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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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Recent Advances in Asymmetric Synthesis: From Reagents to Reactions
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 545 | Submission Open
Keywords: asymmetric synthesis; enantioselective catalysis; chiral reagents; asymmetric catalysis; stereoselective reactions; catalyst design; sustainable synthesis; organic synthesis
(This special issue belongs to the Section Organic Chemistry)
Advanced Approaches for Extraction and Characterization of Bioactive Compounds from Natural Products submission deadline 31 Dec 2026 | 1 articles | Viewed by 545 | 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)
Molecular Insights into Essential Oils and Plant Extracts: Chemistry, Bioactivity, and Functional Relevance submission deadline 31 Dec 2026 | 1 articles | Viewed by 535 | Submission Open
Keywords: essential oils; plants; bioactivity; functional foods
(This special issue belongs to the Section Natural Products Chemistry)
Chemistry of Amino Acids, Peptides, and Proteins
edited by and Nicholas Truex
submission deadline 31 Dec 2026 | Viewed by 529 | Submission Open
Keywords: amino acids; peptides; proteins; synthesis; derivatives; characterization; structural studies; biophysical properties; natural products
(This special issue belongs to the Section Macromolecular Chemistry)
Bioactive Molecules in Sustainable Food Packaging: From Natural Sources to Functional Materials
edited by Mia Kurek
submission deadline 31 Dec 2026 | 2 articles | Viewed by 525 | Submission Open
Keywords: functional food packaging materials; controlled release; stability of active compounds; scalability
(This special issue belongs to the Section Materials Chemistry)
Next-Generation Electrochemical Sensors for a Sustainable Future submission deadline 31 Dec 2026 | 1 articles | Viewed by 512 | Submission Open
Keywords: electrochemical sensors; next-generation sensors; sustainable materials; novel materials; sustainable applications
(This special issue belongs to the Section Electrochemistry)
New Insights into Porous Carbon Materials for a Sustainable Future
edited by
submission deadline 31 Dec 2026 | Viewed by 494 | Submission Open
Keywords: porous carbon materials; biomass-derived carbon; waste-to-carbon; energy storage; carbon capture; supercapacitors; green synthesis; functionalized carbon; environmental applications
Advanced Materials for Efficient Sulfur Removal in Industrial and Environmental Applications
edited by and Tendai O. Dembaremba
submission deadline 31 Dec 2026 | Viewed by 486 | Submission Open
Keywords: industrial desulfurization; catalytic sulfur removal; nanostructured catalysts; hydrodesulfurization (HDS); environmental catalysis; SOx emission control; clean fuel production; process scalability
Chromatographic Methods for Monitoring Food Safety and Quality—Second Edition submission deadline 31 Dec 2026 | Viewed by 470 | Submission Open
Keywords: antibiotics; bioactive compounds; chromatography; contaminants; food chemistry; food authentication; food quality; food safety; method validation; microplastics; pesticides; veterinary drugs
(This special issue belongs to the Section Analytical Chemistry)
Chemical Design of Nanocomposite Materials for Enhanced Electrochemical Performance
edited by and Xingxing Jiao
submission deadline 31 Dec 2026 | Viewed by 466 | Submission Open
Keywords: nanocomposite materials; electrochemical properties; lithium batteries; solid-state electrolytes; interfacial electrochemistry; ionic conductivity; electrode design; theoretical calculations
(This special issue belongs to the Section Electrochemistry)
Functional Carbon Materials from Biomass for Environmental Applications
edited by
submission deadline 31 Dec 2026 | Viewed by 464 | Submission Open
Keywords: biomass-derived carbon; functional carbon materials; activated carbon; biochar; porous carbon; surface functionalization; structure-property relationships; biomass valorization; circular economy; environmental remediation; water treatment; adsorption and catalysis; electrocatalysis; green synthesis; sustainable materials
(This special issue belongs to the Section Materials Chemistry)
Advances in Anticancer Activity of Natural Compounds: New Findings and Potential Applications
edited by , and Melissa García-Carrasco
submission deadline 31 Dec 2026 | Viewed by 456 | Submission Open
Keywords: cancer; natural compound; drug discovery; bioactive compounds; encapsulation technology; molecular mechanisms; translational oncology; therapeutic applications
(This special issue belongs to the Section Natural Products Chemistry)
Catalysis for Drug Discovery
edited by
submission deadline 31 Dec 2026 | Viewed by 446 | Submission Open
Keywords: organic synthesis; metal catalysis; organocatalysis; asymmetric catalysis; photocatalysis; electrocatalysis; drug discovery
(This special issue belongs to the Section Organic Chemistry)
Exploring Bioactive Polyphenolic Compounds in Food and Natural Real-World Samples, 3rd Edition
edited by and Katia Arena
submission deadline 31 Dec 2026 | Viewed by 444 | Submission Open
Keywords: polyphenols; foods; natural products; comprehensive two-dimensional liquid chromatography
(This special issue belongs to the Section Natural Products Chemistry)
Molecular Spectroscopy and Molecular Structure
edited by , and Yukihiro Ozaki
