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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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30th Anniversary of Molecules—Recent Developments in Biobased Polymers submission deadline 31 Dec 2026 | 5 articles | Viewed by 7980 | Submission Open
Keywords: biobased polymers; sustainability; biodegradability; polymer recycling; polymer composites; polymer processing; green chemistry
(This special issue belongs to the Section Materials Chemistry)
Bee Product Chemistry: Identification and Characterization of Natural Compounds, 2nd Edition
edited by
submission deadline 31 Dec 2026 | 5 articles | Viewed by 7130 | Submission Open
Keywords: honey; wax; bee pollen; venom; propolis; royal jelly; bee larvae
(This special issue belongs to the Section Natural Products Chemistry)
30th Anniversary of Molecules: Recent Advances in Organometallic Chemistry
edited by
submission deadline 31 Dec 2026 | 5 articles | Viewed by 6874 | Submission Open
Keywords: metal–organic framework; organometallic compounds; coordination assembly; metal–organic cluster; metal–organic cage; supramolecular chemistry
(This special issue belongs to the Section Organometallic Chemistry)
Recent Advances in Transition Metal Catalysis, 2nd Edition
edited by Dingyi Wang
submission deadline 31 Dec 2026 | 4 articles | Viewed by 6583 | Submission Open
Keywords: transition metal catalysis; photocatalysis; electrosynthesis; organic synthesis; asymmetric synthesis; C-H functionalization; C-C functionalization; C-X functionalization
(This special issue belongs to the Section Organic Chemistry)
30th Anniversary of the MOF Concept
edited by and
submission deadline 31 Dec 2026 | 4 articles | Viewed by 6441 | Submission Open
Keywords: metal–organic frameworks; gas storage and separation; catalysis; drug delivery; sensing and detection; energy applications
(This special issue belongs to the Section Organometallic Chemistry)
Advanced Materials for Photocatalytic and Photoelectrocatalytic Water-Splitting submission deadline 31 Dec 2026 | 2 articles | Viewed by 5653 | Submission Open
Keywords: photocatalysis; photoelectrocatalysis; water splitting; bandgap engineering; semiconductor materials; visible-light-driven catalysis
(This special issue belongs to the Section Materials Chemistry)
Quantum-Chemical Studies for Superspecies—in Celebration of Professor Jean-François Gal’s 80th Birthday
edited by
submission deadline 31 Dec 2026 | 6 articles | Viewed by 5381 | Submission Open
Keywords: structure of superspecies; neutral, ionic, and/or radical forms; isomerism; electron delocalization; energetic parameters of electron transfer; thermochemistry of proton transfer; quantum-chemical studies
30th Anniversary of Molecules—Recent Advances in Physical Chemistry
edited by
submission deadline 31 Dec 2026 | 8 articles | Viewed by 4654 | Submission Open
Keywords: physical chemistry; dynamics and kinetics; thermodynamics; quantum chemistry; spectroscopy
(This special issue belongs to the Section Physical Chemistry)
Optimization of Process Methodology for Specialty and Fine Chemicals
edited by and Łukasz Lamch
submission deadline 31 Dec 2026 | 5 articles | Viewed by 4635 | Submission Open
Keywords: process optimization; specialty and fine chemicals; process intensification; numerical and statistical optimization; design of experiments; green and sustainable chemistry; chemical engineering; data driven and model-based process design
(This special issue belongs to the Section Green Chemistry)
Interactions of Plant-Derived Foods and Medicines with the Gut Microbiome submission deadline 31 Dec 2026 | 6 articles | Viewed by 4497 | Submission Open
Keywords: anti-inflammatory effect; antimicrobial activity; fermented foods; gut metabolism; gut microbiota; herbal product; immunomodulatory effect; microbiome therapy; phytochemical; plant-based diet; postbiotics; prebiotic effect; probiotic microorganisms
Applications of Agro-Industrial By-Products in Health and Beauty: Innovative Strategies and Applications submission deadline 31 Dec 2026 | 6 articles | Viewed by 4415 | Submission Open
Keywords: valorization of by-products; bioactive compounds; extraction technologies; delivery systems (micro/nano-carriers); health and skin applications
(This special issue belongs to the Section Food Chemistry)
Novel Nanomaterials for Photocatalysis submission deadline 31 Dec 2026 | 4 articles | Viewed by 4406 | Submission Open
Keywords: photocatalyst synthesis; band gap engineering; enhanced light absorption; clean energy; advanced oxidation/reduction processes; self-cleaning coatings; photocatalysis reaction mechanisms; artificial photosynthesis
(This special issue belongs to the Section Photochemistry)
Bioactive Peptides: Isolation, Identification and Application submission deadline 31 Dec 2026 | 1 articles | Viewed by 4344 | Submission Open
Keywords: peptides; proteins; hydrolysis; bioavailability; application; biological activity; food technology
(This special issue belongs to the Section Food Chemistry)
Advances in Trace Element Analysis: Techniques and Applications
edited by
