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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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Materials for Wastewater Treatment: Design and Performance submission deadline 31 Aug 2026 | Viewed by 234 | Submission Open
Keywords: scale-up; advanced materials; adsorption; biomaterials; water treatment
(This special issue belongs to the Section Materials Chemistry)
Biohybrid Nanocomposites: When Nature and Nanotechnology Merge to Offer Novel Biomaterials
edited by
submission deadline 31 Aug 2026 | Viewed by 234 | Submission Open
Keywords: bionanocomposites; scaffolds; nanoparticles; surface functionality; sustainability; synthesis; properties; applications
(This special issue belongs to the Section Nanochemistry)
The Application of Nanomaterials in Drug Delivery submission deadline 31 Aug 2026 | Viewed by 221 | Submission Open
Keywords: nanomaterials; drug delivery; nanocarrier synthesis; chemical functionalization; surface engineering; stimuli-responsive systems; supramolecular interactions; computational design
(This special issue belongs to the Section Applied Chemistry)
Magnetic Composite: Structures, Properties, and Potential Applications
edited by
submission deadline 31 Aug 2026 | Viewed by 218 | Submission Open
Keywords: magnetic composites; multifunctional materials; structure–property relationships; interface engineering; hybrid and nanostructured composites; electromagnetic and sensing applications; energy harvest; advanced functional materials; magnetoelectric materials
(This special issue belongs to the Section Materials Chemistry)
Design and Functionalization of Semiconductor Nanomaterials for Photocatalysis
edited by Virgínia Ferreira and
submission deadline 31 Aug 2026 | Viewed by 216 | Submission Open
Keywords: photocatalysis; semiconductor nanoparticles; nanomaterials; heterogeneous catalysis; green photo-catalytic reactions; energy conversion; photo-assisted redox processes; pollutants photodegradation
(This special issue belongs to the Section Materials Chemistry)
Design and Therapeutic Applications of Nano-, Micro-, and Macro-Capsules
edited by
submission deadline 31 Aug 2026 | Viewed by 210 | Submission Open
Keywords: optimization of micro- and nano-encapsulation; encapsulation technologies; capsule; therapeutic applications; medicinal chemistry
(This special issue belongs to the Section Medicinal Chemistry)
Structure and Function Research in Food Chemistry
edited by Nevzat Konar and
submission deadline 31 Aug 2026 | Viewed by 207 | Submission Open
Keywords: food macromolecules; food microstructure; food structure-function relationships; bioactive food compounds; functional food; molecular interactions in food systems
(This special issue belongs to the Section Food Chemistry)
Flame-Retardant Composites: Preparation, Characterization and Properties
edited by Zunbin Duan and Rui Li
submission deadline 31 Aug 2026 | Viewed by 200 | Submission Open
Keywords: flame-retardant molecules; flame-retardant composites; nanomaterials; fire safety technology; polymer engineering
(This special issue belongs to the Section Materials Chemistry)
Design, Synthesis, and Biological Evaluation of Pyridone Derivatives
edited by
submission deadline 31 Aug 2026 | Viewed by 199 | Submission Open
Keywords: pyridones; design and synthesis; extraction; semisynthesis; reactivity; fused-pyridones; biological activities
(This special issue belongs to the Section Organic Chemistry)
Current Trends and Challenges in Biosensors for Medical Applications
edited by and Qiming Chen
submission deadline 31 Aug 2026 | Viewed by 198 | Submission Open
Keywords: biosensing chemistry; molecular recognition; analytical chemistry; chemical transduction; functional materials
(This special issue belongs to the Section Applied Chemistry)
Sustainable Technologies and Green Biomass Applications in Cosmetics and Environmental Protection
edited by
