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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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Functional Materials: Synthesis Strategies and Environmental Applications
edited by and
submission deadline 28 Feb 2026 | Viewed by 23 | Submission Open
Keywords: environmental remediation; pollutant removal; materials chemistry; catalytic materials; environmental chemistry
(This special issue belongs to the Section Materials Chemistry)
Green Conversion of Polymeric and Textile Waste into Functional Materials submission deadline 28 Feb 2026 | Viewed by 18 | Submission Open
Keywords: green chemistry; polymer conversion; textile waste valorization; plastic management; resource recovery; recycling; upcycling; functional materials
(This special issue belongs to the Section Green Chemistry)
Chiral Nanomaterials: Synthesis, Properties, and Applications
edited by
submission deadline 28 Feb 2026 | Viewed by 18 | Submission Open
Keywords: chiral nanomaterial; property; synthesis; application
(This special issue belongs to the Section Applied Chemistry)
Advanced Electrocatalysts: Design, Characterization, and Applications in Sustainable Conversion Reactions
edited by Bruno Manzolli Rodrigues
submission deadline 28 Feb 2026 | Viewed by 9 | Submission Open
Keywords: electrocatalysis; nanostructured catalysts; atomically dispersed catalysis; sustainable catalysis; oxygen reduction reaction (ORR); oxygen evolution reaction (OER); CO2 reduction reaction (CO2RR); biomass conversion
(This special issue belongs to the Section Electrochemistry)
Recent Advances in Functionalized Nanomaterials: Design, Synthesis, Characterization, and Application—2nd Edition
edited by
submission deadline 28 Feb 2026 | Viewed by 8 | Submission Open
Keywords: functionalized nanomaterials; functionalized strategies; compositions; nanostructures; energy storage; sensing; environmental remediation; catalytic
(This special issue belongs to the Section Nanochemistry)
Synthesis of Natural Compounds and Derivatives
edited by Fanie van Heerden and Mamoalosi Selepe
submission deadline 28 Feb 2026 | Viewed by 4 | Submission Open
Keywords: natural compounds; synthesis; total synthesis; semi-synthesis; derivatives
(This special issue belongs to the Section Natural Products Chemistry)
Application of Natural Products in the Treatment of Neurodegenerative Diseases
edited by
submission deadline 28 Feb 2026 | Viewed by 3 | Submission Open
Keywords: natural products; neurovascular and neurodegenerative diseases; neuroprotection; bioactive compounds; drug discovery; molecular mechanisms; multi-target therapy; neuroinflammation
(This special issue belongs to the Section Natural Products Chemistry)
Gemini Surfactant Application Studies
edited by Iwona Kowalczyk and
submission deadline 1 Mar 2026 | Viewed by 49 | Submission Open
Keywords: gemini surfactants; biological activity; physicochemical analysis; smart material
(This special issue belongs to the Section Applied Chemistry)
Magnetic Resonance in Food Analysis, 2nd Edition submission deadline 15 Mar 2026 | Viewed by 205 | Submission Open
Keywords: NMR spectroscopy; relaxometry; pulse sequences; molecular interactions; diffusion; imaging; foods
(This special issue belongs to the Section Food Chemistry)
Exploring the Antioxidant Activity of Natural Extracts: New Findings and Potential Food- and Non-Food-Related Applications
edited by
submission deadline 26 Mar 2026 | Viewed by 450 | Submission Open
Keywords: natural antioxidants; superfruits; specialty crops; polyphenols; flavonoids; tannins; anthocyanins; carotenoids; vitamins; phytochemistry; extraction techniques; processing; functional food; sustainable technology; technical applications; antifouling; obesity; inflammation; diabetes; cosmetics; pharmaceuticals; environmental protection; material science; radical scavenging; nutraceuticals
(This special issue belongs to the Section Natural Products Chemistry)
Stress-Related Biomarkers: Analytical Methods and Their Applications
edited by
submission deadline 30 Mar 2026 | Viewed by 264 | Submission Open
Keywords: biomarkers; stress hormones; advanced glycation end-products; mental and physical stress; oxidative stress; glycation stress; Immunological stress; fatigue; aging; lifestyle-related diseases
(This special issue belongs to the Section Analytical Chemistry)
Hypervalent Iodine Chemistry: Promise and Prospects
edited by
submission deadline 31 Mar 2026 | 2 articles | Viewed by 4248 | 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)