submission deadline 31 Dec 2026 | 4 articles | Viewed by 3986 | Submission Open
Keywords: trace element analysis; speciation techniques; environmental monitoring; atomic spectrometry; mass spectrometry; chromatography; bioavailability; environmental impact
(This special issue belongs to the Section Analytical Chemistry)
Analytical Methods for Food and Environmental Pollutants: Current and Future Perspectives, 2nd Edition submission deadline 31 Dec 2026 | 5 articles | Viewed by 3923 | Submission Open
Keywords: emerging pollutants; food samples; environmental samples; sampling; sample preparation; analytical instrumentation; chemometric tools
(This special issue belongs to the Section Analytical Chemistry)
Bioactive Compounds Encapsulation System: Design and Applications
edited by and
submission deadline 31 Dec 2026 | 2 articles | Viewed by 3879 | Submission Open
Keywords: bioactive compounds; encapsulation; nanocarriers; bioavailability; targeted delivery; drug delivery; functional foods
(This special issue belongs to the Section Food Chemistry)
30th Anniversary of Molecules—Recent Advances in Medicinal Chemistry submission deadline 31 Dec 2026 | 3 articles | Viewed by 3590 | Submission Open
Keywords: medicinal chemistry; drug discovery and development; lead compounds; proximity-inducing drugs; photopharmacology; covalent modifiers; antibody-drug conjugates; epigenetic modulators
(This special issue belongs to the Section Medicinal Chemistry)
Secondary Metabolites from Natural Products: Extraction, Isolation and Biological Activities, 2nd Edition submission deadline 31 Dec 2026 | 4 articles | Viewed by 3237 | Submission Open
Keywords: natural products; secondary metabolites; analytical techniques application; extraction and separation; chemical composition; phytochemistry; isolation and structure elucidation; secondary metabolites; antimicrobial activity; antioxidant activity; anticancer activity
(This special issue belongs to the Section Natural Products Chemistry)
Plant Bioactive Compounds in Pharmaceuticals, 2nd Edition submission deadline 31 Dec 2026 | 2 articles | Viewed by 3158 | Submission Open
Keywords: bioactive compounds; medicinal plant; phytocomplexes; cell cultures
(This special issue belongs to the Section Natural Products Chemistry)
Heterocyclic Molecules in Drug Discovery submission deadline 31 Dec 2026 | 2 articles | Viewed by 3125 | Submission Open
Keywords: organic synthesis of bioactive heterocyclic compounds; structural analysis of heterocycles; biological activity of heterocycles; ADME properties of heterocycles; in silico analysis and experimental analysis of heterocyclic molecules
(This special issue belongs to the Section Medicinal Chemistry)
Featured Reviews in Chemical Biology 2026
edited by and
submission deadline 31 Dec 2026 | 2 articles | Viewed by 2900 | Submission Open
Keywords: chemical biology; chemical probes; phenotypic screening; target identification/validation; bioactive metabolites; signaling molecules; drug discovery; enzymology; synthetic biology
(This special issue belongs to the Section Chemical Biology)
Photo- and Sonodynamic Antimicrobial and Anticancer Compounds submission deadline 31 Dec 2026 | 2 articles | Viewed by 2720 | Submission Open
Keywords: photosensitizers; sonosensitizers; photodynamic treatment; sonodynamic treatment; antimicrobials; anticancer treatment
(This special issue belongs to the Section Medicinal Chemistry)
Organometallic Compounds: Design, Synthesis and Application: 2nd Edition
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 2535 | Submission Open
Keywords: organometallic compounds; design and synthesis; transition metal complexes; catalysis; metal coordination; catalytic applications; mechanisms; organic–inorganic hybrid compounds
(This special issue belongs to the Section Organometallic Chemistry)
Functional Molecules as Novel Cosmetic Ingredients, 2nd Edition
edited by Jing Wang and
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2503 | Submission Open
Keywords: synthetic molecules; plant extracts; natural compounds; biotech-derived molecules; natural-derived molecules; fermentation-derived ingredients; biological activity; cosmetics; encapsulation and delivery technologies of ingredients; skin-care; hair-care
(This special issue belongs to the Section Applied Chemistry)
Immunomodulatory and Anti-Inflammatory Activities of Natural Compounds with Adaptogenic Potential
edited by Daniel Załuski and
submission deadline 31 Dec 2026 | 2 articles | Viewed by 2499 | Submission Open
Keywords: adaptogens; immunomodulation; inflammation; phytochemicals; herbal medicine; cytokines; oxidative stress
(This special issue belongs to the Section Medicinal Chemistry)
Foam and Emulsion Systems: Stability, Rheology, and Applications
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2408 | Submission Open
Keywords: foams; emulsions; interfacial stability; rheology; soft matter; applications
Metal–Halide Perovskites for Solar Cell and LED Materials
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2337 | 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 Phytochemicals: Their Structure, Biological Activities and Health-Promoting Effects