submission deadline 31 Aug 2026 | Viewed by 191 | Submission Open
Keywords: biomass; green technologies; cosmetic applications; environmental applications; sustainable impact
(This special issue belongs to the Section Green Chemistry)
Advanced Oxidation Technologies in Environmental Wastewater Treatment submission deadline 31 Aug 2026 | Viewed by 168 | Submission Open
Keywords: wastewater treatment; disinfection; advanced oxidation technologies; homogeneous and heterogeneous processes; pollutants removal; microorganisms inactivation
(This special issue belongs to the Section Green Chemistry)
Carbon-Based Electrochemical Materials for Energy Storage, 2nd Edition
edited by Huicong Xia
submission deadline 1 Sep 2026 | 2 articles | Viewed by 3046 | Submission Open
Keywords: carbon-based nanomaterials; energy storage; batteries; supercapacitors; fuel cells; electrochemical reactions
(This special issue belongs to the Section Electrochemistry)
Application of Metal-Organic Framework (MOF) for Environmental Remediation
edited by Osvaldo Antonio Serra and Ayla Serra
submission deadline 5 Sep 2026 | Viewed by 245 | Submission Open
Keywords: metal–organic frameworks (MOFs); environmental remediation; water treatment; pollutant adsorption; heterogeneous catalysis; photocatalysis; MOF-derived materials; advanced porous materials
(This special issue belongs to the Section Applied Chemistry)
Ligand Binding to DNA and RNA, 2nd Edition
edited by Dijana Pavlović Saftić and
submission deadline 10 Sep 2026 | 1 articles | Viewed by 956 | Submission Open
Keywords: DNA/RNA targeting; small-molecule ligands; supramolecular binding; theranostic agents; photodynamic therapy (PDT)
(This special issue belongs to the Section Bioorganic Chemistry)
Recent Advances in Graphene-Based Materials submission deadline 10 Sep 2026 | Viewed by 508 | Submission Open
Keywords: graphene; graphene oxide; reduced graphene oxide; 2D; energy storage; catalysis; optoelectronics
(This special issue belongs to the Section Materials Chemistry)
Application of Spectroscopy and Chemometrics in Food Analysis
edited by
submission deadline 14 Sep 2026 | 1 articles | Viewed by 737 | Submission Open
Keywords: chemometrics; vibrational spectroscopy; FTIR; NIR; Raman; hyperspectral imaging; food authenticity; food integrity; non-destructive analysis; machine learning; multivariate analysis; rapid screening; portable sensors; process monitoring; sustainable food systems
(This special issue belongs to the Section Analytical Chemistry)
Green and Environmentally Friendly Visible-Light- and Transition Metal-Catalyzed Synthesis
edited by
submission deadline 15 Sep 2026 | 2 articles | Viewed by 6622 | Submission Open
Keywords: green synthesis; sustainable chemistry; transition metal catalysis; light induced transformations; photoredox catalysis; organic synthesis
(This special issue belongs to the Section Organic Chemistry)
Protein–Ligand Interactions, 2nd Edition submission deadline 15 Sep 2026 | 2 articles | Viewed by 1550 | Submission Open
Keywords: protein–ligand interactions; binding affinity; protein structure and function
(This special issue belongs to the Section Chemical Biology)
Bioactive Compounds in Food Nutrition: From Source to Health Benefits submission deadline 15 Sep 2026 | 1 articles | Viewed by 1322 | Submission Open
Keywords: bioactive compounds; functional foods; extraction and purification; structural elucidation; biological activity; health benefits; nutraceuticals; antioxidants
(This special issue belongs to the Section Food Chemistry)
Quinoline System in Design and Synthesis of New Bioactive Agents
edited by
submission deadline 15 Sep 2026 | 1 articles | Viewed by 942 | Submission Open
Keywords: quinoline derivatives; synthesis; analysis; biological activity; ADMET; SAR; hybrid systems; pharmacophore substituents; medicinal chemistry
(This special issue belongs to the Section Medicinal Chemistry)
Chemical Analysis and Bioactivity of Plant Natural Products
edited by