Advances in Functional Polymers and Their Applications
edited by and
submission deadline 31 Mar 2026 | 3 articles | Viewed by 2555 | Submission Open
Keywords: functional polymer; polymerization; post-polymerization modification; multi-component; hydrogel; 3D printing; biomaterials; polymer composite; surface and interface
(This special issue belongs to the Section Macromolecular Chemistry)
In Silico Methods Applied in Drug and Pesticide Discovery, 3rd Edition submission deadline 31 Mar 2026 | 1 articles | Viewed by 459 | Submission Open
Keywords: molecular modeling of small and complex molecules/macromolecules; homology modeling; molecular docking; virtual screening; ADME-Tox; ligand- and structure-based pharmacophore modeling; QSAR/QSPR models; drug/pesticide design; molecular dynamics
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Polymeric Nano-Based Drug Delivery Systems submission deadline 31 Mar 2026 | Viewed by 224 | Submission Open
Keywords: nanotechnology; polymers; biopolymers; drug delivery; encapsulation; essential oils; blood-brain barrier
(This special issue belongs to the Section Macromolecular Chemistry)
Advances in Conversion of Biomass
edited by and Anjani Ravi Kiran Gollakota
submission deadline 31 Mar 2026 | Viewed by 136 | Submission Open
Keywords: biomass conversion; bio-based material; catalyst design; heterogeneous catalysis; enzyme catalysis
(This special issue belongs to the Section Green Chemistry)
Biologically Active Compounds in Functional Foods submission deadline 31 Mar 2026 | Viewed by 56 | Submission Open
Keywords: functional foods; bioactive compounds; vitamins; antioxidants; phenolics; functional ingredients; functional properties; fortified foods; enriched foods; food chemistry; bioavailability; food matrix
(This special issue belongs to the Section Food Chemistry)
Recent Progress in Environmental Analytical Chemistry submission deadline 31 Mar 2026 | Viewed by 52 | Submission Open
Keywords: environmental monitoring; water; air and soil pollution; pollution analysis; environmental toxicity; analytical chemistry; chemometrics; method development for analysis of environmental compartments; method validation
(This special issue belongs to the Section Analytical Chemistry)
Photo- and Sonodynamic Antimicrobial Compounds submission deadline 31 Mar 2026 | Viewed by 45 | Submission Open
Keywords: photosensitizers; sonosensitizers; photodynamic treatment; sonodynamic treatment; antimicrobials
(This special issue belongs to the Section Medicinal Chemistry)
Discovery and Development of Anti-Cancer Drugs: From Signalling Pathways to Molecular Mechanisms
edited by and Lívia Bitencourt Pascoal
submission deadline 31 Mar 2026 | Viewed by 26 | 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)
Synthesis and Application of Disulfide Compounds
edited by Goreti Ribeiro Morais and
submission deadline 31 Mar 2026 | Viewed by 25 | Submission Open
Keywords: organic chemistry; poly(disulfide)s; dithioglycosides; cyclization of peptides; drug discovery; chemical biology; prodrug development; dynamic and recyclable material
(This special issue belongs to the Section Medicinal Chemistry)
Metal Complexes in Catalysis and Biological Applications
edited by and Edgar Nagles
submission deadline 31 Mar 2026 | Viewed by 23 | Submission Open
Keywords: metal complexes; synthesis and characterization; catalysis; biological activity; DFT; crystal structure
(This special issue belongs to the Section Inorganic Chemistry)
Current Emerging Trends of Extraction and Encapsulation in Food, 2nd Edition submission deadline 31 Mar 2026 | Viewed by 21 | Submission Open
Keywords: extraction; encapsulation; drying; emulsion; targeted delivery; stability; bioactive compounds; nonthermal technologies; bioavailability; functional foods
(This special issue belongs to the Section Food Chemistry)
Advances in Functional Materials for Heterogeneous Electrocatalysis
edited by
submission deadline 31 Mar 2026 | Viewed by 18 | Submission Open
Keywords: interfacial interactions; environmental sustainability; energy conversion; water remediation; in situ characterization; first-principles calculations; machine learning
Bioactive Compounds in Plants: Extraction and Application submission deadline 31 Mar 2026 | Viewed by 16 | Submission Open
Keywords: bioactive compounds; extraction; biological activities
(This special issue belongs to the Section Natural Products Chemistry)
New Perspective on Analytical Methods in Food Products submission deadline 31 Mar 2026 | Viewed by 15 | Submission Open