submission deadline 31 Dec 2026 | Viewed by 435 | Submission Open
Keywords: molecular spectroscopy; molecular structure; applications in biological sciences; applications in materials science; molecular interaction; hydrogen bonds; methodological development; quantum chemical calculation
(This special issue belongs to the Section Photochemistry)
New Dereplication Approaches for Targeting Bioactive Metabolites from Natural Products submission deadline 31 Dec 2026 | Viewed by 428 | 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)
Plant Natural Products: From Classical to (Bio)Technological and AI Research submission deadline 31 Dec 2026 | Viewed by 423 | Submission Open
Keywords: extraction and bioassay-guided isolation; bioactivities (communicable diseases like infections and non-communicable diseases like cancer, hyperglycemia, hypertension, diabetes, and hyperpigmentation); plant biosynthetic enzymes; green extraction technology; plant metabolomics and proteomics; molecular simulation (molecular docking and molecular dynamics); chemoinformatics (SAR and QSAR); AI (machine learning and deep learning)
(This special issue belongs to the Section Natural Products Chemistry)
Bee Products: Physicochemical Properties, Bioactivities, and Health Benefits submission deadline 31 Dec 2026 | 1 articles | Viewed by 422 | Submission Open
Keywords: honey bee products; chemical characterization; biological and pharmacological activities; health benefits; side effects of honey bee products
(This special issue belongs to the Section Natural Products Chemistry)
Environmentally Friendly Biobased Flame Retardants for Polymeric Materials
edited by Yao Yuan and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 422 | 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)
Computational Chemistry in Homogeneous and Heterogeneous Catalysis and Surface Chemistry
edited by Haya Kornweitz and
submission deadline 31 Dec 2026 | Viewed by 413 | Submission Open
Keywords: density functional theory (DFT); heterogeneous catalysis; homogeneous catalysis; surface reactions; reaction mechanism; metallic Surfaces; nanoparticles; adsorption; desorption; ab initio calculations; material science; surface modelling; reaction kinetics; thermochemistry and reactivity; transition State theory; potential energy surfaces (PES); hydrogenation; hydrogen evolution reaction (HER); oxygen evolution reaction (OER); CO2 reduction; electrocatalysis; machine learning
Exploring the Modification of Nanocellulose: Strategies for Enhancing Properties and Expanding Applications submission deadline 31 Dec 2026 | Viewed by 403 | Submission Open
Keywords: nanocellulose; cellulose-polymer composites; cellulose nanofibers (CNFs); cellulose nanocrystals (CNCs); cellulose processing; nanocellulose functionalization; TEMPO cellulose; surface modification; grafting; nanocellulose biosensors
(This special issue belongs to the Section Macromolecular Chemistry)
Bioactive and Nutritional Molecules: From Natural Sources to Therapeutic and Health Applications, 2nd Edition
edited by
submission deadline 31 Dec 2026 | Viewed by 398 | Submission Open
Keywords: bioactive and nutritional molecules; natural therapeutic agents; bioactive compounds
(This special issue belongs to the Section Cross-Field Chemistry)
Benefits, Properties and Innovative Uses of Flavonoids submission deadline 31 Dec 2026 | Viewed by 389 | Submission Open
Keywords: flavonoids; polyphenols; cocrystals; bioactive compounds; antioxidant activity; health benefits; functional foods; nutraceuticals; solubility; bioavailability
(This special issue belongs to the Section Natural Products Chemistry)
Design, Synthesis, and Biological Evaluation of Novel Metal Complexes submission deadline 31 Dec 2026 | Viewed by 385 | Submission Open
Keywords: coordination compound; 3d metal complexes; biological activity; anticancer activity; selectivity; toxicity; antioxidant activity; antibacterial activity; mechanism of action
(This special issue belongs to the Section Medicinal Chemistry)
Plant-Derived Natural Products: Isolation, Structural Characterization, and Bioactivities
edited by Felipe Moura Araújo da Silva, and
submission deadline 31 Dec 2026 | Viewed by 356 | Submission Open
Keywords: phytochemistry; medicinal plants; nuclear magnetic resonance (NMR); LC-MS; GC-MS; plant metabolomics; untargeted metabolomics; bioactivity-guided fractionation; pharmacological evaluation; pharmacognosy
(This special issue belongs to the Section Natural Products Chemistry)
Computational Chemistry of Non-Covalent and Coordination Interactions submission deadline 31 Dec 2026 | Viewed by 352 | 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)
Bioactive Phytochemicals as Antioxidant Agents submission deadline 31 Dec 2026 | Viewed by 339 | Submission Open
Keywords: natural-based bioactive compounds; phytochemicals; antioxidants; biological activity; additives; adjuvants, nutraceuticals; food products; pharmaceutical products
(This special issue belongs to the Section Natural Products Chemistry)
From Discovery to Delivery: Novel Anticancer Molecules and Advanced Targeting Strategies
edited by
submission deadline 31 Dec 2026 | Viewed by 332 | Submission Open
Keywords: anticancer drug discovery; targeted drug delivery; nanocarriers; tumor-targeting ligands; controlled release
(This special issue belongs to the Section Medicinal Chemistry)