submission deadline 15 Sep 2026 | Viewed by 343 | Submission Open
Keywords: plant metabolite; plant extract; extraction; isolation; biological activities; chemical analysis
(This special issue belongs to the Section Natural Products Chemistry)
Molecular Insights into Polyoxometalate-Based Functional Materials
edited by Florence Volatron
submission deadline 15 Sep 2026 | Viewed by 292 | Submission Open
Keywords: POM-based materials; nanoobjects; thin films; multidimensional networks; composites; soft matter; nanoscale microscopies; X-ray spectroscopies; X-ray diffraction
(This special issue belongs to the Section Inorganic Chemistry)
Microbial Biotransformation of Organic Residues for Sustainable Production of High-Value Bioactive Compounds submission deadline 15 Sep 2026 | Viewed by 245 | Submission Open
Keywords: organic residues; microbial biotransformation; circular bioeconomy; high-value bioproducts; bioactivity screening
(This special issue belongs to the Section Green Chemistry)
Recent Advances in the Materials for Sodium-Ion Batteries
edited by
submission deadline 15 Sep 2026 | Viewed by 207 | Submission Open
Keywords: sodium-ion battery; cathode Materials; anode materials; electrolyte; multi-scale computational studies; electrode binder; battery recycling
(This special issue belongs to the Section Materials Chemistry)
Innovative Directions in the Development of Functional Food
edited by , and Danuta Kołożyn-Krajewska
submission deadline 15 Sep 2026 | Viewed by 193 | Submission Open
Keywords: food fermentation; functional food; nutritional value of food; probiotics; prebiotics; texture of food; antioxidant activity; chemical composition
(This special issue belongs to the Section Food Chemistry)
Computational Approaches: Drug Discovery and Design in Medicinal Chemistry and Bioinformatics, 4th Edition submission deadline 16 Sep 2026 | 4 articles | Viewed by 4063 | Submission Open
Keywords: QSAR and 3D-QSAR; unbiased and biased molecular dynamics; pharmacophore modeling; reverse modeling; ab initio calculations; protein–protein interactions; free energy profiling; modeling of nucleic acids (mRNA, rRNA, tRNA); molecular docking; virtual screening; multitarget approaches; ADMET prediction; similarity analysis; computational approaches applied to natural compounds and nutraceuticals
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Design and Application of Nanomaterials for Photocatalytic Degradation
edited by Aleksandra R. Zarubica and Radomir B. Ljupković
submission deadline 16 Sep 2026 | Viewed by 274 | Submission Open
Keywords: nanomaterials design; nanomaterial photocatalysts; nanomaterials synthesis; photocatalysis; environmental pollution; photodegradation; material characterization
(This special issue belongs to the Section Nanochemistry)
Bioactive Compounds and Small Molecules with Neuroprotective and Anti-Inflammatory Functions
edited by
submission deadline 30 Sep 2026 | 10 articles | Viewed by 37306 | Submission Open
Keywords: bioactive foods; small molecules; neuroprotection; anti-inflammatory; inflammasome; neurodegeneration
(This special issue belongs to the Section Natural Products Chemistry)
Recent Advances in Chromatography for Pharmaceutical Analysis
edited by
submission deadline 30 Sep 2026 | 10 articles | Viewed by 24489 | Submission Open
Keywords: drug analysis of chemical and biological drugs; bioanalysis; natural products analysis; green chemistry; experimental design; artificial intelligence; metabolomics; stationary phase
(This special issue belongs to the Section Analytical Chemistry)
Recent Advances in the Toxicology and Safety of Medicinal Plants and Natural Products submission deadline 30 Sep 2026 | 6 articles | Viewed by 13362 | Submission Open
Keywords: toxicity of natural compounds and plant extracts; safety of natural products; drug development; in silico modeling; in vitro study; in vivo study
(This special issue belongs to the Section Natural Products Chemistry)