edited by and Samireh Jorfi
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2336 | Submission Open
Keywords: phytochemicals; medicinal/culinary plants; bioactive properties; health benefits
(This special issue belongs to the Section Natural Products Chemistry)
Fullerene and Its Application
edited by , and Yuriy Prylutskyy
submission deadline 31 Dec 2026 | 3 articles | Viewed by 2280 | Submission Open
Keywords: fullerene; fullerene-based nanomaterials; computer simulation; synthesis and physicochemical characterization; biomedical application
(This special issue belongs to the Section Applied Chemistry)
Bioactive Metabolites from Marine Invertebrates and Their Associated Microorganisms—in Celebration of Professors Longmei Zeng and Jingyu Su’s 95th Birthday
edited by , and Shihai Xu
submission deadline 31 Dec 2026 | 1 articles | Viewed by 2260 | Submission Open
Keywords: marine organisms; bioactive metabolites; marine invertebrates and their associated microorganisms
(This special issue belongs to the Section Natural Products Chemistry)
Functional Molecules Design for Nutrition Health
edited by and
submission deadline 31 Dec 2026 | 2 articles | Viewed by 2240 | Submission Open
Keywords: molecule design; biological activity; nutrition and health; personalized nutrition protocols; precision therapeutic methods
(This special issue belongs to the Section Materials Chemistry)
Innovative Technologies for Food Processing and Preservation submission deadline 31 Dec 2026 | 2 articles | Viewed by 2236 | Submission Open
Keywords: innovative food processing technologies; food preservation; food safety and quality; food sustainability; shelf-life extension; microbial inactivation; bioactive compounds
(This special issue belongs to the Section Food Chemistry)
Advances in Lactam Chemistry: From Synthetic Strategies to Biological Applications
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 2097 | Submission Open
Keywords: lactams; sustainable synthesis; structure–activity relationship (SAR); drug discovery; β-lactam analogues; heterocyclic chemistry; therapeutic applications; antimicrobial and anticancer agents
(This special issue belongs to the Section Organic Chemistry)
Advances in Density Functional Theory (DFT) Calculation, 2nd Edition submission deadline 31 Dec 2026 | 4 articles | Viewed by 2095 | Submission Open
Keywords: DFT; theoretical and computational chemistry; new functional materials; calculations of new materials and catalysts; characterization of the catalytic materials; non-covalent interactions (NCI); biological activities; electronic properties; kinetics and catalysis; QTAIM
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Bioactive Molecules from Natural Reservoirs: Discovery, Synthesis, and Translational Applications in Health and Food
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 2026 | Submission Open
Keywords: bioactive molecules; medicinal and edible plants; microorganisms; synthesis; bioactive mechanisms; human health; food quality control
(This special issue belongs to the Section Natural Products Chemistry)
Deep Eutectic Solvents: Properties, Applications and Perspectives submission deadline 31 Dec 2026 | 2 articles | Viewed by 2010 | Submission Open
Keywords: green chemistry; deep eutectic systems; physico-chemical properties; thermodynamic modelling; application development; extraction; biocatalysis; CO2 capture; electrochemistry
(This special issue belongs to the Section Green Chemistry)
Recent Advances in Peptide Assembly and Bioactivity
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1998 | Submission Open
Keywords: peptide; self-assembly; co-assembly; stimuli-responsive; bioactivity; biomaterials
(This special issue belongs to the Section Bioorganic Chemistry)
Progress in Green Analytical Methods for the Detection of Trace Substances in Complex Matrices submission deadline 31 Dec 2026 | 2 articles | Viewed by 1937 | Submission Open
Keywords: green analytical chemistry; greenness evaluation metrics; integrated analytical platforms; miniaturized sample preparation; green materials for sample pre-treatment; on-line and in-line sampling; automatization
(This special issue belongs to the Section Analytical Chemistry)
Synthesis and Characterization of Hybrid Biomaterials for Life Sciences submission deadline 31 Dec 2026 | 2 articles | Viewed by 1931 | Submission Open
Keywords: hybrid material; biomaterials; drug release; antimicrobial test; chemical characterization; natural polymers; bioactivity assessment; bioactivity
(This special issue belongs to the Section Materials Chemistry)
Organic and Inorganic Luminescent Materials, 3rd Edition
edited by , Dan Zou and Xibao Zhang
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1835 | Submission Open
Keywords: luminescent; material; organic; inorganic; OLED; organic light-emitting diode; carbon dot; perovskite; aggregation-induced emission; AIE; thermally activated delayed fluorescence emitter; TADF; mechanism; design; application; process; display; lighting; detection; monitoring