Advances in Biomass Conversion, Biofuel Production and Biorefinery Processes submission deadline 31 Dec 2026 | Viewed by 329 | Submission Open
Keywords: biomass conversion; biofuels; catalysis; biorefinery integration; CO2 utilization; hydrogen production; energy storage; life-cycle and techno-economic analysis
(This special issue belongs to the Section Green Chemistry)
Chemometrics and Machine Learning in Forensic Chemistry
edited by Eugenio Alladio
submission deadline 31 Dec 2026 | Viewed by 329 | 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)
Coordination Compounds: Synthesis, Structural Characterization and Versatile Biological Applications
edited by
submission deadline 31 Dec 2026 | Viewed by 325 | 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)
Advanced Analytical Strategies and Innovative Processing Technologies for Food Quality and Safety submission deadline 31 Dec 2026 | Viewed by 318 | Submission Open
Keywords: food quality and safety assurance; innovative food processing (HPP, PEF, Cold Plasma, etc.); pesticide residue analysis and mitigation; food contaminants; non-targeted analysis (NTA); food contact materials and NIAS analysis; food fingerprinting and authenticity; personalized nutrition and bioactive stability; AI and chemometric modeling in food science; advanced mass spectrometry (UPLC-MS/MS, GC-HRMS)
(This special issue belongs to the Section Food Chemistry)
Advances in Functional Materials for Heterogeneous Electrocatalysis
edited by
submission deadline 31 Dec 2026 | Viewed by 317 | Submission Open
Keywords: interfacial interactions; environmental sustainability; energy conversion; water remediation; in situ characterization; first-principles calculations; machine learning
(This special issue belongs to the Section Electrochemistry)
Chemical Characterization and Anti-Inflammatory/Antinociceptive Activities of Extracts from Medicinal Plants submission deadline 31 Dec 2026 | Viewed by 317 | 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)
Current Advances in Biodegradable Polymers
edited by Aurelio Ramírez-Hernández and Alejandro Aparicio-Saguilán
submission deadline 31 Dec 2026 | Viewed by 314 | 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)
Isolation and Functions of Bioactive Peptides in Food
edited by Noé Ontiveros and Oscar Gerardo Figueroa Salcido
submission deadline 31 Dec 2026 | Viewed by 314 | 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)
Bioactive Compounds in Plant-Derived Extracellular Vesicles and Their Biomedical Applications
edited by
submission deadline 31 Dec 2026 | Viewed by 312 | 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)
New Synthetic Drugs of Abuse submission deadline 31 Dec 2026 | Viewed by 311 | 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)
Advances in Small Bioactive Molecules: From Molecular Pathways to Health Benefits submission deadline 31 Dec 2026 | Viewed by 305 | 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)
Stimuli-Responsive Molecular Crystals: From Structure to Function
edited by
submission deadline 31 Dec 2026 | Viewed by 303 | 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)
Fluorescent Organic Molecules: Design, Properties, and Applications
edited by Minghao Hu
submission deadline 31 Dec 2026 | Viewed by 301 | Submission Open
Keywords: fluorescent organic molecules; molecular design; photophysical properties; bioimaging; chemical sensing; biomedical applications
(This special issue belongs to the Section Photochemistry)
Essential Oils in Food Safety and Human Health: Bioactive Phytochemistry, Mechanisms of Action, and Applications submission deadline 31 Dec 2026 | Viewed by 298 | 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)
Synthesis of Innovative and Smart Materials for Batteries
edited by and Kangyu Zou
submission deadline 31 Dec 2026 | Viewed by 293 | Submission Open
Keywords: batteries; energy storage; electrodes; materials design; smart functional components
(This special issue belongs to the Section Materials Chemistry)
Structure and Bonding of Compounds: Experimental and Theoretical Studies submission deadline 31 Dec 2026 | Viewed by 285 | 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)
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 279 | Submission Open
Keywords: nanocomposites; microcomposites; shielding; radiation; ionizing radiation
(This special issue belongs to the Section Materials Chemistry)
Application of Polyacrylonitrile in Catalytic Conversion and Environmental Remediation
edited by
submission deadline 31 Dec 2026 | Viewed by 277 | Submission Open
Keywords: polyacrylonitrile (PAN); environmental remediation; catalytic conversion; functionalized composites
(This special issue belongs to the Section Macromolecular Chemistry)
Electrochemical Approaches in Bioanalysis: Translational Applications in Medicine and Environmental Monitoring
edited by Mihaela Tertis
submission deadline 31 Dec 2026 | Viewed by 277 | 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 263 | Submission Open
Keywords: environmental analytical chemistry; environmental monitoring; pollution control; pollution monitoring; green methodologies
(This special issue belongs to the Section Analytical Chemistry)
Bioactive Compounds in Traditional Herbal Medicines submission deadline 31 Dec 2026 | Viewed by 257 | 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 256 | 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)
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