Featured Reviews in Organometallic Chemistry—Recent Trends and Developments
edited by
submission deadline 30 Sep 2026 | 3 articles | Viewed by 11976 | Submission Open
Keywords: organometallic chemistry; complexes; metals; metal–carbon bonding; main group metals; transition metals; lanthanides; catalysis; ligands; metal chemistry; phosphines; N-heterocyclic carbenes; bipyridines; homogeneous catalysis; cross coupling; bond activation; ancillary ligands; photoredox catalysis; asymmetric catalysis; crystallography; spectroscopy
(This special issue belongs to the Section Organometallic Chemistry)
Hypervalent Iodine Chemistry: Promise and Prospects
edited by
submission deadline 30 Sep 2026 | 2 articles | Viewed by 10989 | Submission Open
Keywords: hypervalent compound; iodine; new reagent and catalyst; new synthetic transformation; synthetic application; the hypervalent iodine-bearing hybrid molecule
(This special issue belongs to the Section Organic Chemistry)
Feature Papers in Organic Chemistry—Third Edition submission deadline 30 Sep 2026 | 9 articles | Viewed by 10813 | Submission Open
Keywords: organic synthesis; organic chemistry research; synthesis methods; theoretical study; reaction mechanisms; catalysis
(This special issue belongs to the Section Organic Chemistry)
Molecular Docking in Drug Discovery, 2nd Edition
edited by
submission deadline 30 Sep 2026 | 6 articles | Viewed by 10357 | Submission Open
Keywords: computer aided drug design; drug discovery; molecular docking; structure–activity relationships; drug design
(This special issue belongs to the Section Medicinal Chemistry)
Metal-Based Drugs: Past, Present and Future, 3rd Edition submission deadline 30 Sep 2026 | 7 articles | Viewed by 10336 | Submission Open
Keywords: metal-based drugs; synthesis; characterization; docking; biological activity; diagnosis; therapeutic tool
(This special issue belongs to the Section Chemical Biology)
Novel Heterocyclic Compounds: Synthesis and Applications
edited by and José Luis Viveros-Ceballos
submission deadline 30 Sep 2026 | 6 articles | Viewed by 8744 | Submission Open
Keywords: heterocyclic compounds; synthetic methodologies; medicinal chemistry; bioactive molecules; pharmaceutical applications; catalysis in heterocycle synthesis; green chemistry approaches; structure–activity relationships (SARs); organic synthesis; agrochemical applications
(This special issue belongs to the Section Organic Chemistry)
Bioactive Compounds from Plants: Identification, Characterization, and Pharmacological Activity submission deadline 30 Sep 2026 | 9 articles | Viewed by 6979 | Submission Open
Keywords: antioxidants; medicinal plants; bioactive compounds; phytochemicals; peptides; chemical characterization; bioavailability; biological activities; functional properties; mechanisms of action; therapeutic potential; pharmacological properties
(This special issue belongs to the Section Natural Products Chemistry)
Bioactive Natural Products and Derivatives
edited by Xiaoxiao Huang and
submission deadline 30 Sep 2026 | 6 articles | Viewed by 6630 | Submission Open
Keywords: new natural product discovery; natural product derivatives; bioactivities and mechanisms of action of natural products; application; new methods and technologies
(This special issue belongs to the Section Bioorganic Chemistry)
Discovery and Development of Anti-Cancer Drugs: From Signalling Pathways to Molecular Mechanisms submission deadline 30 Sep 2026 | 3 articles | Viewed by 6113 | Submission Open
Keywords: discovery of small-molecule inhibitors targeting oncogenic kinases and transcription factors; mechanisms of action and resistance for current and emerging cancer drugs; targeting DNA damage response pathways (e.g., PARP, ATR, ATM inhibitors); molecular crosstalk between tumor cells and the immune system; role of epigenetics in cancer drug resistance and sensitivity; tumor metabolism as a therapeutic target in Immunochemistry; structure-based drug design and virtual screening; antibody–drug conjugates and novel biologic therapeutics; RNA-targeting therapeutics and mRNA-based cancer vaccines; advances in PROTACs and targeted protein degradation; application of AI and computational chemical biology in drug discovery