(This special issue belongs to the Section Applied Chemistry)
Exploring Physical Chemistry Processes in Chemical Engineering: From Analysis to Application submission deadline 31 Dec 2026 | 2 articles | Viewed by 1775 | Submission Open
Keywords: physical chemistry in chemical engineering; thermodynamics and phase behavior; reaction kinetics and catalysis; surface and interfacial phenomena; molecular interactions and transport; separation and adsorption processes; modeling and simulation; energy and sustainable processes
(This special issue belongs to the Section Physical Chemistry)
Mechanisms of Chronic Diseases and Intervention Strategies: The Role of Bioactive Compounds in Foods and Herbal Extracts
edited by and Xiang Li
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1672 | Submission Open
Keywords: chronic diseases; multi-target intervention; bioactive compounds; herbal extracts; omics technologies; multi-target modulation
(This special issue belongs to the Section Natural Products Chemistry)
Sprouts and Microgreens as Functional Foods: Phytochemistry, Mechanisms of Action, and Biological Activity
edited by
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1639 | Submission Open
Keywords: sprouts; microgreens; phytochemicals; abiotic stress; LED light; bioactive compounds; antioxidant activity; in vitro studies; functional foods
(This special issue belongs to the Section Natural Products Chemistry)
One Health Drugs Against Vector-Borne Parasitic Diseases—a Sustainable Chemical/Biological Approach submission deadline 31 Dec 2026 | 1 articles | Viewed by 1567 | Submission Open
Keywords: vector-borne diseases; parasitic diseases; antiparasitic drugs; transmission-blocking drugs; chemotherapy; drug resistance; drug repurposing; pharmacokinetics; natural products; organic production; host-directed therapy; combination therapy; in vitro/in vivo models; drug delivery systems; nanomedicine; pharmacodynamics
(This special issue belongs to the Section Medicinal Chemistry)
Functional Polysaccharide Systems: From Molecular Interactions to Innovative Applications
edited by Sławomir Pietrzyk and Karolina Królikowska
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1561 | Submission Open
Keywords: functional polysaccharide systems; molecular interactions; structure–function relationships; interactions with other components; polymer modification; innovative applications in food and biotechnology
(This special issue belongs to the Section Food Chemistry)
Advances in the Synthesis of Heterocyclic Compounds and Their Applications, 2nd Edition
edited by and Ionel Mangalagiu
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1530 | Submission Open
Keywords: biomimetics and new chemical entities (NCEs); domino reactions; "intelligent" molecules; iterative synthesis; multicomponent reactions; organic (nano-)materials; organo-catalytic systems; selective processes; total synthesis; unconventional methods and techniques
(This special issue belongs to the Section Organic Chemistry)
Molecular Dynamics Simulations: Applications and Advances
edited by and Godehard Sutmann
submission deadline 31 Dec 2026 | 1 articles | Viewed by 1462 | Submission Open
Keywords: force fields and interaction models; ab initio molecular dynamics for ground and excited states: adiabatic and non-adiabatic approaches; adaptive potentials and hybrid interactions; enhanced sampling techniques; free energy calculations and related methods; hybrid and multiscale modeling; integrators and thermostat/barostat algorithms; machine learning and AI in molecular dynamics; applications of MD in life sciences, materials, and energy; system preparation and velocity assignment; trajectory, structural, kinetic, and dynamic analysis; hardware acceleration, parallelization, and software development
(This special issue belongs to the Section Computational and Theoretical Chemistry)
Novel Functional Crystalline Materials: Structure, Properties, and Application
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1436 | Submission Open
Keywords: functional crystalline materials; structure-property relationships; metal–organic frameworks (MOFs); covalent organic frameworks (COFs); hybrid perovskites; photonics and optoelectronics; energy storage and conversion; biomaterials applications
(This special issue belongs to the Section Materials Chemistry)
Recent Advances in Fermentation in Food Chemistry
edited by
submission deadline 31 Dec 2026 | 2 articles | Viewed by 1381 | Submission Open
Keywords: fermentation; functional foods; fermented beverages; lactic acid fermentation; ethanol fermentation; bioactive compounds; food microbiology
(This special issue belongs to the Section Food Chemistry)
Advances in Remediation Methods of Pharmaceutical Pollutants in Water submission deadline 31 Dec 2026 | 1 articles | Viewed by 1361 | Submission Open
Keywords: drug pollutants; advanced oxidation processes; water treatment; electrochemical methods; photodegradation; degradation pathways; mineralization; toxicity assessment
(This special issue belongs to the Section Green Chemistry)
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