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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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Current Advances in Biodegradable Polymers
edited by Aurelio Ramírez-Hernández and Alejandro Aparicio-Saguilán
submission deadline 31 Dec 2026 | Viewed by 232 | Submission Open
Keywords: natural and synthetic polymers; biodegradation; synthesis; characterization; composites; nanomaterials; processing; environmental impact; molecular modeling
(This special issue belongs to the Section Materials Chemistry)
Coordination Compounds: Synthesis, Structural Characterization and Versatile Biological Applications
edited by
submission deadline 31 Dec 2026 | Viewed by 229 | Submission Open
Keywords: coordination compounds; essential/non-essential metal ions; biological activity; antitumor; antimicrobial; in vitro assays; carrier; inorganic/organic matrix
(This special issue belongs to the Section Inorganic Chemistry)
Stimuli-Responsive Molecular Crystals: From Structure to Function
edited by
submission deadline 31 Dec 2026 | Viewed by 223 | Submission Open
Keywords: stimuli-responsive molecular crystals; thermosalient and photosalient effects; supramolecular chemistry and crystal engineering; molecular design and polymorphism; anisotropic thermal expansion and molecular packing effects; solid-state phase transitions; crystallography under external stimuli; structure– property relationships in molecular solids; computational chemistry of molecular crystals
(This special issue belongs to the Section Materials Chemistry)
Computational Chemistry of Non-Covalent and Coordination Interactions submission deadline 31 Dec 2026 | Viewed by 219 | Submission Open
Keywords: noncovalent interactions; coordination compounds; hydrogen bonds; metal complexes; stacking interactions; π -interactions; computational chemistry; density functional theory
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Electrochemical Approaches in Bioanalysis: Translational Applications in Medicine and Environmental Monitoring
edited by Mihaela Tertis
submission deadline 31 Dec 2026 | Viewed by 216 | Submission Open
Keywords: electrochemical bioanalysis; sensors and biosensors; nanomaterials and biomimetic-based platforms; point-of-care diagnostics; environmental monitoring
(This special issue belongs to the Section Electrochemistry)
Analytical Techniques for Environmental Contamination
edited by Shiming Song
submission deadline 31 Dec 2026 | Viewed by 214 | Submission Open
Keywords: environmental analytical chemistry; environmental monitoring; pollution control; pollution monitoring; green methodologies
(This special issue belongs to the Section Analytical Chemistry)
From Discovery to Delivery: Novel Anticancer Molecules and Advanced Targeting Strategies
edited by
submission deadline 31 Dec 2026 | Viewed by 213 | Submission Open
Keywords: anticancer drug discovery; targeted drug delivery; nanocarriers; tumor-targeting ligands; controlled release
(This special issue belongs to the Section Medicinal Chemistry)
New Synthetic Drugs of Abuse submission deadline 31 Dec 2026 | Viewed by 209 | Submission Open
Keywords: new psychoactive substances (NPS); structure– activity relationships; pharmacokinetics and pharmacodynamics; toxicological mechanisms; advanced analytical methodologies; biomarkers of exposure
(This special issue belongs to the Section Medicinal Chemistry)
Chemical Characterization and Anti-Inflammatory/Antinociceptive Activities of Extracts from Medicinal Plants submission deadline 31 Dec 2026 | Viewed by 209 | Submission Open
Keywords: medicinal plants; phytochemistry; plant extracts; chemical characterization; bioactive compounds; anti-inflammatory activity; antinociceptive activity; natural products
(This special issue belongs to the Section Natural Products Chemistry)
Isolation and Functions of Bioactive Peptides in Food
edited by Noé Ontiveros and Oscar Gerardo Figueroa Salcido
submission deadline 31 Dec 2026 | Viewed by 203 | Submission Open
Keywords: bioactive peptides; protein hydrolysates; functional foods; nutraceuticals; disease prevention; therapy; delivery; in silico
(This special issue belongs to the Section Food Chemistry)
Inclusion Complex: Formation, Structure and Properties
edited by , Wagner De Almeida and
submission deadline 31 Dec 2026 | Viewed by 202 | Submission Open
Keywords: inclusion complex; host– guest interaction; computational chemistry; intermolecular interactions; structural characterization; supramolecular interactions
(This special issue belongs to the Section Molecular Structure)
New Dereplication Approaches for Targeting Bioactive Metabolites from Natural Products submission deadline 31 Dec 2026 | Viewed by 196 | Submission Open
Keywords: natural products; natural sources; bioactive metabolites; dereplication; LC‑MS/MS; chromatographic techniques; NMR spectroscopy; metabolomics; molecular networking; spectral libraries; in silico tools; bioactivity‑guided isolation; antioxidant activity; anti‑inflammatory activity; antimicrobial activity; anticancer activity
(This special issue belongs to the Section Natural Products Chemistry)
Novel Micro- and Nanocomposites as Ionizing Radiation Shielding Materials: From the Concept to Real-Life Protection
