; inorganic materials; theoretical inorganic chemistry
(This special issue belongs to the Section Inorganic Chemistry)
Recent Advances in Synthesis and Catalysis of Heterocycles
edited by Yao Zhou and
submission deadline 31 Dec 2026 | Viewed by 157 | Submission Open
Keywords: organic synthesis; radical reaction; green synthesis; photocatalysis; electrocatalysis; transition-metal catalysis; heterocyclic synthesis; nitrogen-containing heterocycles; sulfur-containing heterocycles
(This special issue belongs to the Section Organic Chemistry)
Chemistry and Bioactivity of Essential Oils submission deadline 31 Dec 2026 | Viewed by 157 | Submission Open
Keywords: essential oil; biological activity; extraction methods; GC-MS analysis; formulation methods; structure–activity relationship; phytochemical profiling; quality control; mechanisms of action
(This special issue belongs to the Section Natural Products Chemistry)
Current State and Future Perspectives of Polymer-Based Composite Electrolytes
edited by and Xuanbo Zhu
submission deadline 31 Dec 2026 | Viewed by 155 | Submission Open
Keywords: functional polymer; polymer-based composite electrolytes; ionic conductivity; ion transport mechanisms; structure–property relationships; AI-driven materials design; flexible and wearable electronics; solid-state batteries
(This special issue belongs to the Section Electrochemistry)
Anticancer Natural Products: Synthetic Strategies and Biological Evaluation
edited by
submission deadline 31 Dec 2026 | Viewed by 154 | Submission Open
Keywords: anticancer natural products; total synthesis; semi-synthesis; structural modification; rational drug design; structure-activity relationship; biological evaluation; cytotoxicity; drug discovery
(This special issue belongs to the Section Natural Products Chemistry)
Advancements in Pharmaceutical Analysis Techniques
edited by and Maya Georgieva
submission deadline 31 Dec 2026 | Viewed by 152 | Submission Open
Keywords: biosimilars; quality control; design of experiments approach; analytical and functional similarity; analytical methods; ICH guidelines
(This special issue belongs to the Section Analytical Chemistry)
Intelligent and Biomimetic Nanocarriers for Precision Cancer Therapy
edited by Suping Li
submission deadline 31 Dec 2026 | Viewed by 149 | Submission Open
Keywords: intelligent drug delivery; biomimetic nanotechnologies; precision oncology
(This special issue belongs to the Section Medicinal Chemistry)
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