(This special issue belongs to the Section Chemical Biology)
The Application of LC-MS in Pharmaceutical Analysis—2nd Edition
edited by Wing Lam and
submission deadline 30 Sep 2026 | 6 articles | Viewed by 5688 | Submission Open
Keywords: LC–MS; chemical characterization; metabolite identification; metabolomics; pharmacokinetics
(This special issue belongs to the Section Analytical Chemistry)
Research on Changes in Nutritional Components and Structure During Food Processing
edited by , Wei Qin and Natthawuddhi Donlao
submission deadline 30 Sep 2026 | 2 articles | Viewed by 5364 | Submission Open
Keywords: food structure; nutritional components; bioactive compounds; food processing; phytochemicals; health benefits
(This special issue belongs to the Section Food Chemistry)
Lignocellulosic Materials, 2nd Edition
edited by and
submission deadline 30 Sep 2026 | 2 articles | Viewed by 5313 | Submission Open
Keywords: biomass valorization; biopolymers; lignocellulose; green chemistry; bio-based materials; environmental remediation
(This special issue belongs to the Section Materials Chemistry)
Recent Experimental and Theoretical Advances of Corrosion Protection
edited by , Miguel Castro, Guillermo E. Negrón-Silva and
submission deadline 30 Sep 2026 | 2 articles | Viewed by 5086 | Submission Open
Keywords: electrochemical techniques; synthesis of corrosion inhibitors; molecular dynamics; quantum theoretical modelling; coatings
(This special issue belongs to the Section Electrochemistry)
Natural Compounds in Modern Therapies, 3rd Edition submission deadline 30 Sep 2026 | 6 articles | Viewed by 4769 | Submission Open
Keywords: natural compounds; plant extract; anti-cancer activity; antimicrobial activity; antifungal activity; antiviral activity; anti-inflammatory activity; synergistic effect; chronic disorders; age-related disorders; metabolic syndrome; nutraceuticals
(This special issue belongs to the Section Natural Products Chemistry)
Advanced Removal of Emerging Pollutants and Its Mechanism
edited by , and Dorin Bombos
submission deadline 30 Sep 2026 | 3 articles | Viewed by 4720 | Submission Open
Keywords: emerging contaminants; adsorption interactions; microbial biodegradation; pollutant removal efficiency; innovative technologies
(This special issue belongs to the Section Green Chemistry)
Chemical Biology in Europe submission deadline 30 Sep 2026 | 5 articles | Viewed by 4694 | Submission Open
Keywords: chemical probes; bioorthogonal chemistry; chemical proteomics; target identification; probe-based visualization; PTM detection
(This special issue belongs to the Section Chemical Biology)
Nanomaterials and Nanocomposites: Synthesis, Characterization and Applications in Environmental and Biomedical Sciences submission deadline 30 Sep 2026 | 3 articles | Viewed by 4341 | Submission Open
Keywords: nanomaterials; diagnostics; therapy; anticancer; antimicrobial; adsorption; photocatalysis; sensor
(This special issue belongs to the Section Nanochemistry)
Recent Advances in Food Analysis, 2nd Edition submission deadline 30 Sep 2026 | 5 articles | Viewed by 4144 | Submission Open
Keywords: food; contaminants; bioactive compounds; chromatography; detection; analytical techniques; analysis
(This special issue belongs to the Section Analytical Chemistry)
Biobased Functional Materials for Sustainable Food Packaging and Preservation submission deadline 30 Sep 2026 | 4 articles | Viewed by 4090 | Submission Open
Keywords: edible films; active packaging; intelligent packaging; edible coatings; sustainable packaging; food quality
(This special issue belongs to the Section Food Chemistry)
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