edited by
submission deadline 31 Dec 2026 | Viewed by 190 | Submission Open
Keywords: nanocomposites; microcomposites; shielding; radiation; ionizing radiation
(This special issue belongs to the Section Materials Chemistry)
MOF-Based Catalysts for CO2 Capture and Conversion
edited by Ning Liu and
submission deadline 31 Dec 2026 | Viewed by 187 | Submission Open
Keywords: metal– organic frameworks (MOFs); CO2 capture and conversion; heterogeneous catalysis; sustainable catalysis; porous materials; green chemistry; structure– activity relationship; carbon utilization
(This special issue belongs to the Section Materials Chemistry)
Novel Materials for Sensing
edited by and
submission deadline 31 Dec 2026 | Viewed by 187 | 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)
Synthesis of Innovative and Smart Materials for Batteries
edited by and Kangyu Zou
submission deadline 31 Dec 2026 | Viewed by 183 | Submission Open
Keywords: batteries; energy storage; electrodes; materials design; smart functional components
(This special issue belongs to the Section Materials Chemistry)
Chemometrics and Machine Learning in Forensic Chemistry
edited by Eugenio Alladio
submission deadline 31 Dec 2026 | Viewed by 178 | Submission Open
Keywords: chemometrics; machine learning; forensic chemistry; forensic toxicology; multivariate analysis; spectroscopy; imaging; evidence evaluation; classification
(This special issue belongs to the Section Analytical Chemistry)
Structure and Bonding of Compounds: Experimental and Theoretical Studies submission deadline 31 Dec 2026 | Viewed by 177 | Submission Open
Keywords: chemical bonding; bonding analysis; molecular structure; calculations; interactions; MO analysis; VB analysis; quantum theory of atoms in molecules (QTAIM); machine learning; molecular dynamics
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Bioactive Compounds in Plant-Derived Extracellular Vesicles and Their Biomedical Applications
edited by
submission deadline 31 Dec 2026 | Viewed by 174 | Submission Open
Keywords: plant-derived extracellular vesicles; nanomedicine; nanomaterials; biological characteristics; bioactive compounds; biomedical applications; drug delivery
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Nanomedicine and Their Toxicological Implications submission deadline 31 Dec 2026 | Viewed by 173 | Submission Open
Keywords: nanomedicine; toxicity; prevention; diagnosis; treatment
(This special issue belongs to the Section Medicinal Chemistry)
Fluorescent and Colorimetric Chemosensors: Design and Practical Applications
edited by
submission deadline 31 Dec 2026 | Viewed by 172 | 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)
Synthesis of Functional Materials for Optoelectronics
edited by
submission deadline 31 Dec 2026 | Viewed by 170 | Submission Open
Keywords: optoelectronics; composite materials; nanomaterials; photocatalysis; sensing; synthesis; semiconductor; optical
(This special issue belongs to the Section Materials Chemistry)
Bioactive Compounds in Traditional Herbal Medicines submission deadline 31 Dec 2026 | Viewed by 169 | 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)
Recent Advances in Clean and Efficient Coal Separation submission deadline 31 Dec 2026 | Viewed by 163 | 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)
Therapeutic Potential of Bioactive Compounds Against Neurodegenerative Diseases submission deadline 31 Dec 2026 | Viewed by 161 | 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)
Molecular Insights into Essential Oils and Plant Extracts: Chemistry, Bioactivity, and Functional Relevance submission deadline 31 Dec 2026 | Viewed by 160 | Submission Open
Keywords: essential oils; plants; bioactivity; functional foods
(This special issue belongs to the Section Natural Products Chemistry)
Naphthalene-Based Molecules: Design, Synthesis, and Functional Applications
edited by
submission deadline 31 Dec 2026 | Viewed by 158 | Submission Open
Keywords: naphthalene; design and synthesis; transformations; functional materials; drug discovery
(This special issue belongs to the Section Organic Chemistry)
Synthesis, Doping, and Thermoelectric Properties of Chalcogenide Materials
edited by
submission deadline 31 Dec 2026 | Viewed by 158 | Submission Open
Keywords: chalcogenide thermoelectrics; chemical synthesis and modification; doping and defect chemistry; non-stoichiometry and vacancies; structure-property relationships; electron-phonon interactions; low lattice thermal conductivity
(This special issue belongs to the Section Materials Chemistry)
Applied Analytical Chemistry: Third Edition submission deadline 31 Dec 2026 | Viewed by 154 | Submission Open
Keywords: food production; forensic practice and archaeology; environmental monitoring; clinical practice; quality control in industry; analysis of plant material
(This special issue belongs to the Section Analytical Chemistry)
Advances in Small Bioactive Molecules: From Molecular Pathways to Health Benefits submission deadline 31 Dec 2026 | Viewed by 150 | Submission Open
Keywords: small bioactive molecules; nutraceuticals; functional foods; disease prevention; diet– health interactions; signal transduction pathways
(This special issue belongs to the Section Medicinal Chemistry)
Membrane Materials for Wastewater Treatment