Keywords: analytical methods; food and plant analysis; chemical characterization of by-products; valorization and recovery of by-products; extraction methods; liquid chromatography– mass spectrometry; gas chromatography– mass spectrometry; spectrophotometer
(This special issue belongs to the Section Food Chemistry)
Feature Papers in Organic Chemistry—Third Edition
edited by and
submission deadline 31 Mar 2026 | Viewed by 9 | Submission Open
Keywords: organic synthesis; organic chemistry research; synthesis methods; theoretical study; reaction mechanisms; catalysis
(This special issue belongs to the Section Organic Chemistry)
Study of Quadruplex Nucleic Acids and Beyond
edited by
submission deadline 1 Apr 2026 | Viewed by 41 | Submission Open
Keywords: G-quadruplexes (G4s); i-Motifs; Z-DNA/RNA; triplex DNA; cruciforms; hairpins; chemical probes; nanomaterials; biosensors
Chemical Compounds or Agents Against Parasites, Bacteria, and Neglected Tropical Diseases
edited by
submission deadline 1 Apr 2026 | Viewed by 13 | Submission Open
Keywords: chemical compounds; resistance; NTDs; targets
(This special issue belongs to the Section Medicinal Chemistry)
Liquid Crystals, 3rd Edition submission deadline 1 Apr 2026 | Viewed by 12 | Submission Open
Keywords: liquid crystals; ionic liquid crystals; metallomesogens; nanoparticles; liquid crystal composites; polymer liquid crystals; lyotropic liquid crystals
(This special issue belongs to the Section Materials Chemistry)
Synthesis, Characterization and Application of Polymer-Based Materials, 2nd Edition submission deadline 30 Apr 2026 | 6 articles | Viewed by 4750 | Submission Open
Keywords: synthetic; natural; and sustainable polymer-based materials; polymer composites; polymer hybrids; multifunctional and smart polymer materials; structure– properties relationship in polymer systems; advanced characterization of polymer multiphase systems; polymer synthesis and reactive processing; polymer-based supports for bioactive molecules; applications of polymer-based materials; hydrophilic polymer systems
(This special issue belongs to the Section Materials Chemistry)
Metal–Halide Perovskites for Solar Cell and LED Materials
edited by
submission deadline 30 Apr 2026 | Viewed by 297 | Submission Open
Keywords: hybrid halide perovskite solar cell materials; perovskite light-emitting diode materials; optical properties; luminescence; material property characterization; thin solid films; crystal formation
(This special issue belongs to the Section Materials Chemistry)
Exploring Bioactive Compounds in Foods and Nutrients for Human Health
edited by Denise Mafra and
submission deadline 30 Apr 2026 | Viewed by 94 | Submission Open
Keywords: chronic non-communicable diseases; bioactive compounds; nutrients; human health
Heterocyclic Compounds: Synthesis and Medicinal Chemistry Applications, 2nd Edition submission deadline 30 Apr 2026 | Viewed by 86 | 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)
Advances and Opportunities of Natural Products in Drug Discovery submission deadline 30 Apr 2026 | Viewed by 60 | Submission Open
Keywords: natural products; drug discovery; pharmacological activity; biological activity; new compounds
(This special issue belongs to the Section Natural Products Chemistry)
Chemical Biology in Asia—Second Edition
edited by and
submission deadline 30 Apr 2026 | Viewed by 45 | Submission Open
Keywords: chemical biology; drug discovery; bioorganic chemistry; enzymology; synthetic biology; analytical tools
(This special issue belongs to the Section Chemical Biology)
Solid Waste and Fly Ash Chemical Treatment Methods—2nd Edition
edited by , and Huimin Liu
submission deadline 30 Apr 2026 | Viewed by 17 | Submission Open
Keywords: solid waste; fly ash; chemical treatment; waste management; thermal treatment; resource recovery; waste-to-energy; environmental chemistry
(This special issue belongs to the Section Green Chemistry)
Exploring Phytochemicals: Their Structure, Biological Activities and Health-Promoting Effects
edited by and Samireh Jorfi
submission deadline 30 Apr 2026 | Viewed by 13 | Submission Open
Keywords: phytochemicals; medicinal/culinary plants; bioactive properties; health benefits
(This special issue belongs to the Section Natural Products Chemistry)
Bioactive Molecules from Natural Sources and Their Functions
edited by Sonia Del Prete and
submission deadline 1 May 2026 | Viewed by 87 | Submission Open
Keywords: secondary metabolites; primary metabolism; living organisms; function; structure; enzymes; biosynthetic pathways
(This special issue belongs to the Section Medicinal Chemistry)