edited by Chrysoula Athanasekou
submission deadline 31 Dec 2026 | Viewed by 148 | 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 148 | 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)
Bioactive Molecules in Sustainable Food Packaging: From Natural Sources to Functional Materials
edited by Mia Kurek
submission deadline 31 Dec 2026 | Viewed by 147 | Submission Open
Keywords: functional food packaging materials; controlled release; stability of active compounds; scalability
(This special issue belongs to the Section Materials Chemistry)
Presence of Emerging and Persistent Contaminants in Environmental Matrices submission deadline 31 Dec 2026 | Viewed by 147 | Submission Open
Keywords: emerging contaminants; persistent organic pollutants (POPs); environmental matrices; environmental risk assessment (ERA)
(This special issue belongs to the Section Green Chemistry)
Inhibitors in Cancer Therapy submission deadline 31 Dec 2026 | Viewed by 142 | Submission Open
Keywords: cancer therapy; small-molecule inhibitors; medicinal chemistry; drug design; computer-aided drug design (CADD); molecular docking; molecular dynamic simulations; enzyme inhibitors; anticancer drug discover; cancer-related targets
(This special issue belongs to the Section Medicinal Chemistry)
Chiral Catalyst Design and Asymmetric Synthesis
edited by Stefano Dughera
submission deadline 31 Dec 2026 | Viewed by 142 | Submission Open
Keywords: chiral catalyst design; asymmetric catalysis; enantioselective synthesis; organocatalysis; green chemistry
(This special issue belongs to the Section Organic 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 138 | 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)
Advanced Pharmaceutical Analytical Technology—2nd Edition submission deadline 31 Dec 2026 | Viewed by 138 | Submission Open
Keywords: pharmaceutical; quality by design; design of experiments; analytical method; validation; development and optimization; quality control samples
(This special issue belongs to the Section Analytical Chemistry)
Synthesis, Analysis and Applications of Cyclodextrins and Their Derivatives
edited by
submission deadline 31 Dec 2026 | Viewed by 138 | 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)
Design, Surface Engineering, and Applications of Functional Monolayers and Coatings in Chemistry
edited by
submission deadline 31 Dec 2026 | Viewed by 136 | 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)
Advances in Protein—Protein Interaction Studies for Therapeutics
edited by and Weijun Xu
submission deadline 31 Dec 2026 | Viewed by 136 | Submission Open
Keywords: protein– protein interactions; ternary complex; proximity inducers; small-molecule drugs; biophysics
(This special issue belongs to the Section Medicinal 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 133 | 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)
Advanced Approaches for Extraction and Characterization of Bioactive Compounds from Natural Products submission deadline 31 Dec 2026 | Viewed by 130 | 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)
Essential Oils in Food Safety and Human Health: Bioactive Phytochemistry, Mechanisms of Action, and Applications submission deadline 31 Dec 2026 | Viewed by 130 | Submission Open
Keywords: essential oil bioactivity; structure– activity relationships; food safety and preservation; antimicrobial resistance; nanoemulsions; encapsulation; functional foods; nutraceuticals; mechanisms of action; bioavailability and bioaccessibility; active food packaging; in silico molecular docking
(This special issue belongs to the Section Natural Products Chemistry)
Extraction and Biological Evaluation of Active Substances in Food submission deadline 31 Dec 2026 | Viewed by 128 | 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)
Light-Driven Organic Chemistry: Synthesis, Mechanisms, and Photochemical Applications
edited by and Fernando Heering Bartoloni
submission deadline 31 Dec 2026 | Viewed by 126 | Submission Open
Keywords: organic photochemistry; light-driven synthesis; photocatalysis; excited-state chemistry; photophysical properties; mechanistic investigations; photoresponsive molecules
(This special issue belongs to the Section Photochemistry)
Advanced Molecular Detection and Health Risk Evaluation: From Food Hazards to Disease Biomarkers
edited by and
submission deadline 31 Dec 2026 | Viewed by 126 | Submission Open
Keywords: molecular detection; foodborne hazards; emerging contaminants; toxicity mechanisms; nuclear receptors; health risk evaluation; cancer biomarkers
(This special issue belongs to the Section Analytical Chemistry)
Recent Advances of Biochar in Wastewater Treatment submission deadline 31 Dec 2026 | Viewed by 125 | Submission Open
Keywords: biochar; wastewater treatment; adsorption; hybrid treatment; sorbent; catalyst; composite; heavy metals; nutrients; pharmaceuticals; circular economy; life cycle assessment
(This special issue belongs to the Section Applied 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 125 | 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)
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 124 | 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)
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