The State-of-the-Art in Improving the Antitumor Efficacy of Platinum Drugs submission deadline 20 May 2026 | 1 articles | Viewed by 2786 | Submission Open
Keywords: bioinorganic chemistry; metal-based drugs; pt coordination compounds; pharmacodynamics; pharmacokinetics
(This special issue belongs to the Section Medicinal Chemistry)
Development and Design of Novel Electrode Materials
edited by
submission deadline 31 May 2026 | 3 articles | Viewed by 1764 | Submission Open
Keywords: electrode materials; supercapacitors; batteries; electrocatalysis; photovoltaic materials
(This special issue belongs to the Section Electrochemistry)
Lignin Valorization in Biorefineries
edited by Carlos Eduardo De Araújo Padilha, Everaldo Silvino Dos Santos and Domingos Fabiano de Santana Souza
submission deadline 31 May 2026 | Viewed by 65 | Submission Open
Keywords: pretreatment; bioactive compounds; antioxidant properties; kraft lignin; extraction; thermochemical processes
(This special issue belongs to the Section Green Chemistry)
Antimicrobial Compounds and Biocontrol Strategies in Food Microbiology and Safety submission deadline 31 May 2026 | Viewed by 62 | Submission Open
Keywords: antimicrobial compound; natural; synthetic; microbial; application; biocontrol; food; crop; agricultural; pathogenic; spoilage; bacteria; mold; in vitro; in vivo; mechanisms of action; membrane disruption; enzyme inhibition; interference with microbial communication; resistance management
(This special issue belongs to the Section Food Chemistry)
Treatment and Analysis of PFAS in Environmental Pollution
edited by
submission deadline 31 May 2026 | Viewed by 7 | Submission Open
Keywords: PFAS; total fluorine; treatment; environmental samples
(This special issue belongs to the Section Green Chemistry)
Green Catalysis Technology for Sustainable Energy Conversion submission deadline 30 Jun 2026 | 7 articles | Viewed by 7134 | Submission Open
Keywords: catalysis; sustainable energy; energy crisis; environmental pollution
(This special issue belongs to the Section Green Chemistry)
30th Anniversary of Molecules: Recent Advances in Photochemistry submission deadline 30 Jun 2026 | 2 articles | Viewed by 1317 | Submission Open
Keywords: organic photochemistry synthetic photochemistry; photocatalysis; photofunctionalization; photobiology; medicinal photochemistry; computational photochemistry; photoelectrochemistry; solar energy conversion; condensed and gas phase photochemistry; polymer photochemistry; supramolecular photochemistry; photochromism; luminescent sensors; photochemistry for environmental remediation
(This special issue belongs to the Section Photochemistry)
Advancement in Phytochemistry and Pharmacology of Medicinal Plants
edited by Marcelo José Dias and Claúdia Quintino Da Rocha
submission deadline 30 Jun 2026 | Viewed by 102 | Submission Open
Keywords: green chemistry and sustainable chemical processes; advanced thin layer chromatography; ethical application of artificial intelligence in natural products; natural product platforms; pharmaceutical biotechnology and chemical innovation; bioprospecting; phytomedicine; in vivo and in vitro ethnopharmacological studies; promising chemical– biological studies by research groups; phytomedicine and chemical standardization of herbal formulations
(This special issue belongs to the Section Natural Products Chemistry)
Computational Analysis of Protein and Nucleic Acid Structures, Interactions, and Functions
edited by and
submission deadline 30 Jun 2026 | Viewed by 68 | Submission Open
Keywords: machine learning; molecular dynamics simulations; multi-scale modeling; protein– nucleic acid interactions; protein and/or nucleic acid structure prediction; binding thermodynamics/kinetic; AI-assisted drug design; functional prediction; network-based functional analysis; multi-omics integration
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Biobased Chemicals: Environmentally Friendly Solutions for Sustainable Development, 3rd Edition
edited by
submission deadline 30 Jun 2026 | Viewed by 56 | Submission Open
Keywords: bioproducts; biochar; hydrochar; by-products; biofuels; biomass; hydrothermal carbonization; torrefaction
Perovskite Materials for Application in Sustainable Energy Technologies
edited by Ndzondelelo Bingwa
submission deadline 30 Jun 2026 | Viewed by 44 | Submission Open
Keywords: perovskites; renewable energy; photocatalysis; biofuels; hydrogen; metal oxides; heterogeneous catalysis
(This special issue belongs to the Section Materials Chemistry)
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